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 2wxh_1_A DATA FIRST_RESID 109 DATA SEQUENCE VKKLINSQIS LLIGKGLHEF DSLRDPEVND FRTKMRQFCE EAAAHRQQLG DATA SEQUENCE WVEWLQYSFP LQLEPXXXXX XXXXXXXXNR ALLVNVKFEG SEESFTFQVS DATA SEQUENCE TKDMPLALMA CALRKKATVF RQXXXXQPEE YALQVNGRHE YLYGNYPLCH DATA SEQUENCE FQYICSCLHS GLTPHLTMVH SSSILAMRDE QSNXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXLWS LEQPFSIELI EGRKVNAXXX MKLVVQAGLF HGNEMLCKTV DATA SEQUENCE SSSEVNVCSE PVWKQRLEFD ISVCDLPRMA RLCFALYAVV XXXXXXXXXX DATA SEQUENCE XXXXXXDCPI AWANLMLFDY KDQLKTGERC LYMWPSVXXX XXXLLNPAGT DATA SEQUENCE VRGNPNTESA AALVIYLPEV AXXPVYFPAL EKILELXXXX XXXXXXXXXX DATA SEQUENCE XXLREILERX XXXELYEHEK DLVWKMRHEV QEHFPEALAR LLLVTKWNKH DATA SEQUENCE EDVAQMLYLL CSWPELPVLS ALELLDFSFP DCYVGSFAIK SLRKLTDDEL DATA SEQUENCE FQYLLQLVQV LKYESYLDCE LTKFLLGRAL ANRKIGHFLF WHLRSEMHVP DATA SEQUENCE SVALRFGLIM EAYCRGSTHH MKVLMKQGEA LSKLKALNDF VKVSSQKTTK DATA SEQUENCE PQTKEMMHMC MRQETYMEAL SHLQSPLDPS TLLEEVCVEQ CTFMDSKMKP DATA SEQUENCE LWIMYSSEEA GSAGNVGIIF KNGDDLRQDM LTLQMIQLMD VLWKQEGLDL DATA SEQUENCE RMTPYGCLPT GDRTGLIEVV LHSDTIANIQ LNKSNMAATA AFNKDALLNW DATA SEQUENCE LKSKNPGEAL DRAIEEFTLS CAGYCVATYV LGIGDRHSDN IMIRESGQLF DATA SEQUENCE HIDFGHFLGN FXXXXXXXXX RVPFILTYDF VHVIQQGKTN NSEKFERFRG DATA SEQUENCE YCERAYTILR RHGLLFLHLF ALMRAAGLPE LSCSKDIQYL KDSLALGKTE DATA SEQUENCE EEALKHFRVK FNEALRESW 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 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.100 176.094 0.010 0.000 1.182 109 V CA 0.000 62.304 62.300 0.007 0.000 1.235 109 V CB 0.000 31.826 31.823 0.005 0.000 1.184 110 K N 2.221 122.628 120.400 0.012 0.000 2.097 110 K HA -0.155 4.166 4.320 0.002 0.000 0.206 110 K C 1.788 178.401 176.600 0.021 0.000 1.049 110 K CA 2.545 58.842 56.287 0.016 0.000 0.933 110 K CB -0.206 32.304 32.500 0.017 0.000 0.717 110 K HN 0.395 nan 8.250 nan 0.000 0.442 111 K N 0.238 120.650 120.400 0.020 0.000 2.097 111 K HA -0.100 4.221 4.320 0.002 0.000 0.206 111 K C 1.966 178.578 176.600 0.021 0.000 1.049 111 K CA 1.339 57.639 56.287 0.022 0.000 0.933 111 K CB -0.399 32.111 32.500 0.017 0.000 0.717 111 K HN 0.238 nan 8.250 nan 0.000 0.442 112 L N 0.747 121.979 121.223 0.015 0.000 2.017 112 L HA -0.028 4.314 4.340 0.002 0.000 0.208 112 L C 1.980 178.859 176.870 0.014 0.000 1.073 112 L CA 1.608 56.455 54.840 0.012 0.000 0.745 112 L CB -0.288 41.776 42.059 0.008 0.000 0.894 112 L HN 0.286 nan 8.230 nan 0.000 0.432 113 I N -0.085 120.494 120.570 0.015 0.000 2.226 113 I HA -0.301 3.870 4.170 0.002 0.000 0.245 113 I C 2.120 178.253 176.117 0.028 0.000 1.100 113 I CA 1.183 62.493 61.300 0.015 0.000 1.374 113 I CB -0.592 37.416 38.000 0.013 0.000 1.057 113 I HN 0.395 nan 8.210 nan 0.000 0.413 114 N N 0.733 119.455 118.700 0.037 0.000 2.104 114 N HA -0.171 4.570 4.740 0.002 0.000 0.190 114 N C 2.081 177.622 175.510 0.051 0.000 1.024 114 N CA 1.979 55.060 53.050 0.052 0.000 0.853 114 N CB -0.411 38.111 38.487 0.058 0.000 1.008 114 N HN 0.421 nan 8.380 nan 0.000 0.424 115 S N 0.401 116.124 115.700 0.039 0.000 2.387 115 S HA -0.080 4.392 4.470 0.002 0.000 0.226 115 S C 1.834 176.452 174.600 0.030 0.000 1.026 115 S CA 0.689 58.911 58.200 0.037 0.000 0.972 115 S CB -0.332 62.885 63.200 0.028 0.000 0.814 115 S HN 0.309 nan 8.310 nan 0.000 0.477 116 Q N 0.762 120.575 119.800 0.022 0.000 2.084 116 Q HA 0.041 4.382 4.340 0.002 0.000 0.202 116 Q C 2.227 178.238 176.000 0.018 0.000 0.978 116 Q CA 1.656 57.466 55.803 0.012 0.000 0.844 116 Q CB -0.462 28.275 28.738 -0.002 0.000 0.898 116 Q HN 0.614 nan 8.270 nan 0.000 0.426 117 I N 0.311 120.901 120.570 0.033 0.000 2.179 117 I HA -0.290 3.881 4.170 0.002 0.000 0.242 117 I C 2.310 178.466 176.117 0.066 0.000 1.088 117 I CA 0.952 62.287 61.300 0.057 0.000 1.357 117 I CB -0.263 37.787 38.000 0.083 0.000 1.051 117 I HN 0.088 nan 8.210 nan 0.000 0.409 118 S N 0.868 116.599 115.700 0.052 0.000 2.365 118 S HA -0.232 4.240 4.470 0.002 0.000 0.225 118 S C 1.934 176.553 174.600 0.031 0.000 1.039 118 S CA 1.655 59.872 58.200 0.027 0.000 1.033 118 S CB -0.520 62.697 63.200 0.028 0.000 0.887 118 S HN 0.320 nan 8.310 nan 0.000 0.447 119 L N 1.210 122.456 121.223 0.037 0.000 2.056 119 L HA 0.033 4.374 4.340 0.002 0.000 0.207 119 L C 2.105 179.008 176.870 0.056 0.000 1.078 119 L CA 1.331 56.195 54.840 0.040 0.000 0.749 119 L CB -0.591 41.487 42.059 0.031 0.000 0.901 119 L HN 0.285 nan 8.230 nan 0.000 0.433 120 L N 0.120 121.375 121.223 0.054 0.000 2.017 120 L HA -0.156 4.185 4.340 0.002 0.000 0.208 120 L C 2.243 179.204 176.870 0.151 0.000 1.073 120 L CA 2.263 57.148 54.840 0.075 0.000 0.745 120 L CB -0.636 41.427 42.059 0.006 0.000 0.894 120 L HN 0.487 nan 8.230 nan 0.000 0.432 121 I N -3.793 116.856 120.570 0.133 0.000 3.428 121 I HA 0.305 4.476 4.170 0.002 0.000 0.286 121 I C 1.514 177.670 176.117 0.065 0.000 1.287 121 I CA 0.660 62.033 61.300 0.121 0.000 1.396 121 I CB -0.708 37.381 38.000 0.149 0.000 1.062 121 I HN 0.377 nan 8.210 nan 0.000 0.471 122 G N 1.818 110.654 108.800 0.059 0.000 2.148 122 G HA2 -0.323 3.638 3.960 0.002 0.000 0.254 122 G HA3 -0.323 3.638 3.960 0.002 0.000 0.254 122 G C 0.109 175.009 174.900 0.000 0.000 0.981 122 G CA 0.521 45.647 45.100 0.042 0.000 0.670 122 G HN 0.626 nan 8.290 nan 0.000 0.528 123 K N -0.067 120.309 120.400 -0.040 0.000 2.513 123 K HA 0.567 4.888 4.320 0.002 0.000 0.251 123 K C 0.544 176.997 176.600 -0.245 0.000 0.939 123 K CA -0.276 55.916 56.287 -0.159 0.000 0.793 123 K CB 1.256 33.635 32.500 -0.202 0.000 1.241 123 K HN 0.445 nan 8.250 nan 0.000 0.431 124 G N 3.734 112.340 108.800 -0.323 0.000 2.378 124 G HA2 0.134 4.095 3.960 0.002 0.000 0.255 124 G HA3 0.134 4.095 3.960 0.002 0.000 0.255 124 G C 0.900 175.431 174.900 -0.616 0.000 1.270 124 G CA -0.416 44.466 45.100 -0.362 0.000 0.876 124 G HN 0.688 nan 8.290 nan 0.000 0.521 125 L N 1.728 122.774 121.223 -0.296 0.000 2.265 125 L HA -0.127 4.214 4.340 0.002 0.000 0.215 125 L C 2.602 179.369 176.870 -0.173 0.000 1.117 125 L CA 1.489 56.206 54.840 -0.205 0.000 0.782 125 L CB -0.514 41.595 42.059 0.083 0.000 0.914 125 L HN 0.933 nan 8.230 nan 0.000 0.441 126 H N -1.176 117.843 119.070 -0.085 0.000 2.456 126 H HA -0.111 4.446 4.556 0.001 0.000 0.296 126 H C 1.774 177.063 175.328 -0.065 0.000 1.079 126 H CA 1.009 57.032 56.048 -0.041 0.000 1.322 126 H CB -0.377 29.364 29.762 -0.035 0.000 1.388 126 H HN 0.368 nan 8.280 nan 0.000 0.538 127 E N 0.197 119.986 120.200 -0.686 0.000 2.150 127 E HA -0.097 4.254 4.350 0.002 0.000 0.193 127 E C 1.181 177.661 176.600 -0.201 0.000 0.985 127 E CA 0.805 56.939 56.400 -0.444 0.000 0.814 127 E CB -0.114 29.238 29.700 -0.581 0.000 0.752 127 E HN 0.451 nan 8.360 nan 0.000 0.466 128 F N 1.956 121.853 119.950 -0.089 0.000 2.134 128 F HA -0.155 4.373 4.527 0.002 0.000 0.299 128 F C 2.020 177.819 175.800 -0.001 0.000 1.097 128 F CA 0.923 58.904 58.000 -0.030 0.000 1.264 128 F CB -0.740 38.259 39.000 -0.003 0.000 1.001 128 F HN -0.061 nan 8.300 nan 0.000 0.479 129 D N -0.328 120.186 120.400 0.189 0.000 2.117 129 D HA -0.136 4.505 4.640 0.002 0.000 0.197 129 D C 2.343 178.702 176.300 0.097 0.000 0.987 129 D CA 1.522 55.602 54.000 0.134 0.000 0.829 129 D CB -0.618 40.254 40.800 0.120 0.000 0.961 129 D HN 0.141 nan 8.370 nan 0.000 0.460 130 S N 0.274 116.021 115.700 0.079 0.000 2.442 130 S HA -0.043 4.428 4.470 0.002 0.000 0.236 130 S C 2.078 176.707 174.600 0.047 0.000 1.007 130 S CA 0.273 58.509 58.200 0.059 0.000 0.965 130 S CB -0.123 63.109 63.200 0.052 0.000 0.773 130 S HN 0.272 nan 8.310 nan 0.000 0.504 131 L N 1.026 122.285 121.223 0.058 0.000 2.275 131 L HA 0.037 4.378 4.340 0.002 0.000 0.215 131 L C 0.769 177.669 176.870 0.049 0.000 1.119 131 L CA 0.392 55.261 54.840 0.048 0.000 0.790 131 L CB -0.460 41.637 42.059 0.063 0.000 0.919 131 L HN 0.234 nan 8.230 nan 0.000 0.443 132 R N 0.201 120.736 120.500 0.059 0.000 3.484 132 R HA -0.214 4.127 4.340 0.002 0.000 0.260 132 R C -0.210 176.123 176.300 0.055 0.000 1.053 132 R CA 0.716 56.850 56.100 0.057 0.000 0.703 132 R CB -2.453 27.877 30.300 0.051 0.000 1.089 132 R HN 0.356 nan 8.270 nan 0.000 0.459 133 D N 0.353 120.782 120.400 0.049 0.000 2.359 133 D HA 0.266 4.907 4.640 0.002 0.000 0.230 133 D C -1.433 174.882 176.300 0.026 0.000 1.118 133 D CA -2.657 51.363 54.000 0.034 0.000 0.844 133 D CB 1.462 42.270 40.800 0.012 0.000 1.059 133 D HN -0.111 nan 8.370 nan 0.000 0.493 134 P HA -0.164 nan 4.420 nan 0.000 0.216 134 P C 1.101 178.395 177.300 -0.010 0.000 1.153 134 P CA 1.031 64.184 63.100 0.090 0.000 0.858 134 P CB 0.360 32.177 31.700 0.196 0.000 0.789 135 E N -0.460 119.578 120.200 -0.270 0.000 2.077 135 E HA -0.139 4.212 4.350 0.002 0.000 0.193 135 E C 1.833 178.291 176.600 -0.238 0.000 0.989 135 E CA 1.062 57.050 56.400 -0.687 0.000 0.800 135 E CB -0.305 28.840 29.700 -0.926 0.000 0.746 135 E HN -0.051 nan 8.360 nan 0.000 0.452 136 V N 1.933 121.768 119.914 -0.131 0.000 2.295 136 V HA -0.277 3.844 4.120 0.002 0.000 0.246 136 V C 2.035 178.141 176.094 0.020 0.000 1.049 136 V CA 1.953 64.215 62.300 -0.064 0.000 1.024 136 V CB -0.681 31.108 31.823 -0.057 0.000 0.648 136 V HN 0.312 nan 8.190 nan 0.000 0.447 137 N N 0.473 119.191 118.700 0.029 0.000 2.069 137 N HA -0.175 4.566 4.740 0.002 0.000 0.191 137 N C 1.559 177.112 175.510 0.073 0.000 1.031 137 N CA 1.814 54.900 53.050 0.059 0.000 0.852 137 N CB -0.582 37.946 38.487 0.067 0.000 1.018 137 N HN 0.478 nan 8.380 nan 0.000 0.423 138 D N 0.040 120.491 120.400 0.085 0.000 2.097 138 D HA -0.115 4.527 4.640 0.002 0.000 0.195 138 D C 1.782 178.135 176.300 0.089 0.000 0.989 138 D CA 0.426 54.490 54.000 0.107 0.000 0.827 138 D CB -0.554 40.364 40.800 0.197 0.000 0.966 138 D HN 0.193 nan 8.370 nan 0.000 0.456 139 F N 2.098 122.026 119.950 -0.037 0.000 2.065 139 F HA -0.247 4.280 4.527 0.001 0.000 0.298 139 F C 2.401 178.176 175.800 -0.042 0.000 1.112 139 F CA 1.731 59.703 58.000 -0.047 0.000 1.212 139 F CB -0.016 38.930 39.000 -0.090 0.000 0.975 139 F HN -0.191 nan 8.300 nan 0.000 0.476 140 R N -0.440 120.140 120.500 0.133 0.000 2.083 140 R HA -0.187 4.154 4.340 0.002 0.000 0.237 140 R C 2.417 178.690 176.300 -0.045 0.000 1.137 140 R CA 2.303 58.425 56.100 0.036 0.000 0.951 140 R CB -1.179 29.155 30.300 0.057 0.000 0.851 140 R HN 0.532 nan 8.270 nan 0.000 0.434 141 T N -0.628 113.917 114.554 -0.016 0.000 2.812 141 T HA -0.119 4.232 4.350 0.002 0.000 0.264 141 T C 1.937 176.612 174.700 -0.042 0.000 1.042 141 T CA 1.204 63.296 62.100 -0.013 0.000 1.140 141 T CB -0.040 68.838 68.868 0.016 0.000 0.870 141 T HN 0.017 nan 8.240 nan 0.000 0.445 142 K N 0.382 120.738 120.400 -0.074 0.000 2.026 142 K HA 0.079 4.400 4.320 0.002 0.000 0.208 142 K C 2.403 178.938 176.600 -0.109 0.000 1.048 142 K CA 1.445 57.682 56.287 -0.083 0.000 0.929 142 K CB -0.362 32.077 32.500 -0.102 0.000 0.713 142 K HN 0.246 nan 8.250 nan 0.000 0.439 143 M N 0.110 119.549 119.600 -0.269 0.000 2.254 143 M HA -0.048 4.433 4.480 0.002 0.000 0.265 143 M C 2.120 178.390 176.300 -0.050 0.000 1.066 143 M CA 1.304 56.456 55.300 -0.247 0.000 1.123 143 M CB -0.743 31.460 32.600 -0.662 0.000 1.388 143 M HN 0.196 nan 8.290 nan 0.000 0.425 144 R N 0.270 120.733 120.500 -0.062 0.000 2.081 144 R HA -0.200 4.141 4.340 0.002 0.000 0.235 144 R C 2.185 178.485 176.300 -0.000 0.000 1.131 144 R CA 1.781 57.873 56.100 -0.013 0.000 0.960 144 R CB -0.161 30.135 30.300 -0.007 0.000 0.856 144 R HN 0.427 nan 8.270 nan 0.000 0.436 145 Q N -0.497 119.309 119.800 0.009 0.000 2.020 145 Q HA -0.219 4.123 4.340 0.002 0.000 0.202 145 Q C 1.887 177.908 176.000 0.034 0.000 0.982 145 Q CA 2.078 57.892 55.803 0.017 0.000 0.838 145 Q CB -0.265 28.488 28.738 0.025 0.000 0.899 145 Q HN 0.378 nan 8.270 nan 0.000 0.423 146 F N 0.338 120.244 119.950 -0.074 0.000 2.091 146 F HA -0.318 4.210 4.527 0.002 0.000 0.299 146 F C 2.107 177.871 175.800 -0.061 0.000 1.103 146 F CA 1.688 59.648 58.000 -0.067 0.000 1.228 146 F CB -0.637 38.315 39.000 -0.080 0.000 0.984 146 F HN 0.209 nan 8.300 nan 0.000 0.477 147 C N 0.401 119.651 119.300 -0.084 0.000 2.440 147 C HA -0.117 4.344 4.460 0.002 0.000 0.278 147 C C 2.615 177.489 174.990 -0.194 0.000 1.295 147 C CA 1.154 60.066 59.018 -0.176 0.000 1.738 147 C CB -1.225 26.501 27.740 -0.024 0.000 1.987 147 C HN 0.535 nan 8.230 nan 0.000 0.492 148 E N 0.700 120.825 120.200 -0.125 0.000 2.150 148 E HA -0.188 4.163 4.350 0.002 0.000 0.193 148 E C 2.014 178.538 176.600 -0.126 0.000 0.985 148 E CA 1.008 57.344 56.400 -0.107 0.000 0.814 148 E CB -0.136 29.526 29.700 -0.063 0.000 0.752 148 E HN 0.667 nan 8.360 nan 0.000 0.466 149 E N 0.505 120.611 120.200 -0.156 0.000 2.106 149 E HA -0.172 4.179 4.350 0.002 0.000 0.192 149 E C 2.057 178.544 176.600 -0.189 0.000 0.984 149 E CA 0.850 57.157 56.400 -0.154 0.000 0.806 149 E CB -0.075 29.533 29.700 -0.154 0.000 0.750 149 E HN 0.226 nan 8.360 nan 0.000 0.458 150 A N 1.480 124.114 122.820 -0.309 0.000 1.902 150 A HA -0.141 4.180 4.320 0.002 0.000 0.217 150 A C 2.403 179.889 177.584 -0.164 0.000 1.181 150 A CA 1.700 53.565 52.037 -0.286 0.000 0.623 150 A CB -0.697 18.061 19.000 -0.404 0.000 0.818 150 A HN 0.300 nan 8.150 nan 0.000 0.443 151 A N -0.238 122.480 122.820 -0.169 0.000 1.933 151 A HA 0.146 4.467 4.320 0.002 0.000 0.218 151 A C 2.468 179.991 177.584 -0.100 0.000 1.175 151 A CA 2.104 54.057 52.037 -0.140 0.000 0.628 151 A CB -0.905 18.020 19.000 -0.126 0.000 0.814 151 A HN 1.027 nan 8.150 nan 0.000 0.444 152 A N -0.880 121.894 122.820 -0.078 0.000 1.873 152 A HA -0.139 4.182 4.320 0.002 0.000 0.215 152 A C 1.988 179.549 177.584 -0.038 0.000 1.186 152 A CA 1.948 53.951 52.037 -0.056 0.000 0.616 152 A CB -0.947 18.026 19.000 -0.046 0.000 0.823 152 A HN 0.781 nan 8.150 nan 0.000 0.442 153 H N -0.330 118.667 119.070 -0.121 0.000 2.353 153 H HA -0.158 4.399 4.556 0.001 0.000 0.298 153 H C 2.196 177.453 175.328 -0.118 0.000 1.103 153 H CA 2.191 58.172 56.048 -0.112 0.000 1.293 153 H CB -0.100 29.587 29.762 -0.125 0.000 1.372 153 H HN 0.456 nan 8.280 nan 0.000 0.501 154 R N -0.336 120.097 120.500 -0.113 0.000 2.092 154 R HA -0.091 4.250 4.340 0.002 0.000 0.231 154 R C 1.915 178.138 176.300 -0.127 0.000 1.119 154 R CA 1.338 57.319 56.100 -0.197 0.000 0.970 154 R CB 0.129 30.245 30.300 -0.308 0.000 0.864 154 R HN 0.355 nan 8.270 nan 0.000 0.440 155 Q N 0.394 120.127 119.800 -0.113 0.000 2.436 155 Q HA -0.141 4.200 4.340 0.002 0.000 0.209 155 Q C 1.070 176.997 176.000 -0.121 0.000 0.965 155 Q CA 1.203 56.944 55.803 -0.104 0.000 0.910 155 Q CB 0.387 29.066 28.738 -0.099 0.000 0.980 155 Q HN 0.689 nan 8.270 nan 0.000 0.491 156 Q N -0.995 118.721 119.800 -0.140 0.000 2.194 156 Q HA 0.242 4.583 4.340 0.002 0.000 0.214 156 Q C 0.125 176.035 176.000 -0.150 0.000 0.838 156 Q CA -0.211 55.511 55.803 -0.136 0.000 0.972 156 Q CB 0.115 28.778 28.738 -0.124 0.000 1.131 156 Q HN 0.145 nan 8.270 nan 0.000 0.498 157 L N 2.377 123.504 121.223 -0.160 0.000 2.543 157 L HA 0.098 4.439 4.340 0.002 0.000 0.285 157 L C 1.036 177.874 176.870 -0.053 0.000 1.236 157 L CA 0.247 55.010 54.840 -0.128 0.000 0.871 157 L CB 0.176 42.201 42.059 -0.056 0.000 1.121 157 L HN 0.307 nan 8.230 nan 0.000 0.501 158 G N 2.520 111.277 108.800 -0.071 0.000 2.664 158 G HA2 -0.105 3.856 3.960 0.002 0.000 0.242 158 G HA3 -0.105 3.856 3.960 0.002 0.000 0.242 158 G C 0.806 175.697 174.900 -0.016 0.000 1.225 158 G CA -0.185 44.882 45.100 -0.056 0.000 0.849 158 G HN 1.048 nan 8.290 nan 0.000 0.581 159 W N 0.667 121.930 121.300 -0.062 0.000 2.363 159 W HA -0.117 4.544 4.660 0.001 0.000 0.296 159 W C 1.281 177.772 176.519 -0.046 0.000 1.212 159 W CA 1.220 58.531 57.345 -0.057 0.000 1.260 159 W CB -1.152 28.230 29.460 -0.131 0.000 1.131 159 W HN 0.200 nan 8.180 nan 0.000 0.530 160 V N 2.032 121.419 119.914 -0.878 0.000 2.358 160 V HA -0.274 3.847 4.120 0.002 0.000 0.246 160 V C 2.479 178.358 176.094 -0.359 0.000 1.047 160 V CA 2.425 64.238 62.300 -0.811 0.000 1.035 160 V CB -0.897 30.367 31.823 -0.932 0.000 0.658 160 V HN 0.115 nan 8.190 nan 0.000 0.452 161 E N -0.614 119.449 120.200 -0.229 0.000 2.153 161 E HA -0.239 4.112 4.350 0.002 0.000 0.194 161 E C 1.986 178.581 176.600 -0.008 0.000 0.988 161 E CA 1.436 57.779 56.400 -0.094 0.000 0.811 161 E CB -0.210 29.442 29.700 -0.080 0.000 0.746 161 E HN 0.802 nan 8.360 nan 0.000 0.466 162 W N 1.643 122.875 121.300 -0.114 0.000 2.381 162 W HA -0.159 4.501 4.660 -0.000 0.000 0.301 162 W C 1.553 178.043 176.519 -0.048 0.000 1.205 162 W CA 1.004 58.321 57.345 -0.047 0.000 1.285 162 W CB -0.348 29.085 29.460 -0.044 0.000 1.133 162 W HN 0.065 nan 8.180 nan 0.000 0.521 163 L N 0.925 122.140 121.223 -0.014 0.000 2.013 163 L HA -0.312 4.029 4.340 0.002 0.000 0.212 163 L C 2.843 179.624 176.870 -0.149 0.000 1.073 163 L CA 1.938 56.691 54.840 -0.145 0.000 0.753 163 L CB -0.985 40.816 42.059 -0.429 0.000 0.890 163 L HN 0.047 nan 8.230 nan 0.000 0.432 164 Q N -1.393 118.345 119.800 -0.102 0.000 2.135 164 Q HA -0.270 4.071 4.340 0.002 0.000 0.204 164 Q C 2.039 177.978 176.000 -0.102 0.000 0.981 164 Q CA 2.073 57.893 55.803 0.029 0.000 0.856 164 Q CB -0.269 28.499 28.738 0.050 0.000 0.902 164 Q HN 0.522 nan 8.270 nan 0.000 0.425 165 Y N -0.005 120.098 120.300 -0.328 0.000 2.133 165 Y HA -0.181 4.369 4.550 0.000 0.000 0.287 165 Y C 2.493 178.020 175.900 -0.621 0.000 1.134 165 Y CA 1.779 59.615 58.100 -0.440 0.000 1.133 165 Y CB -0.437 37.709 38.460 -0.522 0.000 0.987 165 Y HN -0.027 nan 8.280 nan 0.000 0.502 166 S N -1.105 113.794 115.700 -1.335 0.000 2.439 166 S HA 0.092 4.563 4.470 0.002 0.000 0.224 166 S C -0.003 173.796 174.600 -1.334 0.000 1.029 166 S CA 0.218 57.383 58.200 -1.725 0.000 0.946 166 S CB -0.335 61.603 63.200 -2.102 0.000 0.797 166 S HN 0.282 nan 8.310 nan 0.000 0.504 167 F N 2.509 122.251 119.950 -0.348 0.000 2.523 167 F HA 0.492 5.019 4.527 0.001 0.000 0.322 167 F C -2.729 173.088 175.800 0.028 0.000 1.361 167 F CA -2.968 54.983 58.000 -0.082 0.000 1.151 167 F CB 0.492 39.548 39.000 0.093 0.000 1.391 167 F HN -0.018 nan 8.300 nan 0.000 0.566 168 P HA -0.001 nan 4.420 nan 0.000 0.266 168 P C 0.208 177.541 177.300 0.055 0.000 1.195 168 P CA 0.025 63.150 63.100 0.042 0.000 0.768 168 P CB 0.944 32.602 31.700 -0.071 0.000 0.838 169 L N 2.687 123.907 121.223 -0.006 0.000 2.490 169 L HA 0.004 4.345 4.340 0.002 0.000 0.274 169 L C 1.060 177.876 176.870 -0.089 0.000 1.201 169 L CA 0.506 55.280 54.840 -0.111 0.000 0.869 169 L CB -0.254 41.634 42.059 -0.286 0.000 1.123 169 L HN 0.329 nan 8.230 nan 0.000 0.484 170 Q N 4.871 124.655 119.800 -0.027 0.000 2.466 170 Q HA 0.488 4.829 4.340 0.002 0.000 0.242 170 Q C -1.036 174.925 176.000 -0.063 0.000 1.046 170 Q CA -0.184 55.603 55.803 -0.027 0.000 0.841 170 Q CB 1.282 30.040 28.738 0.033 0.000 1.193 170 Q HN 0.497 nan 8.270 nan 0.000 0.508 171 L N 1.055 122.175 121.223 -0.171 0.000 2.334 171 L HA 0.438 4.779 4.340 0.002 0.000 0.272 171 L C 0.479 177.255 176.870 -0.157 0.000 1.020 171 L CA -1.195 53.485 54.840 -0.267 0.000 0.812 171 L CB 1.316 43.114 42.059 -0.435 0.000 1.264 171 L HN 0.393 nan 8.230 nan 0.000 0.439 172 E N 1.642 121.753 120.200 -0.148 0.000 2.392 172 E HA 0.209 4.560 4.350 0.002 0.000 0.264 172 E C -1.926 174.599 176.600 -0.125 0.000 1.024 172 E CA -1.237 55.105 56.400 -0.098 0.000 0.903 172 E CB 0.341 29.995 29.700 -0.075 0.000 0.963 172 E HN 0.332 nan 8.360 nan 0.000 0.432 188 R N 1.066 121.572 120.500 0.010 0.000 2.711 188 R HA 0.810 5.151 4.340 0.002 0.000 0.284 188 R C -1.129 175.176 176.300 0.008 0.000 0.968 188 R CA -0.382 55.723 56.100 0.008 0.000 0.924 188 R CB 1.530 31.832 30.300 0.003 0.000 1.162 188 R HN 0.424 nan 8.270 nan 0.000 0.465 189 A N 3.924 126.750 122.820 0.009 0.000 2.304 189 A HA 0.650 4.971 4.320 0.002 0.000 0.301 189 A C -0.632 176.959 177.584 0.011 0.000 1.132 189 A CA -0.628 51.417 52.037 0.013 0.000 0.819 189 A CB 0.610 19.620 19.000 0.017 0.000 1.094 189 A HN 0.671 nan 8.150 nan 0.000 0.492 190 L N 0.232 121.465 121.223 0.017 0.000 2.506 190 L HA 0.711 5.052 4.340 0.002 0.000 0.257 190 L C -1.567 175.321 176.870 0.030 0.000 0.964 190 L CA -0.811 54.038 54.840 0.014 0.000 0.836 190 L CB 1.517 43.576 42.059 0.001 0.000 1.384 190 L HN 0.544 nan 8.230 nan 0.000 0.410 191 L N 3.459 124.698 121.223 0.026 0.000 2.290 191 L HA 0.634 4.975 4.340 0.002 0.000 0.284 191 L C -0.688 176.200 176.870 0.031 0.000 1.078 191 L CA -0.689 54.172 54.840 0.035 0.000 0.815 191 L CB 1.639 43.710 42.059 0.020 0.000 1.162 191 L HN 0.486 nan 8.230 nan 0.000 0.435 192 V N 3.443 123.393 119.914 0.061 0.000 2.588 192 V HA 0.291 4.412 4.120 0.002 0.000 0.304 192 V C -0.115 175.993 176.094 0.024 0.000 1.042 192 V CA -0.852 61.476 62.300 0.047 0.000 0.877 192 V CB 2.053 33.926 31.823 0.084 0.000 0.996 192 V HN 0.720 nan 8.190 nan 0.000 0.425 193 N N 3.260 121.866 118.700 -0.157 0.000 2.434 193 N HA 0.531 5.273 4.740 0.002 0.000 0.272 193 N C -1.338 174.114 175.510 -0.096 0.000 1.040 193 N CA -0.060 52.837 53.050 -0.256 0.000 0.956 193 N CB 1.799 39.826 38.487 -0.766 0.000 1.108 193 N HN 0.442 nan 8.380 nan 0.000 0.481 194 V N 3.732 123.686 119.914 0.067 0.000 2.709 194 V HA 0.461 4.582 4.120 0.002 0.000 0.308 194 V C -0.070 176.109 176.094 0.142 0.000 1.062 194 V CA -0.810 61.567 62.300 0.129 0.000 0.901 194 V CB 1.923 33.904 31.823 0.263 0.000 1.003 194 V HN 0.724 nan 8.190 nan 0.000 0.425 195 K N 2.481 122.901 120.400 0.033 0.000 2.372 195 K HA 0.744 5.065 4.320 0.002 0.000 0.251 195 K C -1.613 174.977 176.600 -0.017 0.000 1.055 195 K CA -0.777 55.550 56.287 0.067 0.000 0.879 195 K CB 2.181 34.688 32.500 0.011 0.000 1.384 195 K HN 0.317 nan 8.250 nan 0.000 0.465 196 F N 0.708 120.703 119.950 0.077 0.000 2.523 196 F HA 0.254 4.782 4.527 0.001 0.000 0.329 196 F C 1.818 177.646 175.800 0.046 0.000 1.061 196 F CA -0.623 57.421 58.000 0.074 0.000 0.967 196 F CB 1.921 40.963 39.000 0.070 0.000 1.218 196 F HN 0.796 nan 8.300 nan 0.000 0.480 197 E N 1.322 121.659 120.200 0.228 0.000 2.147 197 E HA -0.202 4.149 4.350 0.002 0.000 0.199 197 E C 2.007 178.667 176.600 0.099 0.000 1.005 197 E CA 1.572 58.051 56.400 0.132 0.000 0.810 197 E CB -0.121 29.658 29.700 0.131 0.000 0.736 197 E HN 0.939 nan 8.360 nan 0.000 0.460 198 G N -0.200 108.662 108.800 0.103 0.000 2.453 198 G HA2 -0.079 3.882 3.960 0.002 0.000 0.215 198 G HA3 -0.079 3.882 3.960 0.002 0.000 0.215 198 G C 0.784 175.704 174.900 0.033 0.000 1.147 198 G CA 0.358 45.486 45.100 0.047 0.000 0.802 198 G HN 0.184 nan 8.290 nan 0.000 0.535 199 S N -1.205 114.523 115.700 0.046 0.000 2.718 199 S HA 0.433 4.904 4.470 0.002 0.000 0.300 199 S C 0.891 175.499 174.600 0.013 0.000 1.117 199 S CA -0.416 57.796 58.200 0.020 0.000 1.002 199 S CB 1.954 65.155 63.200 0.003 0.000 1.092 199 S HN 0.115 nan 8.310 nan 0.000 0.542 200 E N 0.950 121.146 120.200 -0.007 0.000 2.112 200 E HA 0.093 4.445 4.350 0.002 0.000 0.190 200 E C -0.093 176.467 176.600 -0.067 0.000 0.979 200 E CA 0.586 56.972 56.400 -0.023 0.000 0.814 200 E CB -0.011 29.678 29.700 -0.018 0.000 0.762 200 E HN 0.650 nan 8.360 nan 0.000 0.460 201 E N 0.765 120.907 120.200 -0.096 0.000 2.465 201 E HA 0.118 4.469 4.350 0.002 0.000 0.260 201 E C -0.437 175.919 176.600 -0.407 0.000 0.980 201 E CA 0.117 56.386 56.400 -0.219 0.000 0.927 201 E CB 0.623 30.214 29.700 -0.181 0.000 0.934 201 E HN 0.083 nan 8.360 nan 0.000 0.459 202 S N 2.207 117.565 115.700 -0.571 0.000 2.618 202 S HA 0.718 5.189 4.470 0.002 0.000 0.277 202 S C -1.131 172.958 174.600 -0.852 0.000 1.138 202 S CA -1.021 56.779 58.200 -0.668 0.000 0.844 202 S CB 0.881 63.927 63.200 -0.256 0.000 1.127 202 S HN 0.304 nan 8.310 nan 0.000 0.474 203 F N 0.185 120.057 119.950 -0.130 0.000 2.529 203 F HA 0.545 5.073 4.527 0.002 0.000 0.320 203 F C 0.162 175.662 175.800 -0.501 0.000 1.118 203 F CA -0.721 57.058 58.000 -0.368 0.000 0.915 203 F CB 2.348 41.027 39.000 -0.534 0.000 1.161 203 F HN 0.506 nan 8.300 nan 0.000 0.445 204 T N 3.942 118.304 114.554 -0.320 0.000 2.781 204 T HA 0.485 4.836 4.350 0.002 0.000 0.305 204 T C -0.662 173.864 174.700 -0.288 0.000 1.001 204 T CA -0.322 61.631 62.100 -0.245 0.000 0.950 204 T CB -0.239 68.549 68.868 -0.133 0.000 0.955 204 T HN 0.190 nan 8.240 nan 0.000 0.471 205 F N 1.742 121.708 119.950 0.026 0.000 2.399 205 F HA 0.428 4.956 4.527 0.001 0.000 0.328 205 F C 0.885 176.686 175.800 0.002 0.000 1.084 205 F CA -1.094 56.915 58.000 0.016 0.000 1.053 205 F CB 1.136 40.138 39.000 0.004 0.000 1.209 205 F HN 0.325 nan 8.300 nan 0.000 0.502 206 Q N 2.793 122.718 119.800 0.209 0.000 2.303 206 Q HA 0.592 4.933 4.340 0.002 0.000 0.257 206 Q C -0.973 175.093 176.000 0.110 0.000 0.941 206 Q CA -0.548 55.327 55.803 0.120 0.000 0.931 206 Q CB 1.269 30.053 28.738 0.078 0.000 1.215 206 Q HN 0.686 nan 8.270 nan 0.000 0.437 207 V N -0.081 119.875 119.914 0.070 0.000 3.119 207 V HA 0.732 4.853 4.120 0.002 0.000 0.311 207 V C -0.587 175.519 176.094 0.019 0.000 1.259 207 V CA -0.993 61.324 62.300 0.028 0.000 1.067 207 V CB 1.609 33.430 31.823 -0.002 0.000 1.123 207 V HN 0.627 nan 8.190 nan 0.000 0.463 208 S N -0.560 115.144 115.700 0.008 0.000 2.593 208 S HA 0.454 4.925 4.470 0.002 0.000 0.297 208 S C 1.204 175.810 174.600 0.010 0.000 1.112 208 S CA 0.225 58.430 58.200 0.008 0.000 1.043 208 S CB 1.533 64.736 63.200 0.005 0.000 1.054 208 S HN 1.406 nan 8.310 nan 0.000 0.516 209 T N 1.424 115.985 114.554 0.012 0.000 2.977 209 T HA -0.129 4.222 4.350 0.002 0.000 0.271 209 T C 1.325 176.035 174.700 0.016 0.000 1.105 209 T CA 1.418 63.530 62.100 0.020 0.000 1.116 209 T CB -0.442 68.436 68.868 0.017 0.000 0.878 209 T HN 0.780 nan 8.240 nan 0.000 0.509 210 K N 0.600 121.002 120.400 0.003 0.000 2.361 210 K HA 0.118 4.439 4.320 0.002 0.000 0.196 210 K C 0.146 176.736 176.600 -0.017 0.000 1.039 210 K CA -0.018 56.259 56.287 -0.016 0.000 1.001 210 K CB 0.030 32.523 32.500 -0.012 0.000 0.795 210 K HN 0.179 nan 8.250 nan 0.000 0.495 211 D N 1.838 122.236 120.400 -0.003 0.000 2.423 211 D HA 0.004 4.645 4.640 0.002 0.000 0.238 211 D C 0.412 176.723 176.300 0.019 0.000 1.142 211 D CA 0.500 54.498 54.000 -0.003 0.000 0.884 211 D CB 0.599 41.392 40.800 -0.012 0.000 1.199 211 D HN 0.061 nan 8.370 nan 0.000 0.438 212 M N 2.336 121.947 119.600 0.019 0.000 2.228 212 M HA 0.115 4.597 4.480 0.002 0.000 0.326 212 M C -1.355 174.976 176.300 0.051 0.000 1.122 212 M CA -1.787 53.548 55.300 0.059 0.000 1.161 212 M CB 0.028 32.652 32.600 0.040 0.000 1.437 212 M HN 0.016 nan 8.290 nan 0.000 0.465 213 P HA -0.123 nan 4.420 nan 0.000 0.216 213 P C 1.627 178.938 177.300 0.018 0.000 1.150 213 P CA 0.946 64.062 63.100 0.028 0.000 0.837 213 P CB 0.065 31.800 31.700 0.058 0.000 0.786 214 L N -0.540 120.712 121.223 0.049 0.000 2.046 214 L HA -0.148 4.193 4.340 0.002 0.000 0.208 214 L C 2.247 179.107 176.870 -0.016 0.000 1.077 214 L CA 1.974 56.837 54.840 0.038 0.000 0.747 214 L CB -1.286 40.806 42.059 0.055 0.000 0.896 214 L HN -0.111 nan 8.230 nan 0.000 0.432 215 A N -0.839 121.962 122.820 -0.031 0.000 1.898 215 A HA -0.198 4.123 4.320 0.002 0.000 0.216 215 A C 2.330 179.829 177.584 -0.142 0.000 1.181 215 A CA 1.875 53.871 52.037 -0.069 0.000 0.620 215 A CB -0.897 18.071 19.000 -0.053 0.000 0.819 215 A HN 0.500 nan 8.150 nan 0.000 0.442 216 L N -0.889 120.245 121.223 -0.148 0.000 2.046 216 L HA -0.174 4.167 4.340 0.002 0.000 0.208 216 L C 2.639 179.328 176.870 -0.302 0.000 1.077 216 L CA 1.615 56.306 54.840 -0.248 0.000 0.747 216 L CB -0.219 41.742 42.059 -0.163 0.000 0.896 216 L HN 0.427 nan 8.230 nan 0.000 0.432 217 M N -0.995 118.493 119.600 -0.187 0.000 2.229 217 M HA -0.162 4.319 4.480 0.002 0.000 0.264 217 M C 2.359 178.548 176.300 -0.186 0.000 1.063 217 M CA 1.435 56.621 55.300 -0.190 0.000 1.114 217 M CB -0.521 32.028 32.600 -0.086 0.000 1.387 217 M HN 0.417 nan 8.290 nan 0.000 0.420 218 A N 0.240 122.972 122.820 -0.147 0.000 1.858 218 A HA -0.186 4.135 4.320 0.002 0.000 0.216 218 A C 2.331 179.807 177.584 -0.180 0.000 1.190 218 A CA 1.839 53.803 52.037 -0.120 0.000 0.617 218 A CB -1.296 17.654 19.000 -0.085 0.000 0.827 218 A HN 0.603 nan 8.150 nan 0.000 0.443 219 C N -0.789 118.324 119.300 -0.312 0.000 2.398 219 C HA -0.017 4.444 4.460 0.002 0.000 0.276 219 C C 3.300 178.047 174.990 -0.405 0.000 1.222 219 C CA 0.821 59.569 59.018 -0.450 0.000 1.746 219 C CB -1.594 25.596 27.740 -0.915 0.000 2.039 219 C HN 0.708 nan 8.230 nan 0.000 0.470 220 A N 0.439 122.978 122.820 -0.467 0.000 1.892 220 A HA -0.179 4.142 4.320 0.002 0.000 0.218 220 A C 2.131 179.732 177.584 0.028 0.000 1.188 220 A CA 1.872 53.848 52.037 -0.101 0.000 0.631 220 A CB -0.698 18.203 19.000 -0.164 0.000 0.822 220 A HN 0.630 nan 8.150 nan 0.000 0.447 221 L N -1.357 119.869 121.223 0.005 0.000 2.156 221 L HA -0.121 4.220 4.340 0.002 0.000 0.208 221 L C 2.857 179.709 176.870 -0.030 0.000 1.095 221 L CA 1.029 55.899 54.840 0.050 0.000 0.770 221 L CB -0.364 41.701 42.059 0.009 0.000 0.914 221 L HN 0.339 nan 8.230 nan 0.000 0.439 222 R N -0.202 120.266 120.500 -0.053 0.000 2.081 222 R HA -0.128 4.213 4.340 0.002 0.000 0.235 222 R C 2.294 178.554 176.300 -0.067 0.000 1.131 222 R CA 0.971 57.044 56.100 -0.045 0.000 0.960 222 R CB -0.173 30.104 30.300 -0.038 0.000 0.856 222 R HN 0.222 nan 8.270 nan 0.000 0.436 223 K N 0.960 121.286 120.400 -0.122 0.000 2.025 223 K HA -0.151 4.170 4.320 0.002 0.000 0.207 223 K C 1.951 178.375 176.600 -0.293 0.000 1.049 223 K CA 1.077 57.213 56.287 -0.251 0.000 0.933 223 K CB -0.241 31.965 32.500 -0.490 0.000 0.714 223 K HN 0.133 nan 8.250 nan 0.000 0.438 224 K N 0.836 121.044 120.400 -0.320 0.000 2.103 224 K HA -0.103 4.218 4.320 0.002 0.000 0.207 224 K C 2.015 178.602 176.600 -0.021 0.000 1.048 224 K CA 1.233 57.438 56.287 -0.137 0.000 0.930 224 K CB -0.046 32.245 32.500 -0.347 0.000 0.716 224 K HN 0.085 nan 8.250 nan 0.000 0.444 225 A N 0.718 123.516 122.820 -0.037 0.000 1.933 225 A HA -0.162 4.160 4.320 0.002 0.000 0.218 225 A C 2.174 179.779 177.584 0.035 0.000 1.175 225 A CA 2.265 54.312 52.037 0.016 0.000 0.628 225 A CB -0.981 18.018 19.000 -0.000 0.000 0.814 225 A HN 0.653 nan 8.150 nan 0.000 0.444 226 T N -2.951 111.613 114.554 0.017 0.000 2.809 226 T HA -0.063 4.288 4.350 0.002 0.000 0.260 226 T C 1.727 176.454 174.700 0.045 0.000 1.039 226 T CA 1.431 63.545 62.100 0.022 0.000 1.141 226 T CB -0.811 68.065 68.868 0.014 0.000 0.869 226 T HN 0.055 nan 8.240 nan 0.000 0.437 227 V N 0.267 120.233 119.914 0.087 0.000 2.295 227 V HA 0.058 4.179 4.120 0.002 0.000 0.246 227 V C 1.825 177.995 176.094 0.127 0.000 1.049 227 V CA 1.350 63.728 62.300 0.129 0.000 1.024 227 V CB -0.799 31.167 31.823 0.238 0.000 0.648 227 V HN 0.524 nan 8.190 nan 0.000 0.447 228 F N 1.038 120.988 119.950 0.000 0.000 2.974 228 F HA 0.382 4.910 4.527 0.002 0.000 0.292 228 F C 1.200 176.982 175.800 -0.031 0.000 1.209 228 F CA -0.488 57.498 58.000 -0.024 0.000 1.366 228 F CB -0.441 38.527 39.000 -0.053 0.000 1.033 228 F HN -0.026 nan 8.300 nan 0.000 0.516 229 R N 0.861 121.339 120.500 -0.037 0.000 3.989 229 R HA -0.319 4.022 4.340 0.002 0.000 0.335 229 R C 0.575 176.867 176.300 -0.013 0.000 1.223 229 R CA 1.276 57.337 56.100 -0.065 0.000 0.962 229 R CB -2.025 28.179 30.300 -0.160 0.000 1.393 229 R HN 0.828 nan 8.270 nan 0.000 0.554 236 P HA -0.170 nan 4.420 nan 0.000 0.216 236 P C 0.155 177.628 177.300 0.288 0.000 1.150 236 P CA 1.246 64.473 63.100 0.212 0.000 0.843 236 P CB 0.444 32.203 31.700 0.099 0.000 0.787 237 E N -0.464 119.873 120.200 0.228 0.000 2.463 237 E HA -0.144 4.207 4.350 0.002 0.000 0.201 237 E C 1.485 178.274 176.600 0.315 0.000 1.045 237 E CA 0.681 57.227 56.400 0.244 0.000 0.872 237 E CB -0.645 29.160 29.700 0.176 0.000 0.797 237 E HN 0.369 nan 8.360 nan 0.000 0.538 238 E N -0.578 119.743 120.200 0.202 0.000 2.479 238 E HA 0.033 4.385 4.350 0.002 0.000 0.193 238 E C -0.418 175.828 176.600 -0.591 0.000 1.049 238 E CA 0.220 56.505 56.400 -0.193 0.000 0.870 238 E CB 0.287 29.831 29.700 -0.261 0.000 0.944 238 E HN 0.332 nan 8.360 nan 0.000 0.492 239 Y N -0.375 119.911 120.300 -0.023 0.000 2.562 239 Y HA 0.575 5.127 4.550 0.002 0.000 0.343 239 Y C 0.066 176.074 175.900 0.180 0.000 1.025 239 Y CA -1.058 57.033 58.100 -0.015 0.000 1.082 239 Y CB 1.817 40.304 38.460 0.045 0.000 1.264 239 Y HN -0.194 nan 8.280 nan 0.000 0.478 240 A N 1.738 124.767 122.820 0.349 0.000 2.454 240 A HA 0.808 5.129 4.320 0.002 0.000 0.302 240 A C -1.801 175.979 177.584 0.327 0.000 1.079 240 A CA -0.802 51.471 52.037 0.393 0.000 0.731 240 A CB 1.082 20.335 19.000 0.420 0.000 1.299 240 A HN 0.729 nan 8.150 nan 0.000 0.413 241 L N 1.790 123.161 121.223 0.247 0.000 2.257 241 L HA 0.402 4.744 4.340 0.002 0.000 0.290 241 L C 0.475 177.300 176.870 -0.076 0.000 1.044 241 L CA -0.163 54.709 54.840 0.053 0.000 0.810 241 L CB 1.384 43.419 42.059 -0.041 0.000 1.193 241 L HN 0.841 nan 8.230 nan 0.000 0.425 242 Q N 2.406 122.028 119.800 -0.296 0.000 2.235 242 Q HA 0.360 4.701 4.340 0.002 0.000 0.250 242 Q C -0.888 174.822 176.000 -0.482 0.000 0.909 242 Q CA -0.754 54.580 55.803 -0.782 0.000 0.910 242 Q CB 1.865 30.083 28.738 -0.867 0.000 1.223 242 Q HN 0.412 nan 8.270 nan 0.000 0.432 243 V N 4.490 124.080 119.914 -0.541 0.000 2.521 243 V HA 0.000 4.121 4.120 0.002 0.000 0.286 243 V C 0.038 175.906 176.094 -0.376 0.000 1.034 243 V CA -0.426 61.556 62.300 -0.531 0.000 1.045 243 V CB 0.573 31.922 31.823 -0.790 0.000 0.974 243 V HN 0.777 nan 8.190 nan 0.000 0.480 244 N N 3.893 122.451 118.700 -0.236 0.000 2.359 244 N HA 0.226 4.967 4.740 0.002 0.000 0.261 244 N C 1.236 176.663 175.510 -0.139 0.000 1.267 244 N CA 1.322 54.292 53.050 -0.133 0.000 0.864 244 N CB 0.557 39.029 38.487 -0.027 0.000 1.063 244 N HN 1.079 nan 8.380 nan 0.000 0.474 245 G N 1.343 110.074 108.800 -0.116 0.000 2.162 245 G HA2 -0.312 3.649 3.960 0.002 0.000 0.260 245 G HA3 -0.312 3.649 3.960 0.002 0.000 0.260 245 G C 0.076 174.898 174.900 -0.131 0.000 0.976 245 G CA 0.113 45.155 45.100 -0.096 0.000 0.655 245 G HN 0.604 nan 8.290 nan 0.000 0.533 246 R N -1.028 119.370 120.500 -0.170 0.000 2.807 246 R HA 0.484 4.826 4.340 0.002 0.000 0.276 246 R C -0.870 175.371 176.300 -0.097 0.000 0.979 246 R CA -1.055 54.946 56.100 -0.165 0.000 0.928 246 R CB 0.880 31.067 30.300 -0.189 0.000 1.191 246 R HN 0.173 nan 8.270 nan 0.000 0.471 247 H N 1.572 120.600 119.070 -0.070 0.000 2.799 247 H HA 0.204 4.761 4.556 0.001 0.000 0.225 247 H C -0.573 174.769 175.328 0.024 0.000 1.904 247 H CA 0.126 56.173 56.048 -0.001 0.000 1.344 247 H CB -0.264 29.691 29.762 0.322 0.000 1.744 247 H HN 0.431 nan 8.280 nan 0.000 0.542 248 E N 1.400 121.545 120.200 -0.091 0.000 2.321 248 E HA 0.306 4.657 4.350 0.002 0.000 0.278 248 E C -1.514 174.941 176.600 -0.241 0.000 0.902 248 E CA -0.698 55.686 56.400 -0.027 0.000 0.758 248 E CB 1.607 31.255 29.700 -0.087 0.000 1.213 248 E HN 0.170 nan 8.360 nan 0.000 0.426 249 Y N 2.093 122.382 120.300 -0.019 0.000 2.512 249 Y HA 0.464 5.015 4.550 0.001 0.000 0.348 249 Y C -0.778 175.116 175.900 -0.010 0.000 0.990 249 Y CA -0.888 57.239 58.100 0.045 0.000 1.033 249 Y CB 1.582 40.204 38.460 0.270 0.000 1.259 249 Y HN 0.412 nan 8.280 nan 0.000 0.461 250 L N 4.566 125.807 121.223 0.030 0.000 2.305 250 L HA 0.506 4.847 4.340 0.002 0.000 0.284 250 L C -1.049 175.829 176.870 0.014 0.000 1.013 250 L CA -1.005 53.614 54.840 -0.367 0.000 0.819 250 L CB 0.109 41.769 42.059 -0.665 0.000 1.227 250 L HN 0.615 nan 8.230 nan 0.000 0.417 251 Y N 1.027 121.400 120.300 0.122 0.000 2.713 251 Y HA 0.869 5.420 4.550 0.002 0.000 0.335 251 Y C 0.141 176.318 175.900 0.462 0.000 1.222 251 Y CA -1.163 57.087 58.100 0.250 0.000 1.061 251 Y CB 0.995 39.591 38.460 0.227 0.000 1.314 251 Y HN 0.852 nan 8.280 nan 0.000 0.453 252 G N 1.193 110.313 108.800 0.533 0.000 2.661 252 G HA2 -0.136 3.826 3.960 0.002 0.000 0.685 252 G HA3 -0.136 3.826 3.960 0.002 0.000 0.685 252 G C -1.624 173.429 174.900 0.256 0.000 1.298 252 G CA -0.810 44.549 45.100 0.432 0.000 0.855 252 G HN 0.932 nan 8.290 nan 0.000 0.560 253 N N 0.968 119.602 118.700 -0.111 0.000 2.895 253 N HA 0.408 5.150 4.740 0.002 0.000 0.277 253 N C -1.023 174.150 175.510 -0.562 0.000 1.185 253 N CA 0.567 53.467 53.050 -0.250 0.000 1.106 253 N CB -0.136 38.190 38.487 -0.268 0.000 1.422 253 N HN 0.441 nan 8.380 nan 0.000 0.521 254 Y N 0.238 120.580 120.300 0.069 0.000 2.470 254 Y HA 0.351 4.902 4.550 0.002 0.000 0.341 254 Y C -2.185 173.713 175.900 -0.004 0.000 1.021 254 Y CA -2.301 55.767 58.100 -0.054 0.000 1.025 254 Y CB 2.067 40.361 38.460 -0.275 0.000 1.266 254 Y HN 0.203 nan 8.280 nan 0.000 0.448 255 P HA 0.079 nan 4.420 nan 0.000 0.269 255 P C 0.777 178.164 177.300 0.146 0.000 1.209 255 P CA 0.016 63.075 63.100 -0.067 0.000 0.776 255 P CB 1.204 32.730 31.700 -0.291 0.000 0.876 256 L N 2.185 123.530 121.223 0.204 0.000 2.081 256 L HA -0.234 4.107 4.340 0.002 0.000 0.212 256 L C 2.530 179.593 176.870 0.322 0.000 1.080 256 L CA 2.174 57.197 54.840 0.305 0.000 0.754 256 L CB -0.957 41.176 42.059 0.123 0.000 0.893 256 L HN 0.538 nan 8.230 nan 0.000 0.433 257 C N -2.820 116.591 119.300 0.184 0.000 2.522 257 C HA -0.030 4.431 4.460 0.002 0.000 0.271 257 C C 2.189 177.325 174.990 0.243 0.000 1.425 257 C CA -0.276 58.844 59.018 0.170 0.000 1.751 257 C CB -1.665 26.139 27.740 0.107 0.000 1.775 257 C HN 0.466 nan 8.230 nan 0.000 0.557 258 H N -1.179 117.913 119.070 0.038 0.000 2.547 258 H HA 0.148 4.705 4.556 0.002 0.000 0.272 258 H C -0.047 175.119 175.328 -0.270 0.000 0.989 258 H CA 0.232 56.207 56.048 -0.122 0.000 1.214 258 H CB 0.004 29.665 29.762 -0.168 0.000 1.389 258 H HN 0.462 nan 8.280 nan 0.000 0.577 259 F N 1.275 121.278 119.950 0.088 0.000 2.410 259 F HA 0.050 4.578 4.527 0.002 0.000 0.348 259 F C 1.511 177.336 175.800 0.043 0.000 1.106 259 F CA -0.235 57.778 58.000 0.023 0.000 1.163 259 F CB 1.220 40.245 39.000 0.043 0.000 1.129 259 F HN -0.021 nan 8.300 nan 0.000 0.516 260 Q N 1.915 121.826 119.800 0.185 0.000 2.135 260 Q HA -0.268 4.073 4.340 0.002 0.000 0.204 260 Q C 1.644 177.756 176.000 0.187 0.000 0.981 260 Q CA 1.812 57.700 55.803 0.142 0.000 0.856 260 Q CB -0.300 28.502 28.738 0.106 0.000 0.902 260 Q HN 0.826 nan 8.270 nan 0.000 0.425 261 Y N 1.207 121.575 120.300 0.114 0.000 2.145 261 Y HA -0.245 4.306 4.550 0.003 0.000 0.286 261 Y C 1.874 177.823 175.900 0.081 0.000 1.145 261 Y CA 1.230 59.377 58.100 0.079 0.000 1.148 261 Y CB -0.144 38.342 38.460 0.043 0.000 0.981 261 Y HN 0.027 nan 8.280 nan 0.000 0.507 262 I N -0.704 119.856 120.570 -0.017 0.000 2.226 262 I HA -0.327 3.844 4.170 0.002 0.000 0.245 262 I C 2.823 178.889 176.117 -0.085 0.000 1.100 262 I CA 1.083 62.314 61.300 -0.114 0.000 1.374 262 I CB -1.944 36.091 38.000 0.058 0.000 1.057 262 I HN 0.387 nan 8.210 nan 0.000 0.413 263 C N 0.182 119.488 119.300 0.010 0.000 2.393 263 C HA -0.211 4.251 4.460 0.002 0.000 0.276 263 C C 3.389 178.380 174.990 0.003 0.000 1.215 263 C CA 1.794 60.817 59.018 0.009 0.000 1.743 263 C CB -0.909 26.873 27.740 0.071 0.000 2.044 263 C HN 0.560 nan 8.230 nan 0.000 0.464 264 S N -0.992 114.717 115.700 0.016 0.000 2.359 264 S HA -0.243 4.228 4.470 0.002 0.000 0.223 264 S C 1.890 176.478 174.600 -0.019 0.000 1.039 264 S CA 2.156 60.378 58.200 0.037 0.000 1.042 264 S CB -0.521 62.709 63.200 0.051 0.000 0.915 264 S HN 0.757 nan 8.310 nan 0.000 0.439 265 C N 1.058 120.261 119.300 -0.162 0.000 2.413 265 C HA -0.035 4.426 4.460 0.002 0.000 0.276 265 C C 2.508 177.451 174.990 -0.080 0.000 1.248 265 C CA 0.758 59.680 59.018 -0.160 0.000 1.742 265 C CB -1.667 25.892 27.740 -0.302 0.000 2.017 265 C HN 0.575 nan 8.230 nan 0.000 0.481 266 L N -0.466 120.697 121.223 -0.099 0.000 2.017 266 L HA -0.190 4.151 4.340 0.002 0.000 0.208 266 L C 2.783 179.598 176.870 -0.092 0.000 1.073 266 L CA 1.520 56.291 54.840 -0.116 0.000 0.745 266 L CB -0.863 41.084 42.059 -0.186 0.000 0.894 266 L HN 0.458 nan 8.230 nan 0.000 0.432 267 H N -0.845 118.227 119.070 0.004 0.000 2.462 267 H HA -0.057 4.500 4.556 0.002 0.000 0.292 267 H C 2.565 177.906 175.328 0.021 0.000 1.049 267 H CA 1.568 57.628 56.048 0.020 0.000 1.334 267 H CB 0.064 29.844 29.762 0.031 0.000 1.404 267 H HN 0.393 nan 8.280 nan 0.000 0.544 268 S N -1.275 114.500 115.700 0.126 0.000 2.478 268 S HA 0.132 4.603 4.470 0.002 0.000 0.222 268 S C 1.889 176.515 174.600 0.043 0.000 1.008 268 S CA 1.040 59.287 58.200 0.078 0.000 0.928 268 S CB 0.513 63.749 63.200 0.060 0.000 0.781 268 S HN 0.564 nan 8.310 nan 0.000 0.518 269 G N 0.673 109.490 108.800 0.028 0.000 2.349 269 G HA2 -0.194 3.767 3.960 0.002 0.000 0.213 269 G HA3 -0.194 3.767 3.960 0.002 0.000 0.213 269 G C -0.070 174.834 174.900 0.006 0.000 1.044 269 G CA -0.066 45.042 45.100 0.014 0.000 0.633 269 G HN 0.481 nan 8.290 nan 0.000 0.506 270 L N 2.041 123.268 121.223 0.007 0.000 2.483 270 L HA 0.430 4.772 4.340 0.002 0.000 0.277 270 L C 1.085 177.966 176.870 0.018 0.000 1.248 270 L CA 1.173 56.024 54.840 0.019 0.000 0.825 270 L CB 0.324 42.398 42.059 0.026 0.000 1.096 270 L HN 0.201 nan 8.230 nan 0.000 0.512 271 T N 2.904 117.503 114.554 0.076 0.000 2.744 271 T HA 0.330 4.681 4.350 0.002 0.000 0.291 271 T C -2.362 172.441 174.700 0.172 0.000 0.957 271 T CA -1.109 61.047 62.100 0.094 0.000 1.002 271 T CB 1.011 69.947 68.868 0.113 0.000 0.919 271 T HN 0.322 nan 8.240 nan 0.000 0.468 272 P HA 0.032 nan 4.420 nan 0.000 0.261 272 P C -0.389 177.045 177.300 0.223 0.000 1.183 272 P CA 0.175 63.362 63.100 0.145 0.000 0.761 272 P CB 0.210 31.935 31.700 0.042 0.000 0.785 273 H N 3.401 122.614 119.070 0.238 0.000 2.587 273 H HA 0.416 4.973 4.556 0.002 0.000 0.325 273 H C -0.158 175.202 175.328 0.053 0.000 1.012 273 H CA -0.502 55.614 56.048 0.114 0.000 1.213 273 H CB 1.016 30.823 29.762 0.074 0.000 1.431 273 H HN 0.276 nan 8.280 nan 0.000 0.492 274 L N 2.011 123.270 121.223 0.059 0.000 2.333 274 L HA 0.456 4.797 4.340 0.002 0.000 0.263 274 L C -0.061 176.773 176.870 -0.060 0.000 1.014 274 L CA -0.788 54.036 54.840 -0.027 0.000 0.820 274 L CB 2.520 44.561 42.059 -0.030 0.000 1.352 274 L HN 0.451 nan 8.230 nan 0.000 0.421 275 T N 2.102 116.590 114.554 -0.109 0.000 2.840 275 T HA 0.425 4.776 4.350 0.002 0.000 0.287 275 T C -0.148 174.479 174.700 -0.122 0.000 0.991 275 T CA -0.585 61.450 62.100 -0.108 0.000 0.964 275 T CB 1.316 70.139 68.868 -0.075 0.000 0.954 275 T HN 0.292 nan 8.240 nan 0.000 0.438 276 M N 3.872 123.326 119.600 -0.243 0.000 2.364 276 M HA 0.176 4.657 4.480 0.002 0.000 0.342 276 M C -0.473 175.888 176.300 0.103 0.000 1.601 276 M CA 0.086 55.242 55.300 -0.240 0.000 1.156 276 M CB -0.223 31.794 32.600 -0.971 0.000 1.912 276 M HN 0.289 nan 8.290 nan 0.000 0.460 277 V N 4.192 124.263 119.914 0.262 0.000 2.384 277 V HA 0.212 4.333 4.120 0.002 0.000 0.287 277 V C -0.027 176.163 176.094 0.160 0.000 1.020 277 V CA -0.841 61.611 62.300 0.253 0.000 0.850 277 V CB 1.394 33.367 31.823 0.250 0.000 0.987 277 V HN 0.751 nan 8.190 nan 0.000 0.436 278 H N 3.099 122.093 119.070 -0.128 0.000 2.615 278 H HA 0.169 4.726 4.556 0.001 0.000 0.363 278 H C 1.580 176.532 175.328 -0.627 0.000 1.148 278 H CA 0.679 56.338 56.048 -0.649 0.000 1.401 278 H CB 1.542 30.992 29.762 -0.519 0.000 1.461 278 H HN 0.749 nan 8.280 nan 0.000 0.588 279 S N 1.361 116.103 115.700 -1.597 0.000 2.400 279 S HA -0.252 4.219 4.470 0.002 0.000 0.232 279 S C 2.181 176.285 174.600 -0.827 0.000 1.025 279 S CA 1.273 58.494 58.200 -1.631 0.000 0.993 279 S CB -0.742 61.023 63.200 -2.392 0.000 0.808 279 S HN 0.690 nan 8.310 nan 0.000 0.478 280 S N 1.656 117.057 115.700 -0.499 0.000 2.402 280 S HA -0.085 4.387 4.470 0.002 0.000 0.229 280 S C 1.992 176.504 174.600 -0.148 0.000 1.021 280 S CA 1.153 59.240 58.200 -0.188 0.000 0.974 280 S CB -0.911 62.292 63.200 0.006 0.000 0.800 280 S HN 0.617 nan 8.310 nan 0.000 0.484 281 S N 1.751 117.378 115.700 -0.121 0.000 2.368 281 S HA 0.016 4.487 4.470 0.002 0.000 0.224 281 S C 1.822 176.359 174.600 -0.105 0.000 1.029 281 S CA 1.049 59.203 58.200 -0.076 0.000 0.988 281 S CB -0.690 62.503 63.200 -0.011 0.000 0.838 281 S HN 0.610 nan 8.310 nan 0.000 0.462 282 I N 1.302 121.782 120.570 -0.149 0.000 2.226 282 I HA -0.158 4.013 4.170 0.002 0.000 0.245 282 I C 2.251 178.219 176.117 -0.249 0.000 1.100 282 I CA 1.135 62.370 61.300 -0.108 0.000 1.374 282 I CB -0.364 37.630 38.000 -0.010 0.000 1.057 282 I HN 0.307 nan 8.210 nan 0.000 0.413 283 L N 0.433 121.511 121.223 -0.242 0.000 2.141 283 L HA -0.164 4.177 4.340 0.002 0.000 0.209 283 L C 2.822 179.502 176.870 -0.318 0.000 1.094 283 L CA 1.050 55.721 54.840 -0.282 0.000 0.763 283 L CB -0.684 41.260 42.059 -0.191 0.000 0.908 283 L HN 0.245 nan 8.230 nan 0.000 0.437 284 A N 0.121 122.799 122.820 -0.236 0.000 1.933 284 A HA -0.212 4.109 4.320 0.002 0.000 0.218 284 A C 2.303 179.740 177.584 -0.245 0.000 1.175 284 A CA 1.611 53.530 52.037 -0.197 0.000 0.628 284 A CB -0.394 18.534 19.000 -0.121 0.000 0.814 284 A HN 0.351 nan 8.150 nan 0.000 0.444 285 M N -1.157 118.276 119.600 -0.277 0.000 2.086 285 M HA -0.133 4.348 4.480 0.002 0.000 0.261 285 M C 2.375 178.278 176.300 -0.663 0.000 1.067 285 M CA 1.953 57.077 55.300 -0.293 0.000 1.116 285 M CB -0.452 32.100 32.600 -0.080 0.000 1.348 285 M HN 0.489 nan 8.290 nan 0.000 0.407 286 R N 0.985 120.750 120.500 -1.224 0.000 2.094 286 R HA -0.209 4.133 4.340 0.002 0.000 0.239 286 R C 1.539 177.381 176.300 -0.763 0.000 1.137 286 R CA 2.416 57.514 56.100 -1.670 0.000 0.943 286 R CB -0.364 29.120 30.300 -1.360 0.000 0.850 286 R HN 0.299 nan 8.270 nan 0.000 0.433 287 D N 0.329 120.434 120.400 -0.490 0.000 2.117 287 D HA -0.196 4.445 4.640 0.002 0.000 0.197 287 D C 1.745 177.913 176.300 -0.219 0.000 0.987 287 D CA 1.757 55.584 54.000 -0.289 0.000 0.829 287 D CB -0.338 40.333 40.800 -0.215 0.000 0.961 287 D HN 0.635 nan 8.370 nan 0.000 0.460 288 E N 0.559 120.629 120.200 -0.217 0.000 2.409 288 E HA -0.163 4.188 4.350 0.002 0.000 0.198 288 E C 0.986 177.510 176.600 -0.126 0.000 1.024 288 E CA 0.661 56.984 56.400 -0.128 0.000 0.861 288 E CB -0.218 29.430 29.700 -0.086 0.000 0.788 288 E HN 0.317 nan 8.360 nan 0.000 0.521 289 Q N 1.464 121.120 119.800 -0.240 0.000 2.204 289 Q HA 0.097 4.438 4.340 0.002 0.000 0.209 289 Q C -0.076 175.894 176.000 -0.049 0.000 0.861 289 Q CA -0.039 55.622 55.803 -0.236 0.000 0.971 289 Q CB 1.002 29.517 28.738 -0.373 0.000 1.095 289 Q HN 0.243 nan 8.270 nan 0.000 0.486 290 S N -0.248 115.415 115.700 -0.062 0.000 2.564 290 S HA 0.137 4.608 4.470 0.002 0.000 0.278 290 S C 0.238 174.835 174.600 -0.005 0.000 1.333 290 S CA -0.665 57.509 58.200 -0.044 0.000 1.048 290 S CB 1.021 64.180 63.200 -0.068 0.000 0.900 290 S HN 0.235 nan 8.310 nan 0.000 0.505 317 W N 0.290 121.479 121.300 -0.186 0.000 2.361 317 W HA -0.099 4.562 4.660 0.002 0.000 0.270 317 W C 0.929 177.369 176.519 -0.132 0.000 1.210 317 W CA 1.647 58.852 57.345 -0.233 0.000 1.174 317 W CB -1.176 28.189 29.460 -0.158 0.000 1.131 317 W HN 0.562 nan 8.180 nan 0.000 0.575 318 S N 1.128 116.560 115.700 -0.446 0.000 2.436 318 S HA 0.069 4.540 4.470 0.002 0.000 0.228 318 S C 1.054 175.443 174.600 -0.351 0.000 1.014 318 S CA 0.325 58.173 58.200 -0.586 0.000 0.950 318 S CB -0.229 62.803 63.200 -0.279 0.000 0.784 318 S HN 0.126 nan 8.310 nan 0.000 0.504 319 L N 2.056 123.158 121.223 -0.203 0.000 2.268 319 L HA 0.323 4.664 4.340 0.002 0.000 0.289 319 L C 0.958 177.779 176.870 -0.081 0.000 1.064 319 L CA -0.072 54.704 54.840 -0.105 0.000 0.824 319 L CB 0.636 42.676 42.059 -0.032 0.000 1.202 319 L HN 0.110 nan 8.230 nan 0.000 0.433 320 E N 1.414 121.567 120.200 -0.077 0.000 2.431 320 E HA -0.013 4.338 4.350 0.002 0.000 0.200 320 E C 0.341 176.943 176.600 0.003 0.000 0.995 320 E CA -0.184 56.192 56.400 -0.040 0.000 0.915 320 E CB 0.483 30.144 29.700 -0.066 0.000 0.930 320 E HN 0.635 nan 8.360 nan 0.000 0.496 321 Q N 1.965 121.769 119.800 0.007 0.000 2.349 321 Q HA 0.075 4.416 4.340 0.002 0.000 0.287 321 Q C -2.532 173.509 176.000 0.069 0.000 1.044 321 Q CA -1.488 54.331 55.803 0.027 0.000 0.918 321 Q CB -0.324 28.425 28.738 0.019 0.000 1.242 321 Q HN -0.192 nan 8.270 nan 0.000 0.405 322 P HA 0.035 nan 4.420 nan 0.000 0.271 322 P C -0.613 176.789 177.300 0.169 0.000 1.226 322 P CA -0.271 62.902 63.100 0.121 0.000 0.765 322 P CB 0.043 31.794 31.700 0.086 0.000 0.835 323 F N 3.850 123.865 119.950 0.109 0.000 2.602 323 F HA 0.225 4.753 4.527 0.002 0.000 0.367 323 F C 0.360 176.317 175.800 0.261 0.000 1.126 323 F CA 1.143 59.221 58.000 0.130 0.000 1.321 323 F CB 0.299 39.334 39.000 0.058 0.000 1.094 323 F HN 0.418 nan 8.300 nan 0.000 0.594 324 S N 6.003 121.247 115.700 -0.760 0.000 2.565 324 S HA 0.785 5.256 4.470 0.002 0.000 0.269 324 S C -0.871 173.387 174.600 -0.570 0.000 1.153 324 S CA -0.649 57.300 58.200 -0.419 0.000 0.835 324 S CB 1.558 64.655 63.200 -0.171 0.000 1.122 324 S HN 1.002 nan 8.310 nan 0.000 0.462 325 I N -1.990 118.470 120.570 -0.184 0.000 3.174 325 I HA 0.790 4.961 4.170 0.002 0.000 0.313 325 I C -0.956 175.183 176.117 0.036 0.000 1.155 325 I CA -0.905 60.373 61.300 -0.035 0.000 0.977 325 I CB 2.162 40.250 38.000 0.147 0.000 1.248 325 I HN 0.804 nan 8.210 nan 0.000 0.453 326 E N 2.446 122.705 120.200 0.099 0.000 2.129 326 E HA 0.389 4.740 4.350 0.002 0.000 0.268 326 E C -1.592 175.059 176.600 0.086 0.000 0.900 326 E CA -0.983 55.465 56.400 0.080 0.000 0.755 326 E CB 1.863 31.605 29.700 0.069 0.000 1.117 326 E HN 0.674 nan 8.360 nan 0.000 0.410 327 L N 6.609 127.861 121.223 0.048 0.000 2.342 327 L HA 0.253 4.594 4.340 0.002 0.000 0.285 327 L C 0.041 176.975 176.870 0.106 0.000 1.095 327 L CA 0.495 55.342 54.840 0.011 0.000 0.843 327 L CB 0.265 42.252 42.059 -0.121 0.000 1.201 327 L HN 0.730 nan 8.230 nan 0.000 0.445 328 I N 3.292 123.925 120.570 0.104 0.000 2.315 328 I HA 0.110 4.282 4.170 0.002 0.000 0.233 328 I C 0.703 176.942 176.117 0.204 0.000 1.067 328 I CA 0.657 62.030 61.300 0.121 0.000 1.376 328 I CB -0.055 37.988 38.000 0.072 0.000 1.143 328 I HN 0.747 nan 8.210 nan 0.000 0.421 329 E N -0.024 120.292 120.200 0.195 0.000 2.447 329 E HA 0.583 4.934 4.350 0.002 0.000 0.279 329 E C -1.095 175.626 176.600 0.202 0.000 1.053 329 E CA -0.929 55.594 56.400 0.205 0.000 0.840 329 E CB 1.781 31.504 29.700 0.038 0.000 1.409 329 E HN 0.152 nan 8.360 nan 0.000 0.461 330 G N -0.131 108.760 108.800 0.152 0.000 2.949 330 G HA2 0.687 4.648 3.960 0.002 0.000 0.285 330 G HA3 0.687 4.648 3.960 0.002 0.000 0.285 330 G C -1.340 173.567 174.900 0.012 0.000 1.395 330 G CA -1.122 44.043 45.100 0.109 0.000 0.901 330 G HN 0.576 nan 8.290 nan 0.000 0.519 331 R N 0.213 120.715 120.500 0.004 0.000 3.107 331 R HA 0.402 4.743 4.340 0.002 0.000 0.251 331 R C -1.032 175.267 176.300 -0.001 0.000 1.818 331 R CA -0.907 55.187 56.100 -0.011 0.000 1.228 331 R CB 0.957 31.247 30.300 -0.016 0.000 1.459 331 R HN 0.504 nan 8.270 nan 0.000 0.520 332 K N -0.013 120.391 120.400 0.006 0.000 2.208 332 K HA 0.708 5.029 4.320 0.002 0.000 0.240 332 K C -0.739 175.869 176.600 0.013 0.000 1.088 332 K CA -1.242 55.055 56.287 0.017 0.000 0.902 332 K CB 0.920 33.445 32.500 0.042 0.000 1.355 332 K HN 0.064 nan 8.250 nan 0.000 0.526 333 V N 0.548 120.476 119.914 0.023 0.000 2.610 333 V HA 0.512 4.633 4.120 0.002 0.000 0.298 333 V C -1.442 174.672 176.094 0.034 0.000 1.067 333 V CA -0.335 61.978 62.300 0.022 0.000 0.894 333 V CB 1.181 33.015 31.823 0.018 0.000 1.015 333 V HN 0.866 nan 8.190 nan 0.000 0.432 334 N N 2.436 121.155 118.700 0.031 0.000 3.339 334 N HA 0.809 5.550 4.740 0.002 0.000 0.275 334 N C -0.657 174.872 175.510 0.032 0.000 1.514 334 N CA 0.183 53.257 53.050 0.040 0.000 0.879 334 N CB 1.624 40.145 38.487 0.057 0.000 1.557 334 N HN 0.768 nan 8.380 nan 0.000 0.524 340 K N 0.890 121.325 120.400 0.059 0.000 2.328 340 K HA 0.825 5.146 4.320 0.002 0.000 0.246 340 K C -1.633 175.018 176.600 0.085 0.000 0.955 340 K CA -0.388 55.934 56.287 0.058 0.000 0.817 340 K CB 1.932 34.468 32.500 0.061 0.000 1.208 340 K HN 0.496 nan 8.250 nan 0.000 0.432 341 L N 1.888 123.167 121.223 0.093 0.000 2.357 341 L HA 0.629 4.970 4.340 0.002 0.000 0.273 341 L C -0.701 176.260 176.870 0.152 0.000 1.080 341 L CA -0.995 53.925 54.840 0.135 0.000 0.803 341 L CB 1.411 43.601 42.059 0.218 0.000 1.174 341 L HN 0.217 nan 8.230 nan 0.000 0.443 342 V N 2.515 122.398 119.914 -0.052 0.000 2.841 342 V HA 0.407 4.528 4.120 0.002 0.000 0.310 342 V C -0.537 175.256 176.094 -0.502 0.000 1.090 342 V CA -0.715 61.461 62.300 -0.206 0.000 0.930 342 V CB 2.415 34.089 31.823 -0.250 0.000 1.014 342 V HN 0.362 nan 8.190 nan 0.000 0.425 343 V N 3.567 123.220 119.914 -0.435 0.000 2.357 343 V HA 0.414 4.536 4.120 0.002 0.000 0.284 343 V C -0.050 175.933 176.094 -0.186 0.000 1.018 343 V CA -0.380 61.683 62.300 -0.395 0.000 0.841 343 V CB 1.383 32.869 31.823 -0.561 0.000 0.991 343 V HN 0.946 nan 8.190 nan 0.000 0.437 344 Q N 3.234 123.017 119.800 -0.029 0.000 2.256 344 Q HA 0.730 5.071 4.340 0.002 0.000 0.254 344 Q C -0.503 175.592 176.000 0.158 0.000 0.916 344 Q CA -0.432 55.457 55.803 0.143 0.000 0.932 344 Q CB 1.658 30.610 28.738 0.357 0.000 1.207 344 Q HN 0.895 nan 8.270 nan 0.000 0.426 345 A N 2.519 125.400 122.820 0.101 0.000 2.386 345 A HA 0.894 5.215 4.320 0.002 0.000 0.311 345 A C -0.726 176.954 177.584 0.161 0.000 1.068 345 A CA -0.171 51.881 52.037 0.025 0.000 0.743 345 A CB 1.905 20.895 19.000 -0.017 0.000 1.258 345 A HN 0.769 nan 8.150 nan 0.000 0.429 346 G N 0.351 109.245 108.800 0.157 0.000 2.706 346 G HA2 0.573 4.534 3.960 0.002 0.000 0.297 346 G HA3 0.573 4.534 3.960 0.002 0.000 0.297 346 G C -1.405 173.517 174.900 0.038 0.000 1.403 346 G CA -0.591 44.611 45.100 0.170 0.000 0.954 346 G HN 0.676 nan 8.290 nan 0.000 0.500 347 L N 0.807 121.911 121.223 -0.199 0.000 2.295 347 L HA 0.632 4.974 4.340 0.002 0.000 0.285 347 L C -0.860 175.788 176.870 -0.370 0.000 1.035 347 L CA -0.600 54.080 54.840 -0.267 0.000 0.806 347 L CB 1.356 43.164 42.059 -0.418 0.000 1.214 347 L HN 0.389 nan 8.230 nan 0.000 0.426 348 F N 0.373 120.266 119.950 -0.095 0.000 2.577 348 F HA 0.369 4.898 4.527 0.002 0.000 0.318 348 F C -0.182 175.583 175.800 -0.059 0.000 1.065 348 F CA -0.708 57.251 58.000 -0.069 0.000 0.929 348 F CB 1.734 40.694 39.000 -0.066 0.000 1.237 348 F HN 0.379 nan 8.300 nan 0.000 0.468 349 H N 1.137 120.187 119.070 -0.034 0.000 2.854 349 H HA 0.522 5.079 4.556 0.002 0.000 0.275 349 H C 0.239 175.339 175.328 -0.381 0.000 1.198 349 H CA 0.233 56.154 56.048 -0.210 0.000 1.489 349 H CB 0.297 29.932 29.762 -0.213 0.000 1.519 349 H HN 0.827 nan 8.280 nan 0.000 0.503 350 G N 3.680 112.038 108.800 -0.736 0.000 2.531 350 G HA2 -0.414 3.547 3.960 0.002 0.000 0.274 350 G HA3 -0.414 3.547 3.960 0.002 0.000 0.274 350 G C 0.876 175.446 174.900 -0.549 0.000 1.159 350 G CA 0.329 44.693 45.100 -1.228 0.000 0.969 350 G HN 0.556 nan 8.290 nan 0.000 0.554 351 N N 1.735 120.194 118.700 -0.403 0.000 2.409 351 N HA 0.087 4.828 4.740 0.002 0.000 0.179 351 N C 0.639 176.214 175.510 0.108 0.000 1.032 351 N CA 1.098 54.107 53.050 -0.067 0.000 0.898 351 N CB -0.030 38.395 38.487 -0.103 0.000 0.971 351 N HN 0.508 nan 8.380 nan 0.000 0.441 352 E N 0.768 120.980 120.200 0.019 0.000 2.259 352 E HA 0.202 4.553 4.350 0.002 0.000 0.281 352 E C 0.175 176.762 176.600 -0.021 0.000 1.027 352 E CA -0.114 56.301 56.400 0.024 0.000 0.838 352 E CB 0.643 30.332 29.700 -0.020 0.000 1.066 352 E HN 0.102 nan 8.360 nan 0.000 0.401 353 M N 4.055 123.544 119.600 -0.185 0.000 2.228 353 M HA 0.065 4.546 4.480 0.002 0.000 0.351 353 M C 0.700 176.850 176.300 -0.251 0.000 1.233 353 M CA 0.144 55.153 55.300 -0.484 0.000 1.129 353 M CB 0.492 32.840 32.600 -0.419 0.000 1.604 353 M HN 0.455 nan 8.290 nan 0.000 0.457 354 L N 2.589 123.658 121.223 -0.257 0.000 2.592 354 L HA 0.134 4.475 4.340 0.002 0.000 0.227 354 L C 0.327 177.144 176.870 -0.089 0.000 1.127 354 L CA -0.203 54.561 54.840 -0.127 0.000 0.884 354 L CB -0.262 41.733 42.059 -0.107 0.000 1.065 354 L HN 0.969 nan 8.230 nan 0.000 0.457 355 C N -3.782 115.454 119.300 -0.107 0.000 3.056 355 C HA 0.221 4.683 4.460 0.002 0.000 0.336 355 C C -0.710 174.252 174.990 -0.047 0.000 1.356 355 C CA -1.884 57.112 59.018 -0.036 0.000 1.216 355 C CB 0.828 28.596 27.740 0.046 0.000 1.391 355 C HN 0.277 nan 8.230 nan 0.000 0.445 356 K N 0.437 120.833 120.400 -0.006 0.000 2.336 356 K HA 0.439 4.760 4.320 0.002 0.000 0.262 356 K C 0.167 176.778 176.600 0.018 0.000 0.992 356 K CA 0.854 57.136 56.287 -0.009 0.000 0.927 356 K CB 0.076 32.574 32.500 -0.003 0.000 0.956 356 K HN 1.019 nan 8.250 nan 0.000 0.495 357 T N -1.204 113.358 114.554 0.013 0.000 3.579 357 T HA 0.207 4.558 4.350 0.002 0.000 0.328 357 T C 0.559 175.270 174.700 0.019 0.000 1.481 357 T CA -0.847 61.283 62.100 0.049 0.000 1.144 357 T CB -0.831 68.082 68.868 0.076 0.000 1.205 357 T HN 0.501 nan 8.240 nan 0.000 0.812 358 V N 1.227 121.104 119.914 -0.062 0.000 2.752 358 V HA 0.326 4.447 4.120 0.002 0.000 0.306 358 V C 0.170 176.201 176.094 -0.106 0.000 1.099 358 V CA -0.326 61.878 62.300 -0.159 0.000 1.240 358 V CB -0.064 31.519 31.823 -0.399 0.000 0.887 358 V HN 0.716 nan 8.190 nan 0.000 0.499 359 S N 3.059 118.717 115.700 -0.071 0.000 2.607 359 S HA 0.591 5.062 4.470 0.002 0.000 0.303 359 S C 0.099 174.654 174.600 -0.076 0.000 1.086 359 S CA -0.485 57.692 58.200 -0.039 0.000 0.995 359 S CB 1.861 65.079 63.200 0.030 0.000 1.084 359 S HN 1.038 nan 8.310 nan 0.000 0.507 360 S N 1.765 117.398 115.700 -0.113 0.000 2.600 360 S HA 0.318 4.789 4.470 0.002 0.000 0.265 360 S C 0.396 174.991 174.600 -0.007 0.000 1.325 360 S CA -0.598 57.521 58.200 -0.136 0.000 1.002 360 S CB 0.407 63.392 63.200 -0.359 0.000 0.921 360 S HN 0.816 nan 8.310 nan 0.000 0.554 361 S N 1.548 117.292 115.700 0.073 0.000 2.576 361 S HA 0.213 4.684 4.470 0.002 0.000 0.276 361 S C -0.275 174.451 174.600 0.211 0.000 1.339 361 S CA -0.668 57.609 58.200 0.128 0.000 1.039 361 S CB 0.166 63.448 63.200 0.138 0.000 0.902 361 S HN 0.662 nan 8.310 nan 0.000 0.516 362 E N 1.031 121.318 120.200 0.146 0.000 2.344 362 E HA 0.365 4.716 4.350 0.002 0.000 0.270 362 E C -0.836 175.837 176.600 0.121 0.000 1.021 362 E CA -0.307 56.180 56.400 0.145 0.000 0.887 362 E CB 0.859 30.615 29.700 0.093 0.000 0.997 362 E HN 0.453 nan 8.360 nan 0.000 0.429 363 V N 3.699 123.680 119.914 0.111 0.000 2.789 363 V HA 0.143 4.264 4.120 0.002 0.000 0.311 363 V C -0.017 176.044 176.094 -0.056 0.000 1.073 363 V CA -1.338 60.933 62.300 -0.050 0.000 0.921 363 V CB 1.967 33.605 31.823 -0.308 0.000 1.009 363 V HN 0.648 nan 8.190 nan 0.000 0.426 364 N N 1.616 120.272 118.700 -0.072 0.000 2.329 364 N HA -0.017 4.724 4.740 0.002 0.000 0.237 364 N C 0.651 176.123 175.510 -0.064 0.000 1.258 364 N CA -0.073 52.946 53.050 -0.052 0.000 0.866 364 N CB 1.017 39.472 38.487 -0.054 0.000 1.102 364 N HN 0.455 nan 8.380 nan 0.000 0.440 365 V N 0.743 120.640 119.914 -0.028 0.000 3.515 365 V HA -0.074 4.047 4.120 0.002 0.000 0.298 365 V C 0.968 177.038 176.094 -0.039 0.000 1.206 365 V CA 0.142 62.429 62.300 -0.021 0.000 1.253 365 V CB -1.078 30.751 31.823 0.009 0.000 1.035 365 V HN 0.638 nan 8.190 nan 0.000 0.428 366 C N -0.321 118.939 119.300 -0.067 0.000 2.335 366 C HA 0.694 5.155 4.460 0.002 0.000 0.363 366 C C 1.291 176.223 174.990 -0.097 0.000 1.198 366 C CA 0.351 59.327 59.018 -0.070 0.000 2.279 366 C CB 0.957 28.655 27.740 -0.070 0.000 2.334 366 C HN 0.742 nan 8.230 nan 0.000 0.559 367 S N 0.715 116.366 115.700 -0.081 0.000 3.683 367 S HA -0.176 4.295 4.470 0.002 0.000 0.636 367 S C 0.076 174.632 174.600 -0.074 0.000 2.235 367 S CA 1.172 59.319 58.200 -0.088 0.000 2.445 367 S CB -0.910 62.214 63.200 -0.127 0.000 0.330 367 S HN 1.673 nan 8.310 nan 0.000 1.763 368 E N 0.069 120.226 120.200 -0.071 0.000 2.553 368 E HA -0.144 4.207 4.350 0.002 0.000 0.264 368 E C -2.234 174.277 176.600 -0.148 0.000 1.068 368 E CA 1.037 57.386 56.400 -0.083 0.000 0.774 368 E CB -1.021 28.639 29.700 -0.066 0.000 1.349 368 E HN 0.391 nan 8.360 nan 0.000 0.404 369 P HA 0.060 nan 4.420 nan 0.000 0.268 369 P C -0.393 176.623 177.300 -0.474 0.000 1.208 369 P CA 0.048 62.860 63.100 -0.481 0.000 0.777 369 P CB 1.039 32.265 31.700 -0.791 0.000 0.875 370 V N 3.289 122.871 119.914 -0.554 0.000 2.525 370 V HA 0.232 4.353 4.120 0.002 0.000 0.299 370 V C 0.441 176.315 176.094 -0.367 0.000 1.034 370 V CA -0.310 61.804 62.300 -0.310 0.000 0.863 370 V CB 2.072 33.793 31.823 -0.170 0.000 0.999 370 V HN 0.724 nan 8.190 nan 0.000 0.423 371 W N 1.332 122.609 121.300 -0.039 0.000 2.850 371 W HA 0.207 4.868 4.660 0.002 0.000 0.260 371 W C 0.903 177.402 176.519 -0.034 0.000 1.129 371 W CA -0.246 57.078 57.345 -0.035 0.000 1.587 371 W CB 0.234 29.674 29.460 -0.033 0.000 1.041 371 W HN 0.569 nan 8.180 nan 0.000 0.614 372 K N 1.776 122.294 120.400 0.197 0.000 3.490 372 K HA -0.218 4.104 4.320 0.002 0.000 0.273 372 K C -0.300 176.345 176.600 0.075 0.000 0.916 372 K CA 0.589 56.930 56.287 0.090 0.000 0.718 372 K CB -1.186 31.333 32.500 0.032 0.000 1.477 372 K HN 0.108 nan 8.250 nan 0.000 0.452 373 Q N 0.876 120.728 119.800 0.088 0.000 2.331 373 Q HA 0.300 4.641 4.340 0.002 0.000 0.272 373 Q C -0.341 175.665 176.000 0.010 0.000 1.062 373 Q CA -0.884 54.946 55.803 0.045 0.000 0.806 373 Q CB 1.827 30.603 28.738 0.064 0.000 1.312 373 Q HN 0.148 nan 8.270 nan 0.000 0.431 374 R N 2.106 122.598 120.500 -0.015 0.000 2.401 374 R HA 0.331 4.672 4.340 0.002 0.000 0.299 374 R C -0.153 176.105 176.300 -0.071 0.000 1.064 374 R CA -0.128 55.950 56.100 -0.036 0.000 1.000 374 R CB -0.035 30.239 30.300 -0.043 0.000 0.973 374 R HN 0.446 nan 8.270 nan 0.000 0.438 375 L N 2.514 123.679 121.223 -0.096 0.000 2.276 375 L HA 0.379 4.720 4.340 0.002 0.000 0.286 375 L C 0.538 177.235 176.870 -0.289 0.000 1.024 375 L CA -0.375 54.337 54.840 -0.213 0.000 0.826 375 L CB 1.127 43.051 42.059 -0.225 0.000 1.211 375 L HN 0.443 nan 8.230 nan 0.000 0.422 376 E N 2.617 122.653 120.200 -0.274 0.000 2.216 376 E HA 0.478 4.829 4.350 0.002 0.000 0.279 376 E C -1.323 175.118 176.600 -0.265 0.000 0.997 376 E CA -0.636 55.658 56.400 -0.177 0.000 0.817 376 E CB 1.202 30.853 29.700 -0.082 0.000 1.096 376 E HN 0.288 nan 8.360 nan 0.000 0.393 377 F N 1.701 121.672 119.950 0.035 0.000 2.425 377 F HA 0.138 4.666 4.527 0.002 0.000 0.331 377 F C 0.744 176.585 175.800 0.068 0.000 1.085 377 F CA -0.793 57.255 58.000 0.081 0.000 1.028 377 F CB 1.148 40.268 39.000 0.200 0.000 1.177 377 F HN 0.381 nan 8.300 nan 0.000 0.487 378 D N 3.391 123.921 120.400 0.217 0.000 2.767 378 D HA 0.226 4.867 4.640 0.002 0.000 0.231 378 D C -0.880 175.495 176.300 0.126 0.000 1.105 378 D CA 0.580 54.654 54.000 0.124 0.000 1.024 378 D CB -0.528 40.313 40.800 0.068 0.000 1.123 378 D HN 0.444 nan 8.370 nan 0.000 0.470 379 I N -0.094 120.572 120.570 0.159 0.000 2.741 379 I HA 0.117 4.288 4.170 0.002 0.000 0.288 379 I C -0.931 175.274 176.117 0.147 0.000 1.482 379 I CA -0.484 60.890 61.300 0.125 0.000 1.050 379 I CB 1.603 39.656 38.000 0.088 0.000 1.388 379 I HN -0.100 nan 8.210 nan 0.000 0.428 380 S N 4.160 119.927 115.700 0.113 0.000 2.562 380 S HA 0.184 4.655 4.470 0.002 0.000 0.281 380 S C 1.109 175.778 174.600 0.114 0.000 1.333 380 S CA -0.258 58.007 58.200 0.108 0.000 1.052 380 S CB 1.357 64.611 63.200 0.091 0.000 0.884 380 S HN 0.489 nan 8.310 nan 0.000 0.506 381 V N 4.680 124.664 119.914 0.117 0.000 2.490 381 V HA -0.190 3.931 4.120 0.002 0.000 0.250 381 V C 2.565 178.702 176.094 0.072 0.000 1.061 381 V CA 2.027 64.398 62.300 0.118 0.000 1.064 381 V CB -1.306 30.602 31.823 0.142 0.000 0.670 381 V HN 1.129 nan 8.190 nan 0.000 0.461 382 C N -0.503 118.803 119.300 0.009 0.000 2.437 382 C HA -0.054 4.407 4.460 0.002 0.000 0.283 382 C C 1.855 176.795 174.990 -0.083 0.000 1.424 382 C CA 0.565 59.518 59.018 -0.108 0.000 1.782 382 C CB -1.355 26.230 27.740 -0.259 0.000 1.833 382 C HN 0.558 nan 8.230 nan 0.000 0.532 383 D N 0.970 121.441 120.400 0.119 0.000 2.348 383 D HA 0.185 4.826 4.640 0.002 0.000 0.211 383 D C 0.462 176.876 176.300 0.191 0.000 0.998 383 D CA 0.139 54.286 54.000 0.246 0.000 0.873 383 D CB -0.117 40.820 40.800 0.228 0.000 0.925 383 D HN 0.518 nan 8.370 nan 0.000 0.524 384 L N 3.200 124.523 121.223 0.166 0.000 2.562 384 L HA 0.163 4.504 4.340 0.002 0.000 0.271 384 L C -1.832 175.265 176.870 0.378 0.000 1.167 384 L CA -1.285 53.665 54.840 0.183 0.000 0.917 384 L CB -0.270 41.850 42.059 0.102 0.000 1.187 384 L HN -0.077 nan 8.230 nan 0.000 0.482 385 P HA 0.081 nan 4.420 nan 0.000 0.274 385 P C 0.221 177.547 177.300 0.043 0.000 1.246 385 P CA -0.665 62.585 63.100 0.250 0.000 0.795 385 P CB 0.905 32.640 31.700 0.059 0.000 1.006 386 R N 1.599 121.751 120.500 -0.579 0.000 2.117 386 R HA -0.092 4.249 4.340 0.002 0.000 0.243 386 R C 1.584 177.685 176.300 -0.333 0.000 1.143 386 R CA 2.045 57.425 56.100 -1.199 0.000 0.968 386 R CB -0.911 28.514 30.300 -1.458 0.000 0.863 386 R HN 0.382 nan 8.270 nan 0.000 0.444 387 M N 0.481 120.040 119.600 -0.068 0.000 2.551 387 M HA 0.341 4.822 4.480 0.002 0.000 0.252 387 M C -0.108 176.252 176.300 0.100 0.000 1.219 387 M CA -0.371 54.946 55.300 0.029 0.000 0.978 387 M CB -0.442 32.102 32.600 -0.093 0.000 1.533 387 M HN 0.119 nan 8.290 nan 0.000 0.474 388 A N 1.812 124.745 122.820 0.189 0.000 2.548 388 A HA 0.197 4.518 4.320 0.002 0.000 0.247 388 A C 0.423 178.043 177.584 0.061 0.000 1.067 388 A CA 0.254 52.370 52.037 0.131 0.000 0.757 388 A CB 0.023 19.079 19.000 0.093 0.000 0.996 388 A HN 0.580 nan 8.150 nan 0.000 0.504 389 R N 2.416 122.935 120.500 0.032 0.000 2.437 389 R HA 0.541 4.882 4.340 0.002 0.000 0.310 389 R C -1.453 174.860 176.300 0.022 0.000 0.955 389 R CA -0.747 55.377 56.100 0.039 0.000 0.851 389 R CB 0.969 31.307 30.300 0.064 0.000 1.161 389 R HN 0.652 nan 8.270 nan 0.000 0.446 390 L N 5.368 126.590 121.223 -0.002 0.000 2.272 390 L HA 0.460 4.801 4.340 0.002 0.000 0.289 390 L C -1.469 175.368 176.870 -0.055 0.000 1.032 390 L CA -0.238 54.555 54.840 -0.077 0.000 0.810 390 L CB 1.213 43.224 42.059 -0.079 0.000 1.205 390 L HN 0.690 nan 8.230 nan 0.000 0.422 391 C N 5.298 124.529 119.300 -0.115 0.000 2.369 391 C HA 0.625 5.086 4.460 0.002 0.000 0.322 391 C C -0.404 174.484 174.990 -0.170 0.000 1.258 391 C CA -0.802 58.208 59.018 -0.013 0.000 1.487 391 C CB 0.219 28.015 27.740 0.094 0.000 2.165 391 C HN 0.674 nan 8.230 nan 0.000 0.483 392 F N 1.761 121.846 119.950 0.225 0.000 2.492 392 F HA 0.721 5.249 4.527 0.002 0.000 0.327 392 F C 0.477 176.415 175.800 0.230 0.000 1.079 392 F CA -0.401 57.712 58.000 0.189 0.000 0.967 392 F CB 1.354 40.425 39.000 0.119 0.000 1.169 392 F HN 0.663 nan 8.300 nan 0.000 0.472 393 A N 3.158 126.213 122.820 0.391 0.000 2.381 393 A HA 0.711 5.032 4.320 0.002 0.000 0.299 393 A C -1.898 175.830 177.584 0.241 0.000 1.049 393 A CA -0.577 51.685 52.037 0.376 0.000 0.715 393 A CB 1.286 20.535 19.000 0.415 0.000 1.222 393 A HN 0.820 nan 8.150 nan 0.000 0.428 394 L N 3.801 125.140 121.223 0.193 0.000 2.287 394 L HA 0.841 5.182 4.340 0.002 0.000 0.287 394 L C -1.074 175.877 176.870 0.136 0.000 1.022 394 L CA -0.369 54.488 54.840 0.028 0.000 0.814 394 L CB 0.723 42.810 42.059 0.048 0.000 1.217 394 L HN 0.773 nan 8.230 nan 0.000 0.420 395 Y N 3.285 123.659 120.300 0.124 0.000 2.644 395 Y HA 0.923 5.474 4.550 0.002 0.000 0.338 395 Y C -0.822 175.144 175.900 0.110 0.000 1.119 395 Y CA -1.105 57.062 58.100 0.112 0.000 1.060 395 Y CB 0.930 39.450 38.460 0.100 0.000 1.294 395 Y HN 0.601 nan 8.280 nan 0.000 0.472 396 A N 0.925 123.935 122.820 0.317 0.000 2.330 396 A HA 0.899 5.220 4.320 0.002 0.000 0.329 396 A C -1.392 176.334 177.584 0.236 0.000 1.135 396 A CA -0.787 51.380 52.037 0.216 0.000 0.817 396 A CB 1.714 20.799 19.000 0.141 0.000 1.269 396 A HN 1.229 nan 8.150 nan 0.000 0.469 397 V N 1.212 121.231 119.914 0.175 0.000 3.204 397 V HA 0.477 4.598 4.120 0.002 0.000 0.298 397 V C -0.181 175.971 176.094 0.098 0.000 1.328 397 V CA -0.500 61.886 62.300 0.144 0.000 1.035 397 V CB 2.253 34.185 31.823 0.182 0.000 1.095 397 V HN 0.992 nan 8.190 nan 0.000 0.442 416 C N 3.445 122.787 119.300 0.069 0.000 2.521 416 C HA 0.476 4.937 4.460 0.002 0.000 0.291 416 C C -2.522 172.557 174.990 0.148 0.000 1.074 416 C CA -1.588 57.486 59.018 0.094 0.000 1.495 416 C CB -0.204 27.595 27.740 0.098 0.000 1.862 416 C HN 0.266 nan 8.230 nan 0.000 0.418 417 P HA 0.242 nan 4.420 nan 0.000 0.266 417 P C 0.352 177.768 177.300 0.194 0.000 1.195 417 P CA 0.457 63.670 63.100 0.188 0.000 0.768 417 P CB 0.701 32.481 31.700 0.132 0.000 0.838 418 I N 1.026 121.734 120.570 0.229 0.000 3.345 418 I HA 0.339 4.510 4.170 0.002 0.000 0.258 418 I C 0.848 177.073 176.117 0.181 0.000 1.134 418 I CA 0.377 61.782 61.300 0.175 0.000 1.457 418 I CB 0.128 38.216 38.000 0.147 0.000 1.425 418 I HN 0.318 nan 8.210 nan 0.000 0.461 419 A N 0.175 123.124 122.820 0.214 0.000 2.599 419 A HA 0.628 4.949 4.320 0.002 0.000 0.290 419 A C -2.206 175.570 177.584 0.320 0.000 1.101 419 A CA -0.534 51.622 52.037 0.198 0.000 0.674 419 A CB 1.092 20.128 19.000 0.061 0.000 1.277 419 A HN 0.341 nan 8.150 nan 0.000 0.419 420 W N -1.168 120.248 121.300 0.193 0.000 3.062 420 W HA 0.839 5.500 4.660 0.002 0.000 0.336 420 W C -0.850 175.834 176.519 0.274 0.000 1.224 420 W CA -0.725 56.748 57.345 0.212 0.000 1.159 420 W CB 1.387 30.946 29.460 0.166 0.000 1.454 420 W HN 1.776 nan 8.180 nan 0.000 0.569 421 A N 2.625 125.775 122.820 0.550 0.000 2.532 421 A HA 0.528 4.849 4.320 0.002 0.000 0.296 421 A C -1.706 176.206 177.584 0.547 0.000 1.058 421 A CA -0.749 51.534 52.037 0.410 0.000 0.729 421 A CB 1.281 20.375 19.000 0.156 0.000 1.285 421 A HN 0.565 nan 8.150 nan 0.000 0.396 422 N N 0.756 119.750 118.700 0.489 0.000 2.335 422 N HA 0.830 5.571 4.740 0.002 0.000 0.304 422 N C -1.041 174.631 175.510 0.270 0.000 1.135 422 N CA -0.453 52.809 53.050 0.353 0.000 0.817 422 N CB 1.984 40.633 38.487 0.269 0.000 1.294 422 N HN 0.702 nan 8.380 nan 0.000 0.497 423 L N -1.564 119.789 121.223 0.217 0.000 2.465 423 L HA 0.625 4.966 4.340 0.002 0.000 0.257 423 L C -0.523 176.411 176.870 0.107 0.000 0.988 423 L CA -0.962 53.972 54.840 0.158 0.000 0.827 423 L CB 0.355 42.517 42.059 0.172 0.000 1.397 423 L HN 0.261 nan 8.230 nan 0.000 0.410 424 M N 2.230 121.881 119.600 0.085 0.000 2.217 424 M HA 0.316 4.797 4.480 0.002 0.000 0.354 424 M C 1.237 177.604 176.300 0.111 0.000 1.225 424 M CA -0.034 55.323 55.300 0.095 0.000 1.137 424 M CB 1.057 33.719 32.600 0.103 0.000 1.576 424 M HN 0.743 nan 8.290 nan 0.000 0.461 425 L N 1.574 122.829 121.223 0.054 0.000 2.156 425 L HA 0.019 4.360 4.340 0.002 0.000 0.208 425 L C 0.218 176.953 176.870 -0.225 0.000 1.095 425 L CA 0.921 55.688 54.840 -0.122 0.000 0.770 425 L CB -0.106 41.753 42.059 -0.333 0.000 0.914 425 L HN 0.458 nan 8.230 nan 0.000 0.439 426 F N 0.447 120.469 119.950 0.120 0.000 2.421 426 F HA 0.181 4.709 4.527 0.002 0.000 0.337 426 F C 0.656 176.600 175.800 0.239 0.000 1.105 426 F CA -1.678 56.412 58.000 0.150 0.000 1.049 426 F CB 0.753 39.833 39.000 0.133 0.000 1.139 426 F HN -0.015 nan 8.300 nan 0.000 0.479 427 D N 1.444 122.046 120.400 0.337 0.000 2.414 427 D HA -0.077 4.564 4.640 0.002 0.000 0.259 427 D C 0.815 177.203 176.300 0.146 0.000 1.269 427 D CA -0.324 53.885 54.000 0.347 0.000 1.028 427 D CB -0.094 40.866 40.800 0.266 0.000 1.093 427 D HN 0.620 nan 8.370 nan 0.000 0.545 428 Y N -2.194 118.045 120.300 -0.102 0.000 2.632 428 Y HA 0.219 4.771 4.550 0.002 0.000 0.301 428 Y C 0.745 176.484 175.900 -0.268 0.000 1.172 428 Y CA 0.256 58.041 58.100 -0.525 0.000 1.328 428 Y CB -0.157 38.181 38.460 -0.202 0.000 1.016 428 Y HN -0.009 nan 8.280 nan 0.000 0.529 429 K N 0.942 121.042 120.400 -0.499 0.000 2.498 429 K HA 0.095 4.416 4.320 0.002 0.000 0.207 429 K C -0.147 176.464 176.600 0.017 0.000 1.033 429 K CA 0.427 56.508 56.287 -0.343 0.000 1.138 429 K CB -0.317 31.974 32.500 -0.349 0.000 0.860 429 K HN 0.419 nan 8.250 nan 0.000 0.490 430 D N -0.300 120.123 120.400 0.039 0.000 3.006 430 D HA -0.241 4.400 4.640 0.002 0.000 0.208 430 D C 0.272 176.860 176.300 0.480 0.000 1.116 430 D CA 0.923 55.054 54.000 0.218 0.000 0.998 430 D CB -0.848 40.060 40.800 0.179 0.000 1.124 430 D HN 0.390 nan 8.370 nan 0.000 0.413 431 Q N 0.297 120.302 119.800 0.342 0.000 2.314 431 Q HA 0.330 4.671 4.340 0.002 0.000 0.258 431 Q C -0.148 175.949 176.000 0.162 0.000 0.954 431 Q CA -0.679 55.163 55.803 0.065 0.000 0.890 431 Q CB 0.882 29.513 28.738 -0.177 0.000 1.210 431 Q HN 0.226 nan 8.270 nan 0.000 0.410 432 L N 4.209 125.457 121.223 0.042 0.000 2.410 432 L HA 0.131 4.472 4.340 0.002 0.000 0.273 432 L C -0.533 176.240 176.870 -0.162 0.000 1.152 432 L CA 0.584 55.259 54.840 -0.276 0.000 0.855 432 L CB 0.484 42.360 42.059 -0.306 0.000 1.129 432 L HN 0.497 nan 8.230 nan 0.000 0.463 433 K N 3.392 123.699 120.400 -0.154 0.000 2.326 433 K HA 0.427 4.748 4.320 0.002 0.000 0.275 433 K C -0.138 176.418 176.600 -0.073 0.000 1.018 433 K CA 0.163 56.411 56.287 -0.066 0.000 0.962 433 K CB 0.557 33.045 32.500 -0.019 0.000 0.953 433 K HN 0.858 nan 8.250 nan 0.000 0.475 434 T N -1.850 112.650 114.554 -0.089 0.000 2.821 434 T HA 0.474 4.825 4.350 0.002 0.000 0.306 434 T C 0.502 175.092 174.700 -0.183 0.000 1.313 434 T CA -0.694 61.311 62.100 -0.159 0.000 1.012 434 T CB 1.773 70.567 68.868 -0.124 0.000 1.298 434 T HN 0.488 nan 8.240 nan 0.000 0.502 435 G N -0.196 108.408 108.800 -0.326 0.000 2.764 435 G HA2 0.327 4.289 3.960 0.002 0.000 0.218 435 G HA3 0.327 4.289 3.960 0.002 0.000 0.218 435 G C 0.127 174.484 174.900 -0.905 0.000 1.304 435 G CA -0.108 44.509 45.100 -0.805 0.000 0.847 435 G HN 0.938 nan 8.290 nan 0.000 0.610 436 E N 0.215 120.036 120.200 -0.632 0.000 2.343 436 E HA 0.580 4.932 4.350 0.002 0.000 0.269 436 E C -0.774 175.762 176.600 -0.108 0.000 1.047 436 E CA -0.467 55.801 56.400 -0.221 0.000 0.874 436 E CB 0.795 30.542 29.700 0.078 0.000 1.033 436 E HN 0.022 nan 8.360 nan 0.000 0.409 437 R N 2.024 122.486 120.500 -0.065 0.000 2.604 437 R HA 0.349 4.690 4.340 0.002 0.000 0.281 437 R C -1.716 174.520 176.300 -0.106 0.000 1.020 437 R CA -0.479 55.582 56.100 -0.065 0.000 0.899 437 R CB 1.758 32.031 30.300 -0.046 0.000 1.205 437 R HN 0.557 nan 8.270 nan 0.000 0.450 438 C N 5.726 124.939 119.300 -0.145 0.000 2.264 438 C HA 0.567 5.028 4.460 0.002 0.000 0.324 438 C C -0.680 174.071 174.990 -0.399 0.000 1.267 438 C CA -0.680 58.158 59.018 -0.300 0.000 1.618 438 C CB -0.733 26.794 27.740 -0.355 0.000 2.278 438 C HN 0.714 nan 8.230 nan 0.000 0.499 439 L N 7.165 128.150 121.223 -0.397 0.000 2.264 439 L HA 0.354 4.695 4.340 0.002 0.000 0.287 439 L C -0.809 175.821 176.870 -0.400 0.000 1.039 439 L CA -0.386 54.270 54.840 -0.306 0.000 0.829 439 L CB 0.376 42.303 42.059 -0.219 0.000 1.211 439 L HN 0.636 nan 8.230 nan 0.000 0.427 440 Y N 3.894 124.069 120.300 -0.209 0.000 2.486 440 Y HA 0.268 4.820 4.550 0.003 0.000 0.348 440 Y C 0.701 176.316 175.900 -0.475 0.000 1.000 440 Y CA -0.201 57.717 58.100 -0.303 0.000 1.253 440 Y CB 0.413 38.685 38.460 -0.314 0.000 1.140 440 Y HN 0.467 nan 8.280 nan 0.000 0.526 441 M N 2.590 122.007 119.600 -0.305 0.000 2.291 441 M HA 0.275 4.756 4.480 0.002 0.000 0.324 441 M C -0.976 174.983 176.300 -0.569 0.000 1.148 441 M CA -0.482 54.584 55.300 -0.390 0.000 1.104 441 M CB 1.064 33.549 32.600 -0.192 0.000 1.483 441 M HN 0.565 nan 8.290 nan 0.000 0.467 442 W N 1.669 122.591 121.300 -0.631 0.000 2.417 442 W HA 0.427 5.088 4.660 0.001 0.000 0.317 442 W C -2.127 174.142 176.519 -0.417 0.000 1.121 442 W CA -1.619 55.333 57.345 -0.655 0.000 1.208 442 W CB 0.168 28.891 29.460 -1.229 0.000 1.253 442 W HN 0.295 nan 8.180 nan 0.000 0.533 443 P HA 0.085 nan 4.420 nan 0.000 0.271 443 P C -0.406 177.045 177.300 0.251 0.000 1.216 443 P CA -0.214 62.960 63.100 0.124 0.000 0.776 443 P CB 0.939 32.702 31.700 0.105 0.000 0.881 444 S N 2.203 118.063 115.700 0.266 0.000 2.411 444 S HA 0.275 4.746 4.470 0.002 0.000 0.294 444 S C 0.270 174.995 174.600 0.207 0.000 1.115 444 S CA -0.358 58.045 58.200 0.338 0.000 1.071 444 S CB -0.259 63.133 63.200 0.321 0.000 0.967 444 S HN 0.557 nan 8.310 nan 0.000 0.488 453 L N 1.922 123.157 121.223 0.021 0.000 2.439 453 L HA 0.613 4.955 4.340 0.002 0.000 0.269 453 L C 0.591 177.324 176.870 -0.229 0.000 1.179 453 L CA 0.556 55.383 54.840 -0.022 0.000 0.828 453 L CB 0.987 43.081 42.059 0.058 0.000 1.106 453 L HN 0.579 nan 8.230 nan 0.000 0.467 454 N N 3.469 121.960 118.700 -0.348 0.000 2.813 454 N HA 0.324 5.065 4.740 0.002 0.000 0.282 454 N C -2.068 173.093 175.510 -0.580 0.000 1.748 454 N CA -1.554 51.144 53.050 -0.587 0.000 0.860 454 N CB 0.848 38.696 38.487 -1.066 0.000 1.204 454 N HN 0.212 nan 8.380 nan 0.000 0.490 455 P HA -0.117 nan 4.420 nan 0.000 0.218 455 P C 0.818 177.903 177.300 -0.357 0.000 1.148 455 P CA 0.900 63.652 63.100 -0.580 0.000 0.822 455 P CB 0.275 31.438 31.700 -0.895 0.000 0.784 456 A N -0.098 122.397 122.820 -0.541 0.000 2.167 456 A HA 0.253 4.574 4.320 0.002 0.000 0.214 456 A C 1.520 178.742 177.584 -0.603 0.000 1.151 456 A CA 0.517 52.016 52.037 -0.897 0.000 0.735 456 A CB -1.249 17.251 19.000 -0.833 0.000 0.802 456 A HN 0.288 nan 8.150 nan 0.000 0.467 457 G N -0.594 107.864 108.800 -0.571 0.000 2.554 457 G HA2 0.340 4.302 3.960 0.002 0.000 0.238 457 G HA3 0.340 4.302 3.960 0.002 0.000 0.238 457 G C 0.308 175.137 174.900 -0.118 0.000 1.259 457 G CA 0.518 45.307 45.100 -0.517 0.000 0.843 457 G HN 0.202 nan 8.290 nan 0.000 0.582 458 T N -0.871 113.684 114.554 0.003 0.000 2.939 458 T HA 0.079 4.430 4.350 0.002 0.000 0.319 458 T C 1.577 176.378 174.700 0.169 0.000 1.082 458 T CA 0.388 62.498 62.100 0.017 0.000 1.133 458 T CB 0.524 69.344 68.868 -0.079 0.000 1.019 458 T HN 1.001 nan 8.240 nan 0.000 0.548 459 V N 2.655 122.626 119.914 0.094 0.000 3.577 459 V HA 0.433 4.554 4.120 0.002 0.000 0.294 459 V C 0.824 177.002 176.094 0.140 0.000 1.317 459 V CA -0.048 62.322 62.300 0.117 0.000 1.169 459 V CB -0.929 30.903 31.823 0.015 0.000 1.011 459 V HN 0.684 nan 8.190 nan 0.000 0.426 460 R N 0.572 121.180 120.500 0.181 0.000 2.604 460 R HA 0.659 5.000 4.340 0.002 0.000 0.287 460 R C 0.674 177.159 176.300 0.309 0.000 0.970 460 R CA -0.037 56.176 56.100 0.189 0.000 0.946 460 R CB 1.623 32.005 30.300 0.136 0.000 1.127 460 R HN 0.452 nan 8.270 nan 0.000 0.473 461 G N 1.622 110.512 108.800 0.151 0.000 2.606 461 G HA2 -0.067 3.894 3.960 0.002 0.000 0.252 461 G HA3 -0.067 3.894 3.960 0.002 0.000 0.252 461 G C -0.400 174.297 174.900 -0.339 0.000 1.206 461 G CA -0.461 44.620 45.100 -0.031 0.000 0.861 461 G HN 0.626 nan 8.290 nan 0.000 0.561 462 N N 1.358 119.438 118.700 -1.033 0.000 2.438 462 N HA 0.101 4.842 4.740 0.002 0.000 0.267 462 N C -0.838 174.266 175.510 -0.677 0.000 1.222 462 N CA -1.961 50.172 53.050 -1.529 0.000 0.930 462 N CB 1.493 39.033 38.487 -1.579 0.000 1.083 462 N HN 0.111 nan 8.380 nan 0.000 0.476 463 P HA -0.095 nan 4.420 nan 0.000 0.223 463 P C 0.055 177.174 177.300 -0.301 0.000 1.151 463 P CA 0.620 63.549 63.100 -0.285 0.000 0.787 463 P CB 0.203 31.820 31.700 -0.139 0.000 0.788 464 N N 1.193 119.709 118.700 -0.307 0.000 3.050 464 N HA -0.005 4.736 4.740 0.002 0.000 0.289 464 N C 0.940 176.277 175.510 -0.289 0.000 1.209 464 N CA 0.252 53.158 53.050 -0.240 0.000 1.154 464 N CB -0.568 37.817 38.487 -0.171 0.000 1.444 464 N HN 0.048 nan 8.380 nan 0.000 0.529 465 T N -1.861 112.457 114.554 -0.394 0.000 3.051 465 T HA -0.117 4.235 4.350 0.002 0.000 0.269 465 T C 1.334 175.893 174.700 -0.235 0.000 1.127 465 T CA 0.855 62.628 62.100 -0.545 0.000 1.107 465 T CB 0.035 68.348 68.868 -0.924 0.000 0.898 465 T HN 0.542 nan 8.240 nan 0.000 0.517 466 E N 0.816 120.918 120.200 -0.163 0.000 2.047 466 E HA -0.101 4.250 4.350 0.002 0.000 0.191 466 E C 2.262 178.829 176.600 -0.055 0.000 0.987 466 E CA 1.174 57.522 56.400 -0.085 0.000 0.799 466 E CB -0.255 29.401 29.700 -0.073 0.000 0.752 466 E HN 0.493 nan 8.360 nan 0.000 0.449 467 S N -0.497 115.162 115.700 -0.069 0.000 2.475 467 S HA 0.295 4.766 4.470 0.002 0.000 0.224 467 S C 0.568 175.142 174.600 -0.044 0.000 1.042 467 S CA 0.262 58.434 58.200 -0.047 0.000 0.935 467 S CB 0.104 63.275 63.200 -0.049 0.000 0.801 467 S HN 0.444 nan 8.310 nan 0.000 0.509 468 A N 1.767 124.546 122.820 -0.068 0.000 2.540 468 A HA 0.586 4.907 4.320 0.002 0.000 0.239 468 A C 0.506 178.082 177.584 -0.014 0.000 1.061 468 A CA 0.192 52.187 52.037 -0.070 0.000 0.758 468 A CB -0.198 18.726 19.000 -0.127 0.000 0.991 468 A HN 0.603 nan 8.150 nan 0.000 0.502 469 A N 1.540 124.338 122.820 -0.037 0.000 2.445 469 A HA 0.547 4.868 4.320 0.002 0.000 0.242 469 A C 0.588 178.132 177.584 -0.066 0.000 1.075 469 A CA 0.475 52.495 52.037 -0.030 0.000 0.777 469 A CB -0.034 18.956 19.000 -0.017 0.000 1.013 469 A HN 2.320 nan 8.150 nan 0.000 0.493 470 A N 1.872 124.640 122.820 -0.088 0.000 2.414 470 A HA 0.694 5.015 4.320 0.002 0.000 0.306 470 A C -0.881 176.595 177.584 -0.179 0.000 1.054 470 A CA -0.426 51.483 52.037 -0.214 0.000 0.724 470 A CB 1.104 19.904 19.000 -0.334 0.000 1.267 470 A HN 0.841 nan 8.150 nan 0.000 0.418 471 L N 3.071 124.146 121.223 -0.246 0.000 2.343 471 L HA 0.499 4.841 4.340 0.002 0.000 0.278 471 L C -0.393 176.325 176.870 -0.252 0.000 0.996 471 L CA -1.014 53.696 54.840 -0.217 0.000 0.831 471 L CB 1.836 43.708 42.059 -0.312 0.000 1.232 471 L HN 0.682 nan 8.230 nan 0.000 0.413 472 V N 3.211 123.033 119.914 -0.154 0.000 2.465 472 V HA 0.638 4.759 4.120 0.002 0.000 0.279 472 V C -0.062 175.979 176.094 -0.088 0.000 1.045 472 V CA -0.453 61.775 62.300 -0.121 0.000 0.938 472 V CB 1.176 32.963 31.823 -0.059 0.000 0.986 472 V HN 0.667 nan 8.190 nan 0.000 0.467 473 I N 2.027 122.552 120.570 -0.076 0.000 3.042 473 I HA 0.725 4.896 4.170 0.002 0.000 0.310 473 I C -1.548 174.624 176.117 0.091 0.000 1.117 473 I CA -1.230 60.062 61.300 -0.014 0.000 1.003 473 I CB 2.538 40.492 38.000 -0.077 0.000 1.228 473 I HN 0.660 nan 8.210 nan 0.000 0.443 474 Y N 3.399 123.698 120.300 -0.001 0.000 2.338 474 Y HA 0.656 5.207 4.550 0.002 0.000 0.333 474 Y C -1.481 174.425 175.900 0.011 0.000 0.968 474 Y CA -0.786 57.316 58.100 0.004 0.000 1.123 474 Y CB 1.802 40.260 38.460 -0.005 0.000 1.165 474 Y HN 0.526 nan 8.280 nan 0.000 0.452 475 L N 9.224 130.328 121.223 -0.198 0.000 2.257 475 L HA 0.470 4.811 4.340 0.002 0.000 0.290 475 L C -2.295 174.509 176.870 -0.111 0.000 1.044 475 L CA -1.881 52.904 54.840 -0.091 0.000 0.810 475 L CB 0.766 42.796 42.059 -0.048 0.000 1.193 475 L HN 0.518 nan 8.230 nan 0.000 0.425 476 P HA 0.108 nan 4.420 nan 0.000 0.275 476 P C -0.963 176.380 177.300 0.073 0.000 1.228 476 P CA -0.621 62.585 63.100 0.176 0.000 0.786 476 P CB 0.343 32.111 31.700 0.114 0.000 0.927 477 E N 1.112 121.369 120.200 0.094 0.000 2.159 477 E HA 0.074 4.425 4.350 0.002 0.000 0.272 477 E C 0.718 177.339 176.600 0.035 0.000 1.138 477 E CA -0.551 55.876 56.400 0.044 0.000 0.915 477 E CB 0.114 29.846 29.700 0.052 0.000 1.028 477 E HN 0.250 nan 8.360 nan 0.000 0.423 478 V N 0.554 120.482 119.914 0.022 0.000 3.510 478 V HA 0.263 4.384 4.120 0.002 0.000 0.270 478 V C 0.652 176.753 176.094 0.013 0.000 1.201 478 V CA 0.757 63.070 62.300 0.022 0.000 1.166 478 V CB -0.932 30.910 31.823 0.031 0.000 0.825 478 V HN 0.711 nan 8.190 nan 0.000 0.484 483 V N -0.737 119.049 119.914 -0.213 0.000 2.448 483 V HA 0.791 4.912 4.120 0.002 0.000 0.295 483 V C -1.079 174.920 176.094 -0.159 0.000 1.025 483 V CA -0.601 61.642 62.300 -0.096 0.000 0.859 483 V CB 1.432 33.264 31.823 0.016 0.000 0.988 483 V HN 0.423 nan 8.190 nan 0.000 0.431 484 Y N 3.010 123.407 120.300 0.161 0.000 2.528 484 Y HA 0.622 5.173 4.550 0.002 0.000 0.335 484 Y C -0.000 176.018 175.900 0.196 0.000 1.093 484 Y CA -1.171 57.047 58.100 0.197 0.000 1.134 484 Y CB 1.796 40.326 38.460 0.115 0.000 1.253 484 Y HN 0.754 nan 8.280 nan 0.000 0.478 485 F N 3.694 123.768 119.950 0.206 0.000 2.529 485 F HA 0.270 4.798 4.527 0.002 0.000 0.365 485 F C -1.860 173.982 175.800 0.070 0.000 1.102 485 F CA -1.599 56.398 58.000 -0.005 0.000 1.271 485 F CB 0.402 39.227 39.000 -0.292 0.000 1.120 485 F HN 0.295 nan 8.300 nan 0.000 0.579 486 P HA 0.147 nan 4.420 nan 0.000 0.269 486 P C -1.117 176.250 177.300 0.112 0.000 1.209 486 P CA -0.243 62.831 63.100 -0.044 0.000 0.776 486 P CB 0.533 32.135 31.700 -0.164 0.000 0.876 487 A N 2.172 125.042 122.820 0.084 0.000 2.406 487 A HA 0.039 4.361 4.320 0.002 0.000 0.243 487 A C 1.375 179.027 177.584 0.115 0.000 1.082 487 A CA -0.279 51.824 52.037 0.109 0.000 0.786 487 A CB -0.371 18.662 19.000 0.056 0.000 1.029 487 A HN 0.665 nan 8.150 nan 0.000 0.495 488 L N 0.946 122.258 121.223 0.148 0.000 2.081 488 L HA -0.238 4.103 4.340 0.002 0.000 0.212 488 L C 2.495 179.385 176.870 0.033 0.000 1.080 488 L CA 2.900 57.786 54.840 0.076 0.000 0.754 488 L CB -0.787 41.322 42.059 0.083 0.000 0.893 488 L HN 0.958 nan 8.230 nan 0.000 0.433 489 E N -1.649 118.574 120.200 0.039 0.000 2.110 489 E HA -0.245 4.107 4.350 0.002 0.000 0.193 489 E C 1.921 178.523 176.600 0.004 0.000 0.988 489 E CA 1.081 57.495 56.400 0.023 0.000 0.804 489 E CB -0.360 29.351 29.700 0.019 0.000 0.745 489 E HN 0.338 nan 8.360 nan 0.000 0.458 490 K N 0.468 120.866 120.400 -0.003 0.000 2.103 490 K HA -0.027 4.294 4.320 0.002 0.000 0.204 490 K C 2.155 178.734 176.600 -0.034 0.000 1.052 490 K CA 0.641 56.907 56.287 -0.035 0.000 0.945 490 K CB -0.094 32.378 32.500 -0.048 0.000 0.722 490 K HN 0.283 nan 8.250 nan 0.000 0.443 491 I N 1.289 121.857 120.570 -0.003 0.000 2.163 491 I HA -0.243 3.928 4.170 0.002 0.000 0.240 491 I C 2.372 178.498 176.117 0.015 0.000 1.081 491 I CA 1.163 62.469 61.300 0.010 0.000 1.353 491 I CB -0.998 37.017 38.000 0.025 0.000 1.054 491 I HN 0.081 nan 8.210 nan 0.000 0.407 492 L N 0.220 121.463 121.223 0.033 0.000 2.131 492 L HA -0.197 4.144 4.340 0.002 0.000 0.210 492 L C 2.527 179.423 176.870 0.044 0.000 1.092 492 L CA 1.131 56.038 54.840 0.111 0.000 0.759 492 L CB -0.533 41.606 42.059 0.133 0.000 0.903 492 L HN 0.298 nan 8.230 nan 0.000 0.435 493 E N -0.012 120.182 120.200 -0.009 0.000 2.038 493 E HA -0.197 4.154 4.350 0.002 0.000 0.195 493 E C 1.046 177.585 176.600 -0.102 0.000 1.000 493 E CA 0.709 57.073 56.400 -0.060 0.000 0.803 493 E CB 0.016 29.675 29.700 -0.068 0.000 0.750 493 E HN 0.126 nan 8.360 nan 0.000 0.448 512 R N 1.913 122.388 120.500 -0.041 0.000 2.094 512 R HA -0.115 4.226 4.340 0.002 0.000 0.239 512 R C 1.610 177.800 176.300 -0.183 0.000 1.137 512 R CA 2.515 58.552 56.100 -0.105 0.000 0.943 512 R CB -0.418 29.818 30.300 -0.107 0.000 0.850 512 R HN 0.652 nan 8.270 nan 0.000 0.433 513 E N 0.028 120.126 120.200 -0.169 0.000 2.072 513 E HA -0.153 4.198 4.350 0.002 0.000 0.191 513 E C 2.013 178.556 176.600 -0.094 0.000 0.985 513 E CA 0.691 56.984 56.400 -0.178 0.000 0.801 513 E CB -0.213 29.456 29.700 -0.052 0.000 0.750 513 E HN 0.134 nan 8.360 nan 0.000 0.452 514 I N 1.371 121.912 120.570 -0.050 0.000 2.454 514 I HA -0.218 3.953 4.170 0.002 0.000 0.254 514 I C 1.995 178.095 176.117 -0.029 0.000 1.156 514 I CA 0.886 62.172 61.300 -0.024 0.000 1.433 514 I CB 0.091 38.089 38.000 -0.003 0.000 1.082 514 I HN 0.104 nan 8.210 nan 0.000 0.432 515 L N -2.020 119.174 121.223 -0.049 0.000 2.354 515 L HA 0.242 4.583 4.340 0.002 0.000 0.212 515 L C 1.357 178.185 176.870 -0.069 0.000 1.091 515 L CA 0.815 55.624 54.840 -0.051 0.000 0.828 515 L CB -0.912 41.114 42.059 -0.055 0.000 0.973 515 L HN -0.013 nan 8.230 nan 0.000 0.461 516 E N 2.692 122.831 120.200 -0.102 0.000 2.110 516 E HA 0.218 4.569 4.350 0.002 0.000 0.300 516 E C -0.529 176.026 176.600 -0.075 0.000 1.278 516 E CA -0.227 56.101 56.400 -0.120 0.000 1.365 516 E CB 0.009 29.562 29.700 -0.245 0.000 1.283 516 E HN 0.416 nan 8.360 nan 0.000 0.490 523 L N -1.209 119.875 121.223 -0.232 0.000 2.409 523 L HA 0.650 4.991 4.340 0.002 0.000 0.262 523 L C -0.968 175.729 176.870 -0.288 0.000 0.992 523 L CA -1.096 53.567 54.840 -0.295 0.000 0.817 523 L CB 1.026 42.987 42.059 -0.163 0.000 1.350 523 L HN 0.431 nan 8.230 nan 0.000 0.411 524 Y N 0.304 120.541 120.300 -0.104 0.000 2.296 524 Y HA 0.078 4.629 4.550 0.002 0.000 0.343 524 Y C 1.520 177.356 175.900 -0.108 0.000 1.292 524 Y CA 0.239 58.290 58.100 -0.082 0.000 1.490 524 Y CB 0.507 38.946 38.460 -0.036 0.000 1.359 524 Y HN 0.792 nan 8.280 nan 0.000 0.599 525 E N 0.446 120.759 120.200 0.188 0.000 2.110 525 E HA -0.244 4.107 4.350 0.002 0.000 0.193 525 E C 1.820 178.480 176.600 0.100 0.000 0.988 525 E CA 2.132 58.597 56.400 0.109 0.000 0.804 525 E CB -0.267 29.502 29.700 0.115 0.000 0.745 525 E HN 0.845 nan 8.360 nan 0.000 0.458 526 H N -1.128 117.994 119.070 0.088 0.000 2.423 526 H HA 0.113 4.670 4.556 0.002 0.000 0.297 526 H C 1.779 177.153 175.328 0.077 0.000 1.075 526 H CA 1.235 57.323 56.048 0.067 0.000 1.342 526 H CB -0.186 29.604 29.762 0.046 0.000 1.395 526 H HN 0.215 nan 8.280 nan 0.000 0.530 527 E N 1.237 121.168 120.200 -0.448 0.000 2.077 527 E HA -0.138 4.213 4.350 0.002 0.000 0.193 527 E C 2.021 178.575 176.600 -0.076 0.000 0.989 527 E CA 1.103 57.350 56.400 -0.255 0.000 0.800 527 E CB 0.007 29.552 29.700 -0.258 0.000 0.746 527 E HN 0.549 nan 8.360 nan 0.000 0.452 528 K N 0.779 121.151 120.400 -0.047 0.000 2.063 528 K HA -0.180 4.141 4.320 0.002 0.000 0.208 528 K C 1.789 178.430 176.600 0.069 0.000 1.048 528 K CA 1.625 57.917 56.287 0.008 0.000 0.928 528 K CB -0.069 32.428 32.500 -0.006 0.000 0.713 528 K HN 0.040 nan 8.250 nan 0.000 0.442 529 D N 0.730 121.174 120.400 0.074 0.000 2.117 529 D HA -0.151 4.490 4.640 0.002 0.000 0.197 529 D C 1.731 178.118 176.300 0.145 0.000 0.987 529 D CA 0.656 54.732 54.000 0.127 0.000 0.829 529 D CB -0.136 40.731 40.800 0.112 0.000 0.961 529 D HN -0.012 nan 8.370 nan 0.000 0.460 530 L N 0.748 122.027 121.223 0.093 0.000 2.017 530 L HA -0.110 4.231 4.340 0.002 0.000 0.208 530 L C 2.274 179.185 176.870 0.069 0.000 1.073 530 L CA 1.171 56.055 54.840 0.072 0.000 0.745 530 L CB -0.859 41.227 42.059 0.045 0.000 0.894 530 L HN -0.045 nan 8.230 nan 0.000 0.432 531 V N -0.929 119.028 119.914 0.071 0.000 2.287 531 V HA -0.352 3.769 4.120 0.002 0.000 0.248 531 V C 2.281 178.450 176.094 0.124 0.000 1.053 531 V CA 2.152 64.498 62.300 0.076 0.000 1.027 531 V CB -0.803 31.063 31.823 0.071 0.000 0.646 531 V HN 0.645 nan 8.190 nan 0.000 0.447 532 W N 1.455 122.742 121.300 -0.022 0.000 2.381 532 W HA -0.234 4.427 4.660 0.002 0.000 0.301 532 W C 2.524 179.029 176.519 -0.024 0.000 1.205 532 W CA 2.028 59.350 57.345 -0.038 0.000 1.285 532 W CB -0.078 29.349 29.460 -0.055 0.000 1.133 532 W HN 0.265 nan 8.180 nan 0.000 0.521 533 K N 0.672 121.077 120.400 0.008 0.000 2.063 533 K HA -0.206 4.115 4.320 0.002 0.000 0.208 533 K C 1.666 178.211 176.600 -0.091 0.000 1.048 533 K CA 1.850 58.100 56.287 -0.061 0.000 0.928 533 K CB -0.628 31.898 32.500 0.044 0.000 0.713 533 K HN -0.034 nan 8.250 nan 0.000 0.442 534 M N 1.750 121.325 119.600 -0.042 0.000 2.551 534 M HA 0.094 4.575 4.480 0.002 0.000 0.252 534 M C 1.012 177.296 176.300 -0.027 0.000 1.219 534 M CA 0.309 55.611 55.300 0.002 0.000 0.978 534 M CB -0.201 32.428 32.600 0.048 0.000 1.533 534 M HN 0.256 nan 8.290 nan 0.000 0.474 535 R N -0.640 119.741 120.500 -0.197 0.000 2.117 535 R HA -0.194 4.147 4.340 0.002 0.000 0.243 535 R C 1.250 177.429 176.300 -0.202 0.000 1.143 535 R CA 1.952 57.904 56.100 -0.246 0.000 0.968 535 R CB -1.036 28.921 30.300 -0.571 0.000 0.863 535 R HN 0.378 nan 8.270 nan 0.000 0.444 536 H N 0.615 119.639 119.070 -0.077 0.000 2.387 536 H HA -0.012 4.545 4.556 0.002 0.000 0.299 536 H C 1.881 177.182 175.328 -0.045 0.000 1.090 536 H CA 1.538 57.547 56.048 -0.066 0.000 1.332 536 H CB 0.106 29.831 29.762 -0.061 0.000 1.386 536 H HN 0.305 nan 8.280 nan 0.000 0.516 537 E N 0.455 120.745 120.200 0.150 0.000 2.152 537 E HA -0.079 4.272 4.350 0.002 0.000 0.192 537 E C 2.489 179.243 176.600 0.258 0.000 0.983 537 E CA 0.439 56.977 56.400 0.229 0.000 0.818 537 E CB -0.400 29.455 29.700 0.258 0.000 0.758 537 E HN 0.297 nan 8.360 nan 0.000 0.467 538 V N 1.814 121.861 119.914 0.221 0.000 2.255 538 V HA -0.302 3.819 4.120 0.002 0.000 0.247 538 V C 2.709 178.834 176.094 0.053 0.000 1.051 538 V CA 2.216 64.695 62.300 0.298 0.000 1.018 538 V CB -0.628 31.370 31.823 0.291 0.000 0.641 538 V HN 0.283 nan 8.190 nan 0.000 0.445 539 Q N -0.167 119.457 119.800 -0.293 0.000 2.030 539 Q HA -0.279 4.062 4.340 0.002 0.000 0.204 539 Q C 2.261 177.855 176.000 -0.676 0.000 0.986 539 Q CA 2.318 57.513 55.803 -1.013 0.000 0.843 539 Q CB -0.105 28.101 28.738 -0.888 0.000 0.904 539 Q HN 0.736 nan 8.270 nan 0.000 0.420 540 E N -1.510 118.425 120.200 -0.443 0.000 2.152 540 E HA -0.149 4.202 4.350 0.002 0.000 0.192 540 E C 1.272 177.439 176.600 -0.721 0.000 0.983 540 E CA 1.136 57.198 56.400 -0.564 0.000 0.818 540 E CB 0.163 29.519 29.700 -0.572 0.000 0.758 540 E HN 0.541 nan 8.360 nan 0.000 0.467 541 H N -2.662 116.220 119.070 -0.314 0.000 3.205 541 H HA 0.191 4.748 4.556 0.002 0.000 0.252 541 H C -0.273 174.547 175.328 -0.847 0.000 1.015 541 H CA -0.031 55.667 56.048 -0.584 0.000 1.192 541 H CB 0.778 30.108 29.762 -0.720 0.000 1.474 541 H HN -0.036 nan 8.280 nan 0.000 0.484 542 F N 1.130 121.107 119.950 0.045 0.000 2.623 542 F HA 0.284 4.812 4.527 0.002 0.000 0.361 542 F C -1.937 173.932 175.800 0.114 0.000 1.469 542 F CA -2.124 55.922 58.000 0.078 0.000 1.126 542 F CB 1.223 40.284 39.000 0.102 0.000 1.221 542 F HN -0.020 nan 8.300 nan 0.000 0.536 543 P HA -0.201 nan 4.420 nan 0.000 0.217 543 P C 0.802 178.432 177.300 0.549 0.000 1.148 543 P CA 1.576 64.814 63.100 0.230 0.000 0.828 543 P CB 0.307 31.992 31.700 -0.025 0.000 0.783 544 E N -0.468 119.932 120.200 0.333 0.000 2.511 544 E HA 0.073 4.424 4.350 0.002 0.000 0.196 544 E C 1.456 178.189 176.600 0.222 0.000 1.066 544 E CA 0.245 56.801 56.400 0.261 0.000 0.871 544 E CB -0.212 29.597 29.700 0.182 0.000 0.863 544 E HN 0.222 nan 8.360 nan 0.000 0.520 545 A N 0.721 123.712 122.820 0.286 0.000 2.415 545 A HA 0.080 4.401 4.320 0.002 0.000 0.248 545 A C 1.665 179.336 177.584 0.146 0.000 1.299 545 A CA -0.200 51.954 52.037 0.196 0.000 0.899 545 A CB -0.153 18.958 19.000 0.185 0.000 0.997 545 A HN 0.186 nan 8.150 nan 0.000 0.506 546 L N 0.075 121.350 121.223 0.086 0.000 2.021 546 L HA -0.218 4.123 4.340 0.002 0.000 0.215 546 L C 2.529 179.235 176.870 -0.272 0.000 1.074 546 L CA 2.583 57.215 54.840 -0.347 0.000 0.760 546 L CB -0.723 40.815 42.059 -0.868 0.000 0.889 546 L HN 0.394 nan 8.230 nan 0.000 0.433 547 A N -0.548 122.147 122.820 -0.208 0.000 1.908 547 A HA -0.285 4.036 4.320 0.002 0.000 0.218 547 A C 2.547 180.207 177.584 0.127 0.000 1.181 547 A CA 1.980 53.938 52.037 -0.131 0.000 0.627 547 A CB -0.706 18.184 19.000 -0.183 0.000 0.818 547 A HN 0.546 nan 8.150 nan 0.000 0.445 548 R N -0.909 119.641 120.500 0.083 0.000 2.081 548 R HA -0.139 4.202 4.340 0.002 0.000 0.235 548 R C 2.052 178.412 176.300 0.100 0.000 1.131 548 R CA 1.720 57.876 56.100 0.092 0.000 0.960 548 R CB -0.410 29.924 30.300 0.057 0.000 0.856 548 R HN 0.443 nan 8.270 nan 0.000 0.436 549 L N 1.004 122.281 121.223 0.090 0.000 2.083 549 L HA -0.101 4.240 4.340 0.002 0.000 0.209 549 L C 1.902 178.854 176.870 0.136 0.000 1.083 549 L CA 1.566 56.477 54.840 0.119 0.000 0.752 549 L CB -0.281 41.847 42.059 0.114 0.000 0.899 549 L HN 0.243 nan 8.230 nan 0.000 0.433 550 L N -1.233 120.076 121.223 0.144 0.000 2.083 550 L HA -0.212 4.130 4.340 0.002 0.000 0.209 550 L C 2.325 179.426 176.870 0.385 0.000 1.083 550 L CA 1.087 56.114 54.840 0.312 0.000 0.752 550 L CB -0.492 41.821 42.059 0.424 0.000 0.899 550 L HN 0.281 nan 8.230 nan 0.000 0.433 551 L N -0.465 120.921 121.223 0.271 0.000 2.478 551 L HA -0.073 4.268 4.340 0.002 0.000 0.223 551 L C 2.157 179.077 176.870 0.084 0.000 1.140 551 L CA 0.323 55.258 54.840 0.158 0.000 0.842 551 L CB -0.231 41.878 42.059 0.082 0.000 0.953 551 L HN 0.259 nan 8.230 nan 0.000 0.452 552 V N -4.758 115.193 119.914 0.061 0.000 3.471 552 V HA 0.080 4.201 4.120 0.002 0.000 0.258 552 V C 1.328 177.309 176.094 -0.188 0.000 1.192 552 V CA 0.258 62.547 62.300 -0.019 0.000 1.116 552 V CB -0.391 31.455 31.823 0.039 0.000 0.792 552 V HN 0.382 nan 8.190 nan 0.000 0.459 553 T N 0.942 115.339 114.554 -0.262 0.000 2.918 553 T HA 0.208 4.559 4.350 0.002 0.000 0.302 553 T C 0.124 174.364 174.700 -0.766 0.000 1.045 553 T CA -0.397 61.254 62.100 -0.749 0.000 1.114 553 T CB 0.636 68.998 68.868 -0.843 0.000 0.965 553 T HN 0.389 nan 8.240 nan 0.000 0.540 554 K N 3.776 123.659 120.400 -0.862 0.000 2.219 554 K HA 0.090 4.411 4.320 0.002 0.000 0.280 554 K C 0.138 176.434 176.600 -0.506 0.000 1.104 554 K CA -0.087 55.874 56.287 -0.544 0.000 0.925 554 K CB 0.317 32.536 32.500 -0.467 0.000 1.261 554 K HN 0.811 nan 8.250 nan 0.000 0.445 555 W N 1.391 122.540 121.300 -0.252 0.000 2.699 555 W HA -0.108 4.553 4.660 0.002 0.000 0.249 555 W C 1.563 177.926 176.519 -0.259 0.000 1.280 555 W CA 0.296 57.455 57.345 -0.310 0.000 1.345 555 W CB -0.005 29.149 29.460 -0.511 0.000 1.128 555 W HN 0.535 nan 8.180 nan 0.000 0.642 556 N N 0.244 118.930 118.700 -0.023 0.000 2.314 556 N HA -0.005 4.736 4.740 0.002 0.000 0.200 556 N C -0.310 175.187 175.510 -0.022 0.000 1.135 556 N CA 0.438 53.478 53.050 -0.017 0.000 0.835 556 N CB -0.091 38.379 38.487 -0.028 0.000 0.989 556 N HN -0.159 nan 8.380 nan 0.000 0.478 557 K N 1.172 121.528 120.400 -0.073 0.000 2.545 557 K HA 0.124 4.445 4.320 0.002 0.000 0.252 557 K C 0.782 177.325 176.600 -0.096 0.000 0.948 557 K CA -0.531 55.697 56.287 -0.099 0.000 0.827 557 K CB 1.012 33.404 32.500 -0.179 0.000 1.128 557 K HN 0.256 nan 8.250 nan 0.000 0.429 558 H N 1.379 120.458 119.070 0.015 0.000 2.421 558 H HA 0.015 4.572 4.556 0.002 0.000 0.298 558 H C 0.700 176.048 175.328 0.034 0.000 1.087 558 H CA 1.154 57.232 56.048 0.050 0.000 1.330 558 H CB 0.450 30.258 29.762 0.076 0.000 1.388 558 H HN 0.570 nan 8.280 nan 0.000 0.526 559 E N 0.935 120.883 120.200 -0.420 0.000 2.058 559 E HA -0.164 4.187 4.350 0.002 0.000 0.194 559 E C 1.674 178.241 176.600 -0.055 0.000 0.997 559 E CA 1.667 57.951 56.400 -0.193 0.000 0.801 559 E CB 0.042 29.608 29.700 -0.223 0.000 0.746 559 E HN 0.567 nan 8.360 nan 0.000 0.450 560 D N -0.174 120.163 120.400 -0.104 0.000 2.144 560 D HA -0.124 4.517 4.640 0.002 0.000 0.200 560 D C 1.988 178.232 176.300 -0.092 0.000 0.978 560 D CA 0.659 54.611 54.000 -0.080 0.000 0.833 560 D CB -0.103 40.445 40.800 -0.420 0.000 0.961 560 D HN 0.002 nan 8.370 nan 0.000 0.470 561 V N 1.069 120.884 119.914 -0.165 0.000 2.343 561 V HA -0.239 3.882 4.120 0.002 0.000 0.247 561 V C 2.449 178.551 176.094 0.014 0.000 1.051 561 V CA 1.742 63.952 62.300 -0.150 0.000 1.036 561 V CB -0.883 30.954 31.823 0.024 0.000 0.654 561 V HN 0.224 nan 8.190 nan 0.000 0.451 562 A N -0.412 122.446 122.820 0.063 0.000 1.883 562 A HA -0.325 3.997 4.320 0.002 0.000 0.217 562 A C 2.188 179.819 177.584 0.078 0.000 1.186 562 A CA 2.200 54.280 52.037 0.073 0.000 0.624 562 A CB -0.564 18.472 19.000 0.060 0.000 0.822 562 A HN 0.646 nan 8.150 nan 0.000 0.444 563 Q N -1.885 117.969 119.800 0.090 0.000 2.124 563 Q HA -0.205 4.136 4.340 0.002 0.000 0.202 563 Q C 2.100 178.161 176.000 0.103 0.000 0.977 563 Q CA 1.651 57.509 55.803 0.093 0.000 0.850 563 Q CB -0.314 28.488 28.738 0.107 0.000 0.901 563 Q HN 0.678 nan 8.270 nan 0.000 0.429 564 M N 0.527 120.210 119.600 0.137 0.000 2.099 564 M HA -0.092 4.389 4.480 0.002 0.000 0.262 564 M C 1.649 177.978 176.300 0.048 0.000 1.067 564 M CA 1.459 56.806 55.300 0.079 0.000 1.124 564 M CB -0.243 32.342 32.600 -0.025 0.000 1.353 564 M HN 0.117 nan 8.290 nan 0.000 0.410 565 L N -0.798 120.454 121.223 0.047 0.000 2.083 565 L HA -0.196 4.145 4.340 0.002 0.000 0.209 565 L C 2.394 179.277 176.870 0.022 0.000 1.083 565 L CA 1.813 56.657 54.840 0.007 0.000 0.752 565 L CB -1.470 40.557 42.059 -0.054 0.000 0.899 565 L HN 0.490 nan 8.230 nan 0.000 0.433 566 Y N -0.395 119.884 120.300 -0.033 0.000 2.181 566 Y HA -0.244 4.308 4.550 0.002 0.000 0.288 566 Y C 2.224 178.138 175.900 0.025 0.000 1.146 566 Y CA 1.572 59.663 58.100 -0.014 0.000 1.164 566 Y CB -0.151 38.303 38.460 -0.010 0.000 0.982 566 Y HN 0.081 nan 8.280 nan 0.000 0.515 567 L N -0.803 120.453 121.223 0.055 0.000 2.109 567 L HA -0.165 4.176 4.340 0.002 0.000 0.207 567 L C 2.353 179.327 176.870 0.172 0.000 1.086 567 L CA 0.838 55.716 54.840 0.062 0.000 0.760 567 L CB -0.644 41.526 42.059 0.184 0.000 0.910 567 L HN 0.310 nan 8.230 nan 0.000 0.437 568 L N -0.438 120.839 121.223 0.090 0.000 2.083 568 L HA -0.202 4.139 4.340 0.002 0.000 0.209 568 L C 2.376 179.291 176.870 0.074 0.000 1.083 568 L CA 1.690 56.529 54.840 -0.002 0.000 0.752 568 L CB -0.559 41.427 42.059 -0.122 0.000 0.899 568 L HN 0.239 nan 8.230 nan 0.000 0.433 569 C N -0.700 118.607 119.300 0.012 0.000 2.456 569 C HA 0.016 4.477 4.460 0.002 0.000 0.279 569 C C 2.569 177.568 174.990 0.015 0.000 1.427 569 C CA 0.861 59.891 59.018 0.019 0.000 1.778 569 C CB -1.394 26.314 27.740 -0.054 0.000 1.842 569 C HN 0.787 nan 8.230 nan 0.000 0.531 570 S N -2.237 113.447 115.700 -0.027 0.000 2.593 570 S HA 0.092 4.563 4.470 0.002 0.000 0.236 570 S C 0.102 174.730 174.600 0.047 0.000 0.991 570 S CA -0.415 57.761 58.200 -0.041 0.000 0.963 570 S CB -0.252 62.838 63.200 -0.184 0.000 0.865 570 S HN 0.640 nan 8.310 nan 0.000 0.488 571 W N 4.771 126.067 121.300 -0.007 0.000 2.253 571 W HA 0.318 4.980 4.660 0.002 0.000 0.322 571 W C -2.567 174.069 176.519 0.195 0.000 1.342 571 W CA -1.905 55.466 57.345 0.043 0.000 1.218 571 W CB 0.818 30.216 29.460 -0.104 0.000 1.205 571 W HN 0.164 nan 8.180 nan 0.000 0.551 572 P HA 0.004 nan 4.420 nan 0.000 0.272 572 P C -0.503 177.025 177.300 0.380 0.000 1.223 572 P CA 0.373 63.582 63.100 0.182 0.000 0.784 572 P CB 0.845 32.553 31.700 0.015 0.000 0.923 573 E N 0.855 121.145 120.200 0.149 0.000 2.437 573 E HA 0.082 4.433 4.350 0.002 0.000 0.263 573 E C -0.053 176.609 176.600 0.104 0.000 1.030 573 E CA 0.122 56.518 56.400 -0.006 0.000 0.934 573 E CB 0.213 29.859 29.700 -0.090 0.000 0.943 573 E HN 0.364 nan 8.360 nan 0.000 0.444 574 L N 3.227 124.490 121.223 0.067 0.000 2.332 574 L HA 0.439 4.780 4.340 0.002 0.000 0.269 574 L C -2.187 174.706 176.870 0.038 0.000 1.016 574 L CA -2.505 52.410 54.840 0.125 0.000 0.809 574 L CB 1.117 43.302 42.059 0.211 0.000 1.280 574 L HN 0.266 nan 8.230 nan 0.000 0.447 575 P HA -0.016 nan 4.420 nan 0.000 0.269 575 P C 0.878 178.189 177.300 0.019 0.000 1.217 575 P CA -0.214 62.908 63.100 0.037 0.000 0.783 575 P CB 0.664 32.396 31.700 0.053 0.000 0.898 576 V N 1.866 121.793 119.914 0.022 0.000 2.324 576 V HA -0.251 3.870 4.120 0.002 0.000 0.250 576 V C 2.223 178.320 176.094 0.005 0.000 1.060 576 V CA 1.927 64.238 62.300 0.018 0.000 1.042 576 V CB -1.054 30.811 31.823 0.070 0.000 0.650 576 V HN 0.529 nan 8.190 nan 0.000 0.450 577 L N 0.125 121.369 121.223 0.035 0.000 2.013 577 L HA -0.183 4.158 4.340 0.002 0.000 0.212 577 L C 2.529 179.436 176.870 0.062 0.000 1.073 577 L CA 2.488 57.367 54.840 0.065 0.000 0.753 577 L CB -0.751 41.362 42.059 0.090 0.000 0.890 577 L HN 0.333 nan 8.230 nan 0.000 0.432 578 S N -0.267 115.452 115.700 0.030 0.000 2.368 578 S HA -0.121 4.351 4.470 0.002 0.000 0.225 578 S C 2.081 176.610 174.600 -0.119 0.000 1.030 578 S CA 1.038 59.221 58.200 -0.028 0.000 0.999 578 S CB -0.674 62.544 63.200 0.030 0.000 0.844 578 S HN 0.665 nan 8.310 nan 0.000 0.459 579 A N 1.358 124.128 122.820 -0.084 0.000 1.972 579 A HA 0.022 4.343 4.320 0.002 0.000 0.219 579 A C 2.070 179.559 177.584 -0.157 0.000 1.169 579 A CA 1.002 52.969 52.037 -0.116 0.000 0.635 579 A CB -0.670 18.259 19.000 -0.118 0.000 0.810 579 A HN 0.457 nan 8.150 nan 0.000 0.446 580 L N -0.942 120.185 121.223 -0.160 0.000 2.093 580 L HA -0.180 4.161 4.340 0.002 0.000 0.208 580 L C 2.598 179.323 176.870 -0.242 0.000 1.085 580 L CA 1.672 56.408 54.840 -0.174 0.000 0.755 580 L CB -0.418 41.540 42.059 -0.168 0.000 0.904 580 L HN 0.584 nan 8.230 nan 0.000 0.435 581 E N 0.749 120.668 120.200 -0.469 0.000 2.110 581 E HA -0.215 4.136 4.350 0.002 0.000 0.193 581 E C 2.243 178.677 176.600 -0.276 0.000 0.988 581 E CA 0.980 57.054 56.400 -0.544 0.000 0.804 581 E CB -0.010 29.219 29.700 -0.785 0.000 0.745 581 E HN 0.483 nan 8.360 nan 0.000 0.458 582 L N 0.703 121.695 121.223 -0.385 0.000 2.465 582 L HA -0.085 4.257 4.340 0.002 0.000 0.224 582 L C 2.067 178.866 176.870 -0.119 0.000 1.145 582 L CA 0.271 54.808 54.840 -0.504 0.000 0.834 582 L CB -0.091 41.715 42.059 -0.421 0.000 0.944 582 L HN 0.229 nan 8.230 nan 0.000 0.451 583 L N -0.736 120.464 121.223 -0.038 0.000 2.554 583 L HA -0.009 4.332 4.340 0.002 0.000 0.226 583 L C 0.635 177.605 176.870 0.166 0.000 1.137 583 L CA -0.118 54.753 54.840 0.052 0.000 0.863 583 L CB -0.390 41.680 42.059 0.017 0.000 0.985 583 L HN 0.200 nan 8.230 nan 0.000 0.451 584 D N -0.643 119.887 120.400 0.217 0.000 2.423 584 D HA -0.137 4.504 4.640 0.002 0.000 0.238 584 D C 0.930 177.280 176.300 0.083 0.000 1.142 584 D CA -0.046 54.084 54.000 0.217 0.000 0.884 584 D CB 0.675 41.610 40.800 0.224 0.000 1.199 584 D HN 0.014 nan 8.370 nan 0.000 0.438 585 F N 1.980 121.713 119.950 -0.361 0.000 2.373 585 F HA -0.135 4.394 4.527 0.002 0.000 0.300 585 F C 2.092 177.575 175.800 -0.529 0.000 1.080 585 F CA 0.993 58.585 58.000 -0.681 0.000 1.417 585 F CB -0.215 38.020 39.000 -1.276 0.000 1.070 585 F HN 0.280 nan 8.300 nan 0.000 0.546 586 S N -0.473 114.870 115.700 -0.595 0.000 2.547 586 S HA -0.072 4.399 4.470 0.002 0.000 0.235 586 S C 0.156 174.022 174.600 -1.223 0.000 0.980 586 S CA 0.450 58.083 58.200 -0.944 0.000 0.941 586 S CB -0.626 61.928 63.200 -1.075 0.000 0.763 586 S HN 0.281 nan 8.310 nan 0.000 0.532 587 F N 1.031 120.727 119.950 -0.423 0.000 2.622 587 F HA 0.345 4.873 4.527 0.002 0.000 0.338 587 F C -1.931 173.590 175.800 -0.465 0.000 1.334 587 F CA -2.246 55.518 58.000 -0.393 0.000 1.179 587 F CB 1.044 39.909 39.000 -0.225 0.000 1.471 587 F HN -0.055 nan 8.300 nan 0.000 0.576 588 P HA -0.084 nan 4.420 nan 0.000 0.227 588 P C 0.254 177.295 177.300 -0.432 0.000 1.161 588 P CA 0.600 63.324 63.100 -0.627 0.000 0.788 588 P CB 0.261 31.332 31.700 -1.048 0.000 0.822 589 D N -0.077 120.075 120.400 -0.414 0.000 2.443 589 D HA -0.045 4.596 4.640 0.002 0.000 0.239 589 D C 1.407 177.655 176.300 -0.086 0.000 1.136 589 D CA -0.137 53.751 54.000 -0.187 0.000 0.879 589 D CB 0.758 41.492 40.800 -0.109 0.000 1.195 589 D HN 0.129 nan 8.370 nan 0.000 0.443 590 C N 2.674 121.912 119.300 -0.103 0.000 2.446 590 C HA -0.044 4.417 4.460 0.002 0.000 0.279 590 C C 2.206 177.095 174.990 -0.169 0.000 1.366 590 C CA 0.046 58.968 59.018 -0.160 0.000 1.763 590 C CB -1.654 25.936 27.740 -0.248 0.000 1.929 590 C HN 0.710 nan 8.230 nan 0.000 0.509 591 Y N 1.833 122.154 120.300 0.036 0.000 2.200 591 Y HA -0.048 4.503 4.550 0.002 0.000 0.290 591 Y C 2.854 178.800 175.900 0.076 0.000 1.137 591 Y CA 1.634 59.775 58.100 0.068 0.000 1.163 591 Y CB -0.875 37.640 38.460 0.091 0.000 0.988 591 Y HN 0.161 nan 8.280 nan 0.000 0.518 592 V N -0.337 119.692 119.914 0.191 0.000 2.287 592 V HA -0.281 3.840 4.120 0.002 0.000 0.248 592 V C 2.539 178.682 176.094 0.082 0.000 1.053 592 V CA 2.048 64.402 62.300 0.089 0.000 1.027 592 V CB -1.450 30.395 31.823 0.036 0.000 0.646 592 V HN 0.569 nan 8.190 nan 0.000 0.447 593 G N -1.270 107.551 108.800 0.036 0.000 2.422 593 G HA2 -0.283 3.678 3.960 0.002 0.000 0.218 593 G HA3 -0.283 3.678 3.960 0.002 0.000 0.218 593 G C 1.921 176.829 174.900 0.013 0.000 1.146 593 G CA 1.263 46.369 45.100 0.012 0.000 0.769 593 G HN 0.497 nan 8.290 nan 0.000 0.547 594 S N -0.459 115.262 115.700 0.035 0.000 2.371 594 S HA -0.057 4.414 4.470 0.002 0.000 0.224 594 S C 2.037 176.672 174.600 0.058 0.000 1.029 594 S CA 1.101 59.319 58.200 0.031 0.000 0.978 594 S CB -0.409 62.814 63.200 0.038 0.000 0.833 594 S HN 0.357 nan 8.310 nan 0.000 0.466 595 F N 2.472 122.412 119.950 -0.017 0.000 2.091 595 F HA -0.099 4.429 4.527 0.002 0.000 0.299 595 F C 2.297 178.044 175.800 -0.089 0.000 1.103 595 F CA 1.482 59.460 58.000 -0.038 0.000 1.228 595 F CB -0.815 38.157 39.000 -0.047 0.000 0.984 595 F HN 0.288 nan 8.300 nan 0.000 0.477 596 A N 0.960 123.818 122.820 0.064 0.000 1.865 596 A HA -0.201 4.120 4.320 0.002 0.000 0.217 596 A C 2.193 179.647 177.584 -0.218 0.000 1.191 596 A CA 2.004 53.996 52.037 -0.075 0.000 0.623 596 A CB -1.102 17.864 19.000 -0.056 0.000 0.826 596 A HN 0.419 nan 8.150 nan 0.000 0.444 597 I N -0.030 120.408 120.570 -0.220 0.000 2.163 597 I HA -0.240 3.931 4.170 0.002 0.000 0.243 597 I C 2.375 178.282 176.117 -0.351 0.000 1.085 597 I CA 2.040 63.124 61.300 -0.360 0.000 1.347 597 I CB -1.285 36.542 38.000 -0.289 0.000 1.044 597 I HN 0.450 nan 8.210 nan 0.000 0.408 598 K N 0.790 121.030 120.400 -0.267 0.000 2.074 598 K HA -0.171 4.150 4.320 0.002 0.000 0.209 598 K C 2.213 178.640 176.600 -0.287 0.000 1.048 598 K CA 1.864 58.002 56.287 -0.248 0.000 0.926 598 K CB 0.028 32.380 32.500 -0.246 0.000 0.713 598 K HN 0.121 nan 8.250 nan 0.000 0.444 599 S N 0.517 115.982 115.700 -0.391 0.000 2.481 599 S HA 0.032 4.503 4.470 0.002 0.000 0.231 599 S C 1.469 175.953 174.600 -0.193 0.000 0.996 599 S CA 0.565 58.582 58.200 -0.305 0.000 0.942 599 S CB 0.038 63.025 63.200 -0.356 0.000 0.768 599 S HN 0.269 nan 8.310 nan 0.000 0.520 600 L N 0.548 121.625 121.223 -0.243 0.000 2.558 600 L HA 0.187 4.528 4.340 0.002 0.000 0.225 600 L C 2.203 178.989 176.870 -0.139 0.000 1.128 600 L CA 0.195 54.906 54.840 -0.215 0.000 0.868 600 L CB -0.135 41.705 42.059 -0.365 0.000 1.006 600 L HN 0.153 nan 8.230 nan 0.000 0.454 601 R N 1.015 121.445 120.500 -0.117 0.000 2.193 601 R HA -0.149 4.192 4.340 0.002 0.000 0.229 601 R C 1.924 178.293 176.300 0.115 0.000 1.110 601 R CA 1.082 57.237 56.100 0.092 0.000 0.988 601 R CB -0.138 30.198 30.300 0.059 0.000 0.871 601 R HN 0.431 nan 8.270 nan 0.000 0.458 602 K N 0.736 121.164 120.400 0.047 0.000 2.525 602 K HA 0.027 4.348 4.320 0.002 0.000 0.192 602 K C 0.290 176.935 176.600 0.075 0.000 1.029 602 K CA 0.236 56.554 56.287 0.052 0.000 1.029 602 K CB -0.044 32.469 32.500 0.022 0.000 0.814 602 K HN 0.085 nan 8.250 nan 0.000 0.503 603 L N 3.777 125.067 121.223 0.112 0.000 2.578 603 L HA -0.042 4.299 4.340 0.002 0.000 0.279 603 L C 0.867 177.797 176.870 0.100 0.000 1.227 603 L CA 0.044 54.961 54.840 0.128 0.000 0.900 603 L CB 0.218 42.403 42.059 0.209 0.000 1.144 603 L HN 0.342 nan 8.230 nan 0.000 0.496 604 T N -1.444 113.143 114.554 0.055 0.000 2.860 604 T HA 0.018 4.369 4.350 0.002 0.000 0.299 604 T C 0.903 175.619 174.700 0.027 0.000 1.045 604 T CA -0.835 61.284 62.100 0.032 0.000 1.071 604 T CB 0.931 69.803 68.868 0.006 0.000 0.985 604 T HN 0.524 nan 8.240 nan 0.000 0.537 605 D N 0.644 121.056 120.400 0.019 0.000 2.182 605 D HA -0.102 4.540 4.640 0.002 0.000 0.201 605 D C 1.616 177.928 176.300 0.020 0.000 0.986 605 D CA 1.139 55.149 54.000 0.018 0.000 0.847 605 D CB -0.153 40.646 40.800 -0.002 0.000 0.942 605 D HN 0.606 nan 8.370 nan 0.000 0.467 606 D N 0.631 121.025 120.400 -0.010 0.000 2.117 606 D HA -0.105 4.536 4.640 0.002 0.000 0.198 606 D C 1.978 178.226 176.300 -0.088 0.000 0.982 606 D CA 0.714 54.705 54.000 -0.016 0.000 0.828 606 D CB -0.108 40.663 40.800 -0.050 0.000 0.967 606 D HN 0.376 nan 8.370 nan 0.000 0.464 607 E N 0.019 120.125 120.200 -0.157 0.000 2.051 607 E HA -0.152 4.199 4.350 0.002 0.000 0.192 607 E C 2.079 178.409 176.600 -0.450 0.000 0.991 607 E CA 0.292 56.460 56.400 -0.386 0.000 0.799 607 E CB -0.083 29.502 29.700 -0.192 0.000 0.748 607 E HN 0.076 nan 8.360 nan 0.000 0.449 608 L N 0.738 121.897 121.223 -0.107 0.000 2.012 608 L HA -0.199 4.142 4.340 0.002 0.000 0.210 608 L C 2.107 178.981 176.870 0.007 0.000 1.073 608 L CA 1.666 56.521 54.840 0.026 0.000 0.748 608 L CB -0.700 41.419 42.059 0.099 0.000 0.891 608 L HN 0.089 nan 8.230 nan 0.000 0.431 609 F N 0.357 120.230 119.950 -0.129 0.000 2.095 609 F HA -0.271 4.257 4.527 0.002 0.000 0.298 609 F C 2.623 178.307 175.800 -0.193 0.000 1.104 609 F CA 2.085 60.011 58.000 -0.124 0.000 1.232 609 F CB -0.693 38.233 39.000 -0.125 0.000 0.987 609 F HN 0.301 nan 8.300 nan 0.000 0.475 610 Q N -0.425 119.085 119.800 -0.484 0.000 2.181 610 Q HA -0.215 4.126 4.340 0.002 0.000 0.205 610 Q C 1.193 176.952 176.000 -0.402 0.000 0.980 610 Q CA 1.923 57.363 55.803 -0.605 0.000 0.862 610 Q CB -0.600 27.739 28.738 -0.665 0.000 0.905 610 Q HN 0.578 nan 8.270 nan 0.000 0.429 611 Y N -1.099 119.086 120.300 -0.191 0.000 2.485 611 Y HA 0.187 4.738 4.550 0.002 0.000 0.260 611 Y C 1.161 176.982 175.900 -0.132 0.000 1.173 611 Y CA -0.653 57.354 58.100 -0.154 0.000 1.252 611 Y CB -0.332 38.076 38.460 -0.086 0.000 1.123 611 Y HN 0.090 nan 8.280 nan 0.000 0.524 612 L N 0.377 121.575 121.223 -0.041 0.000 2.042 612 L HA -0.185 4.156 4.340 0.002 0.000 0.210 612 L C 2.206 179.018 176.870 -0.097 0.000 1.076 612 L CA 1.483 56.329 54.840 0.011 0.000 0.749 612 L CB -0.868 41.252 42.059 0.102 0.000 0.893 612 L HN 0.304 nan 8.230 nan 0.000 0.432 613 L N -0.696 120.387 121.223 -0.234 0.000 2.043 613 L HA -0.266 4.075 4.340 0.002 0.000 0.212 613 L C 2.390 179.088 176.870 -0.287 0.000 1.075 613 L CA 1.873 56.437 54.840 -0.460 0.000 0.752 613 L CB -0.736 41.086 42.059 -0.394 0.000 0.891 613 L HN 0.363 nan 8.230 nan 0.000 0.432 614 Q N -0.694 119.002 119.800 -0.175 0.000 2.123 614 Q HA -0.051 4.290 4.340 0.002 0.000 0.199 614 Q C 2.213 178.155 176.000 -0.095 0.000 0.966 614 Q CA 1.714 57.434 55.803 -0.138 0.000 0.845 614 Q CB -0.376 28.293 28.738 -0.114 0.000 0.907 614 Q HN 0.522 nan 8.270 nan 0.000 0.439 615 L N -0.617 120.582 121.223 -0.040 0.000 2.083 615 L HA -0.165 4.176 4.340 0.002 0.000 0.209 615 L C 2.085 178.940 176.870 -0.026 0.000 1.083 615 L CA 0.674 55.517 54.840 0.007 0.000 0.752 615 L CB -0.486 41.630 42.059 0.094 0.000 0.899 615 L HN 0.106 nan 8.230 nan 0.000 0.433 616 V N -0.725 119.140 119.914 -0.081 0.000 2.343 616 V HA -0.257 3.865 4.120 0.002 0.000 0.247 616 V C 2.569 178.612 176.094 -0.086 0.000 1.051 616 V CA 1.408 63.634 62.300 -0.123 0.000 1.036 616 V CB -0.492 31.210 31.823 -0.201 0.000 0.654 616 V HN 0.467 nan 8.190 nan 0.000 0.451 617 Q N -0.271 119.453 119.800 -0.128 0.000 2.124 617 Q HA -0.130 4.212 4.340 0.002 0.000 0.202 617 Q C 2.344 178.192 176.000 -0.254 0.000 0.977 617 Q CA 1.368 57.074 55.803 -0.161 0.000 0.850 617 Q CB -0.850 27.765 28.738 -0.205 0.000 0.901 617 Q HN 0.547 nan 8.270 nan 0.000 0.429 618 V N 1.313 121.106 119.914 -0.201 0.000 2.720 618 V HA -0.221 3.900 4.120 0.002 0.000 0.256 618 V C 2.294 178.334 176.094 -0.090 0.000 1.082 618 V CA 1.027 63.214 62.300 -0.188 0.000 1.101 618 V CB -0.643 31.177 31.823 -0.005 0.000 0.693 618 V HN 0.283 nan 8.190 nan 0.000 0.479 619 L N -0.465 120.745 121.223 -0.021 0.000 2.187 619 L HA -0.225 4.116 4.340 0.002 0.000 0.213 619 L C 2.434 179.319 176.870 0.024 0.000 1.100 619 L CA 1.589 56.468 54.840 0.066 0.000 0.765 619 L CB -0.614 41.548 42.059 0.172 0.000 0.904 619 L HN 0.296 nan 8.230 nan 0.000 0.437 620 K N -1.050 119.293 120.400 -0.095 0.000 2.362 620 K HA -0.146 4.175 4.320 0.002 0.000 0.200 620 K C 1.557 178.068 176.600 -0.148 0.000 1.046 620 K CA 0.944 57.114 56.287 -0.196 0.000 0.952 620 K CB -0.008 32.305 32.500 -0.312 0.000 0.753 620 K HN 0.226 nan 8.250 nan 0.000 0.466 621 Y N 1.451 121.681 120.300 -0.115 0.000 2.523 621 Y HA 0.095 4.647 4.550 0.002 0.000 0.279 621 Y C 0.557 176.432 175.900 -0.041 0.000 1.139 621 Y CA -0.252 57.770 58.100 -0.130 0.000 1.296 621 Y CB -0.042 38.406 38.460 -0.020 0.000 1.045 621 Y HN -0.095 nan 8.280 nan 0.000 0.538 622 E N -0.056 120.211 120.200 0.112 0.000 2.392 622 E HA 0.038 4.389 4.350 0.002 0.000 0.264 622 E C 0.787 177.366 176.600 -0.034 0.000 1.024 622 E CA 0.181 56.615 56.400 0.056 0.000 0.903 622 E CB 1.338 31.074 29.700 0.061 0.000 0.963 622 E HN 0.079 nan 8.360 nan 0.000 0.432 623 S N 1.594 117.218 115.700 -0.127 0.000 2.470 623 S HA 0.055 4.526 4.470 0.002 0.000 0.222 623 S C -0.176 174.049 174.600 -0.625 0.000 1.024 623 S CA 0.444 58.395 58.200 -0.415 0.000 0.931 623 S CB 0.141 62.967 63.200 -0.623 0.000 0.791 623 S HN 0.378 nan 8.310 nan 0.000 0.513 624 Y N -0.573 119.758 120.300 0.051 0.000 2.605 624 Y HA 0.476 5.027 4.550 0.001 0.000 0.343 624 Y C 0.799 176.711 175.900 0.020 0.000 1.036 624 Y CA -1.069 57.062 58.100 0.051 0.000 1.065 624 Y CB 0.796 39.318 38.460 0.104 0.000 1.288 624 Y HN -0.189 nan 8.280 nan 0.000 0.481 625 L N 0.057 121.369 121.223 0.149 0.000 2.044 625 L HA -0.042 4.300 4.340 0.002 0.000 0.205 625 L C 0.323 177.318 176.870 0.208 0.000 1.075 625 L CA 1.183 56.008 54.840 -0.025 0.000 0.747 625 L CB -0.002 41.903 42.059 -0.258 0.000 0.903 625 L HN 0.580 nan 8.230 nan 0.000 0.435 626 D N 0.507 121.121 120.400 0.357 0.000 2.365 626 D HA 0.246 4.887 4.640 0.002 0.000 0.237 626 D C -0.580 175.847 176.300 0.213 0.000 1.190 626 D CA -0.262 53.952 54.000 0.356 0.000 0.867 626 D CB 0.546 41.500 40.800 0.258 0.000 1.050 626 D HN 0.237 nan 8.370 nan 0.000 0.491 627 C N 2.409 121.814 119.300 0.174 0.000 3.171 627 C HA 0.521 4.982 4.460 0.002 0.000 0.308 627 C C 1.356 176.386 174.990 0.066 0.000 1.334 627 C CA -0.763 58.324 59.018 0.116 0.000 1.473 627 C CB 1.790 29.611 27.740 0.134 0.000 1.866 627 C HN 0.481 nan 8.230 nan 0.000 0.465 628 E N 0.235 120.457 120.200 0.037 0.000 2.110 628 E HA -0.164 4.187 4.350 0.002 0.000 0.193 628 E C 1.731 178.372 176.600 0.068 0.000 0.988 628 E CA 1.236 57.648 56.400 0.020 0.000 0.804 628 E CB -0.225 29.472 29.700 -0.006 0.000 0.745 628 E HN 0.756 nan 8.360 nan 0.000 0.458 629 L N 1.063 122.336 121.223 0.082 0.000 2.056 629 L HA -0.121 4.220 4.340 0.002 0.000 0.207 629 L C 2.183 179.162 176.870 0.183 0.000 1.078 629 L CA 1.848 56.771 54.840 0.138 0.000 0.749 629 L CB -0.832 41.289 42.059 0.103 0.000 0.901 629 L HN 0.008 nan 8.230 nan 0.000 0.433 630 T N -0.451 114.184 114.554 0.137 0.000 2.746 630 T HA -0.234 4.117 4.350 0.002 0.000 0.267 630 T C 1.820 176.574 174.700 0.089 0.000 1.039 630 T CA 1.800 63.983 62.100 0.138 0.000 1.142 630 T CB -0.208 68.785 68.868 0.209 0.000 0.866 630 T HN 0.327 nan 8.240 nan 0.000 0.444 631 K N 0.869 121.272 120.400 0.006 0.000 2.026 631 K HA -0.095 4.226 4.320 0.002 0.000 0.208 631 K C 1.932 178.522 176.600 -0.017 0.000 1.048 631 K CA 1.309 57.486 56.287 -0.184 0.000 0.929 631 K CB -0.676 31.637 32.500 -0.313 0.000 0.713 631 K HN 0.272 nan 8.250 nan 0.000 0.439 632 F N 1.272 121.198 119.950 -0.039 0.000 2.065 632 F HA -0.166 4.362 4.527 0.003 0.000 0.298 632 F C 1.596 177.443 175.800 0.078 0.000 1.112 632 F CA 1.740 59.757 58.000 0.027 0.000 1.212 632 F CB -0.358 38.654 39.000 0.019 0.000 0.975 632 F HN 0.026 nan 8.300 nan 0.000 0.476 633 L N -0.759 120.466 121.223 0.005 0.000 2.056 633 L HA -0.209 4.132 4.340 0.002 0.000 0.207 633 L C 2.424 179.277 176.870 -0.028 0.000 1.078 633 L CA 0.597 55.383 54.840 -0.090 0.000 0.749 633 L CB -0.768 41.321 42.059 0.051 0.000 0.901 633 L HN 0.226 nan 8.230 nan 0.000 0.433 634 L N 0.185 121.462 121.223 0.090 0.000 2.046 634 L HA -0.086 4.255 4.340 0.002 0.000 0.208 634 L C 2.505 179.537 176.870 0.270 0.000 1.077 634 L CA 2.060 57.032 54.840 0.220 0.000 0.747 634 L CB -1.480 40.748 42.059 0.283 0.000 0.896 634 L HN 0.183 nan 8.230 nan 0.000 0.432 635 G N -0.974 108.014 108.800 0.313 0.000 2.446 635 G HA2 -0.258 3.703 3.960 0.002 0.000 0.217 635 G HA3 -0.258 3.703 3.960 0.002 0.000 0.217 635 G C 1.705 176.625 174.900 0.033 0.000 1.168 635 G CA 0.401 45.653 45.100 0.254 0.000 0.771 635 G HN 0.229 nan 8.290 nan 0.000 0.551 636 R N 0.777 121.203 120.500 -0.122 0.000 2.092 636 R HA 0.063 4.404 4.340 0.002 0.000 0.231 636 R C 2.917 179.207 176.300 -0.016 0.000 1.119 636 R CA 1.231 57.236 56.100 -0.158 0.000 0.970 636 R CB -1.143 28.916 30.300 -0.401 0.000 0.864 636 R HN 0.361 nan 8.270 nan 0.000 0.440 637 A N 1.076 123.920 122.820 0.041 0.000 1.933 637 A HA -0.070 4.252 4.320 0.002 0.000 0.218 637 A C 2.297 180.068 177.584 0.312 0.000 1.175 637 A CA 1.019 53.148 52.037 0.154 0.000 0.628 637 A CB -0.458 18.617 19.000 0.126 0.000 0.814 637 A HN 0.193 nan 8.150 nan 0.000 0.444 638 L N -1.253 120.121 121.223 0.253 0.000 2.313 638 L HA -0.024 4.317 4.340 0.002 0.000 0.214 638 L C 2.614 179.570 176.870 0.142 0.000 1.119 638 L CA 0.699 55.645 54.840 0.176 0.000 0.809 638 L CB -0.181 41.882 42.059 0.006 0.000 0.933 638 L HN 0.424 nan 8.230 nan 0.000 0.449 639 A N -1.047 121.849 122.820 0.127 0.000 2.238 639 A HA 0.050 4.371 4.320 0.002 0.000 0.210 639 A C 0.652 178.378 177.584 0.237 0.000 1.179 639 A CA 0.213 52.333 52.037 0.138 0.000 0.827 639 A CB -0.034 18.993 19.000 0.045 0.000 0.856 639 A HN 0.356 nan 8.150 nan 0.000 0.488 640 N N -0.412 118.383 118.700 0.158 0.000 2.572 640 N HA 0.133 4.874 4.740 0.002 0.000 0.287 640 N C 0.083 175.483 175.510 -0.182 0.000 1.136 640 N CA -0.394 52.613 53.050 -0.072 0.000 0.900 640 N CB 1.115 39.572 38.487 -0.052 0.000 1.484 640 N HN 0.211 nan 8.380 nan 0.000 0.526 641 R N 2.643 122.776 120.500 -0.612 0.000 2.189 641 R HA -0.011 4.330 4.340 0.002 0.000 0.223 641 R C 1.562 177.703 176.300 -0.264 0.000 1.092 641 R CA 1.093 56.865 56.100 -0.547 0.000 0.989 641 R CB 0.295 29.943 30.300 -1.086 0.000 0.876 641 R HN 0.519 nan 8.270 nan 0.000 0.457 642 K N 0.424 120.680 120.400 -0.240 0.000 2.025 642 K HA -0.096 4.225 4.320 0.002 0.000 0.207 642 K C 1.901 178.566 176.600 0.108 0.000 1.049 642 K CA 1.113 57.343 56.287 -0.095 0.000 0.933 642 K CB 0.053 32.452 32.500 -0.168 0.000 0.714 642 K HN 0.071 nan 8.250 nan 0.000 0.438 643 I N 1.178 121.790 120.570 0.070 0.000 2.208 643 I HA -0.170 4.001 4.170 0.002 0.000 0.245 643 I C 2.470 178.672 176.117 0.142 0.000 1.097 643 I CA 1.685 63.086 61.300 0.168 0.000 1.363 643 I CB -1.744 36.311 38.000 0.091 0.000 1.051 643 I HN 0.373 nan 8.210 nan 0.000 0.413 644 G N -0.170 108.690 108.800 0.099 0.000 2.418 644 G HA2 -0.326 3.635 3.960 0.002 0.000 0.217 644 G HA3 -0.326 3.635 3.960 0.002 0.000 0.217 644 G C 1.640 176.514 174.900 -0.043 0.000 1.158 644 G CA 1.296 46.395 45.100 -0.003 0.000 0.771 644 G HN 0.490 nan 8.290 nan 0.000 0.545 645 H N -0.295 118.814 119.070 0.064 0.000 2.293 645 H HA -0.017 4.540 4.556 0.001 0.000 0.300 645 H C 2.160 177.426 175.328 -0.103 0.000 1.082 645 H CA 1.795 57.834 56.048 -0.015 0.000 1.308 645 H CB -0.230 29.439 29.762 -0.155 0.000 1.375 645 H HN 0.323 nan 8.280 nan 0.000 0.495 646 F N -0.412 119.695 119.950 0.261 0.000 2.259 646 F HA -0.038 4.491 4.527 0.004 0.000 0.298 646 F C 2.291 178.046 175.800 -0.074 0.000 1.088 646 F CA 0.656 58.730 58.000 0.123 0.000 1.358 646 F CB -0.506 38.666 39.000 0.286 0.000 1.040 646 F HN 0.233 nan 8.300 nan 0.000 0.505 647 L N -0.437 120.856 121.223 0.116 0.000 2.017 647 L HA -0.203 4.138 4.340 0.002 0.000 0.208 647 L C 2.287 179.057 176.870 -0.167 0.000 1.073 647 L CA 1.628 56.467 54.840 -0.002 0.000 0.745 647 L CB -1.130 40.884 42.059 -0.076 0.000 0.894 647 L HN 0.152 nan 8.230 nan 0.000 0.432 648 F N -0.651 119.042 119.950 -0.429 0.000 2.065 648 F HA -0.291 4.238 4.527 0.003 0.000 0.298 648 F C 1.911 177.414 175.800 -0.494 0.000 1.112 648 F CA 2.166 59.828 58.000 -0.563 0.000 1.212 648 F CB -0.805 37.709 39.000 -0.809 0.000 0.975 648 F HN 0.154 nan 8.300 nan 0.000 0.476 649 W N -0.338 120.781 121.300 -0.302 0.000 2.388 649 W HA -0.170 4.490 4.660 0.000 0.000 0.294 649 W C 2.746 179.115 176.519 -0.249 0.000 1.212 649 W CA 1.305 58.455 57.345 -0.325 0.000 1.271 649 W CB -0.644 28.696 29.460 -0.201 0.000 1.126 649 W HN 0.085 nan 8.180 nan 0.000 0.535 650 H N 0.035 119.142 119.070 0.062 0.000 2.352 650 H HA -0.126 4.431 4.556 0.002 0.000 0.299 650 H C 2.146 177.396 175.328 -0.130 0.000 1.097 650 H CA 1.647 57.693 56.048 -0.003 0.000 1.311 650 H CB -0.815 28.928 29.762 -0.032 0.000 1.377 650 H HN 0.235 nan 8.280 nan 0.000 0.504 651 L N -0.079 121.015 121.223 -0.216 0.000 2.072 651 L HA -0.087 4.254 4.340 0.002 0.000 0.205 651 L C 2.750 179.530 176.870 -0.151 0.000 1.079 651 L CA 0.853 55.488 54.840 -0.343 0.000 0.752 651 L CB -0.265 41.486 42.059 -0.514 0.000 0.906 651 L HN 0.068 nan 8.230 nan 0.000 0.436 652 R N 1.044 121.274 120.500 -0.450 0.000 2.105 652 R HA -0.156 4.185 4.340 0.002 0.000 0.239 652 R C 2.438 178.742 176.300 0.007 0.000 1.135 652 R CA 1.854 57.717 56.100 -0.396 0.000 0.967 652 R CB -0.713 29.024 30.300 -0.939 0.000 0.861 652 R HN 0.460 nan 8.270 nan 0.000 0.442 653 S N -0.537 115.235 115.700 0.120 0.000 2.507 653 S HA -0.030 4.441 4.470 0.002 0.000 0.235 653 S C 0.918 175.689 174.600 0.286 0.000 0.988 653 S CA 0.909 59.248 58.200 0.233 0.000 0.944 653 S CB -0.102 63.242 63.200 0.241 0.000 0.762 653 S HN 0.506 nan 8.310 nan 0.000 0.526 654 E N 0.042 120.378 120.200 0.227 0.000 2.548 654 E HA 0.248 4.599 4.350 0.002 0.000 0.206 654 E C 0.795 177.380 176.600 -0.025 0.000 1.005 654 E CA -0.296 56.160 56.400 0.094 0.000 0.951 654 E CB 0.124 29.897 29.700 0.122 0.000 1.035 654 E HN 0.435 nan 8.360 nan 0.000 0.470 655 M N 1.047 120.716 119.600 0.115 0.000 2.358 655 M HA -0.118 4.363 4.480 0.002 0.000 0.264 655 M C 1.953 178.277 176.300 0.040 0.000 1.064 655 M CA 1.353 56.694 55.300 0.067 0.000 1.093 655 M CB -0.973 31.679 32.600 0.088 0.000 1.401 655 M HN 0.306 nan 8.290 nan 0.000 0.440 656 H N -0.822 118.260 119.070 0.019 0.000 2.556 656 H HA 0.198 4.755 4.556 0.001 0.000 0.268 656 H C -0.118 175.210 175.328 0.001 0.000 0.996 656 H CA 0.184 56.241 56.048 0.015 0.000 1.157 656 H CB -0.741 29.036 29.762 0.026 0.000 1.355 656 H HN 0.104 nan 8.280 nan 0.000 0.597 657 V N 3.903 123.541 119.914 -0.462 0.000 2.304 657 V HA 0.115 4.237 4.120 0.002 0.000 0.269 657 V C -1.430 174.552 176.094 -0.187 0.000 1.036 657 V CA -1.225 60.862 62.300 -0.354 0.000 0.840 657 V CB 1.644 33.203 31.823 -0.439 0.000 1.036 657 V HN 0.136 nan 8.190 nan 0.000 0.466 658 P HA -0.168 nan 4.420 nan 0.000 0.217 658 P C 1.841 179.179 177.300 0.063 0.000 1.148 658 P CA 1.621 64.748 63.100 0.045 0.000 0.828 658 P CB 0.191 31.993 31.700 0.169 0.000 0.783 659 S N -1.162 114.502 115.700 -0.061 0.000 2.447 659 S HA -0.083 4.388 4.470 0.002 0.000 0.233 659 S C 1.607 176.058 174.600 -0.248 0.000 1.006 659 S CA 1.395 59.473 58.200 -0.205 0.000 0.957 659 S CB -1.331 61.530 63.200 -0.565 0.000 0.773 659 S HN 0.174 nan 8.310 nan 0.000 0.507 660 V N -2.946 116.755 119.914 -0.355 0.000 3.502 660 V HA 0.681 4.802 4.120 0.002 0.000 0.288 660 V C 2.239 178.057 176.094 -0.460 0.000 1.461 660 V CA 0.126 62.065 62.300 -0.602 0.000 1.029 660 V CB -0.627 30.487 31.823 -1.181 0.000 0.843 660 V HN 0.394 nan 8.190 nan 0.000 0.438 661 A N 1.475 124.161 122.820 -0.224 0.000 1.908 661 A HA -0.151 4.171 4.320 0.002 0.000 0.218 661 A C 2.058 179.661 177.584 0.031 0.000 1.181 661 A CA 2.441 54.434 52.037 -0.073 0.000 0.627 661 A CB -0.548 18.433 19.000 -0.033 0.000 0.818 661 A HN 0.592 nan 8.150 nan 0.000 0.445 662 L N -0.080 121.156 121.223 0.023 0.000 1.961 662 L HA -0.144 4.197 4.340 0.002 0.000 0.210 662 L C 2.475 179.343 176.870 -0.003 0.000 1.072 662 L CA 2.637 57.532 54.840 0.091 0.000 0.749 662 L CB -0.871 41.211 42.059 0.039 0.000 0.889 662 L HN 0.493 nan 8.230 nan 0.000 0.432 663 R N -1.486 118.966 120.500 -0.080 0.000 2.096 663 R HA -0.228 4.113 4.340 0.002 0.000 0.240 663 R C 2.267 178.647 176.300 0.133 0.000 1.139 663 R CA 2.178 58.227 56.100 -0.084 0.000 0.952 663 R CB -0.444 29.831 30.300 -0.042 0.000 0.854 663 R HN 0.363 nan 8.270 nan 0.000 0.436 664 F N 0.090 119.986 119.950 -0.090 0.000 2.146 664 F HA 0.085 4.613 4.527 0.001 0.000 0.298 664 F C 2.498 178.291 175.800 -0.011 0.000 1.096 664 F CA 1.064 59.029 58.000 -0.060 0.000 1.275 664 F CB -1.345 37.614 39.000 -0.070 0.000 1.008 664 F HN 0.213 nan 8.300 nan 0.000 0.480 665 G N 0.377 109.327 108.800 0.249 0.000 2.476 665 G HA2 -0.236 3.726 3.960 0.002 0.000 0.218 665 G HA3 -0.236 3.726 3.960 0.002 0.000 0.218 665 G C 1.897 176.951 174.900 0.256 0.000 1.164 665 G CA 0.915 46.204 45.100 0.315 0.000 0.768 665 G HN 0.332 nan 8.290 nan 0.000 0.560 666 L N 0.014 121.232 121.223 -0.008 0.000 2.046 666 L HA -0.010 4.331 4.340 0.002 0.000 0.208 666 L C 2.877 179.861 176.870 0.190 0.000 1.077 666 L CA 0.654 55.389 54.840 -0.175 0.000 0.747 666 L CB -0.352 41.385 42.059 -0.536 0.000 0.896 666 L HN 0.215 nan 8.230 nan 0.000 0.432 667 I N -0.741 119.929 120.570 0.165 0.000 2.226 667 I HA -0.335 3.836 4.170 0.002 0.000 0.245 667 I C 2.605 178.848 176.117 0.210 0.000 1.100 667 I CA 1.510 62.953 61.300 0.239 0.000 1.374 667 I CB -0.241 37.830 38.000 0.118 0.000 1.057 667 I HN 0.258 nan 8.210 nan 0.000 0.413 668 M N -0.075 119.623 119.600 0.164 0.000 2.132 668 M HA -0.219 4.262 4.480 0.002 0.000 0.263 668 M C 2.346 178.804 176.300 0.262 0.000 1.065 668 M CA 1.644 57.071 55.300 0.211 0.000 1.122 668 M CB -0.486 32.204 32.600 0.149 0.000 1.365 668 M HN 0.238 nan 8.290 nan 0.000 0.411 669 E N 0.724 121.067 120.200 0.238 0.000 2.049 669 E HA -0.253 4.098 4.350 0.002 0.000 0.198 669 E C 1.939 178.643 176.600 0.174 0.000 1.007 669 E CA 1.724 58.252 56.400 0.214 0.000 0.809 669 E CB -0.036 29.803 29.700 0.232 0.000 0.749 669 E HN 0.474 nan 8.360 nan 0.000 0.450 670 A N 0.375 123.305 122.820 0.184 0.000 1.883 670 A HA -0.242 4.079 4.320 0.002 0.000 0.217 670 A C 2.109 179.778 177.584 0.143 0.000 1.186 670 A CA 1.780 53.900 52.037 0.138 0.000 0.624 670 A CB -1.160 17.918 19.000 0.129 0.000 0.822 670 A HN 0.624 nan 8.150 nan 0.000 0.444 671 Y N 0.350 120.707 120.300 0.096 0.000 2.128 671 Y HA -0.329 4.222 4.550 0.001 0.000 0.284 671 Y C 2.647 178.579 175.900 0.054 0.000 1.154 671 Y CA 1.652 59.801 58.100 0.082 0.000 1.149 671 Y CB -0.877 37.639 38.460 0.094 0.000 0.976 671 Y HN 0.401 nan 8.280 nan 0.000 0.505 672 C N 0.941 120.279 119.300 0.063 0.000 2.401 672 C HA -0.214 4.247 4.460 0.002 0.000 0.276 672 C C 2.669 177.609 174.990 -0.084 0.000 1.233 672 C CA 1.174 60.167 59.018 -0.041 0.000 1.753 672 C CB -1.168 26.599 27.740 0.045 0.000 2.029 672 C HN 0.525 nan 8.230 nan 0.000 0.478 673 R N 0.680 121.158 120.500 -0.037 0.000 2.117 673 R HA -0.096 4.246 4.340 0.002 0.000 0.243 673 R C 2.284 178.526 176.300 -0.096 0.000 1.143 673 R CA 1.739 57.813 56.100 -0.042 0.000 0.968 673 R CB -1.385 28.909 30.300 -0.011 0.000 0.863 673 R HN 0.639 nan 8.270 nan 0.000 0.444 674 G N -0.964 107.738 108.800 -0.163 0.000 2.880 674 G HA2 -0.062 3.899 3.960 0.002 0.000 0.209 674 G HA3 -0.062 3.899 3.960 0.002 0.000 0.209 674 G C 0.195 174.940 174.900 -0.258 0.000 1.157 674 G CA 0.185 45.158 45.100 -0.212 0.000 0.779 674 G HN 0.258 nan 8.290 nan 0.000 0.539 675 S N -0.705 114.821 115.700 -0.290 0.000 2.385 675 S HA 0.330 4.801 4.470 0.002 0.000 0.191 675 S C 1.148 175.705 174.600 -0.071 0.000 1.196 675 S CA -0.261 57.844 58.200 -0.159 0.000 1.178 675 S CB 0.341 63.465 63.200 -0.126 0.000 1.258 675 S HN 0.044 nan 8.310 nan 0.000 0.430 676 T N 3.134 117.675 114.554 -0.023 0.000 2.720 676 T HA -0.161 4.190 4.350 0.002 0.000 0.268 676 T C 1.617 176.344 174.700 0.044 0.000 1.037 676 T CA 1.597 63.698 62.100 0.002 0.000 1.144 676 T CB -0.432 68.443 68.868 0.012 0.000 0.864 676 T HN 0.777 nan 8.240 nan 0.000 0.444 677 H N 0.304 119.390 119.070 0.027 0.000 2.326 677 H HA -0.088 4.470 4.556 0.004 0.000 0.301 677 H C 2.260 177.660 175.328 0.120 0.000 1.081 677 H CA 1.778 57.868 56.048 0.071 0.000 1.334 677 H CB -0.353 29.468 29.762 0.098 0.000 1.385 677 H HN 0.569 nan 8.280 nan 0.000 0.504 678 H N -0.052 119.083 119.070 0.108 0.000 2.423 678 H HA -0.106 4.451 4.556 0.001 0.000 0.297 678 H C 2.622 177.907 175.328 -0.072 0.000 1.075 678 H CA 0.879 56.963 56.048 0.059 0.000 1.342 678 H CB 0.132 29.965 29.762 0.119 0.000 1.395 678 H HN 0.351 nan 8.280 nan 0.000 0.530 679 M N 1.011 120.554 119.600 -0.096 0.000 2.082 679 M HA -0.229 4.252 4.480 0.002 0.000 0.258 679 M C 1.823 178.005 176.300 -0.198 0.000 1.069 679 M CA 1.918 57.096 55.300 -0.203 0.000 1.102 679 M CB -0.025 32.505 32.600 -0.117 0.000 1.336 679 M HN 0.128 nan 8.290 nan 0.000 0.404 680 K N -0.443 119.866 120.400 -0.151 0.000 2.097 680 K HA -0.083 4.238 4.320 0.002 0.000 0.205 680 K C 1.809 178.332 176.600 -0.129 0.000 1.050 680 K CA 1.432 57.633 56.287 -0.144 0.000 0.938 680 K CB -0.206 32.191 32.500 -0.172 0.000 0.718 680 K HN 0.262 nan 8.250 nan 0.000 0.442 681 V N 1.714 121.554 119.914 -0.124 0.000 2.343 681 V HA -0.228 3.893 4.120 0.002 0.000 0.247 681 V C 2.107 178.181 176.094 -0.034 0.000 1.051 681 V CA 1.597 63.889 62.300 -0.013 0.000 1.036 681 V CB -0.377 31.544 31.823 0.165 0.000 0.654 681 V HN 0.260 nan 8.190 nan 0.000 0.451 682 L N -1.258 119.838 121.223 -0.212 0.000 2.093 682 L HA -0.179 4.162 4.340 0.002 0.000 0.208 682 L C 2.513 179.277 176.870 -0.177 0.000 1.085 682 L CA 1.506 56.137 54.840 -0.349 0.000 0.755 682 L CB -0.492 40.965 42.059 -1.004 0.000 0.904 682 L HN 0.292 nan 8.230 nan 0.000 0.435 683 M N -0.250 119.256 119.600 -0.156 0.000 2.117 683 M HA -0.233 4.248 4.480 0.002 0.000 0.262 683 M C 2.384 178.690 176.300 0.011 0.000 1.065 683 M CA 1.666 56.931 55.300 -0.058 0.000 1.114 683 M CB -0.362 32.202 32.600 -0.060 0.000 1.361 683 M HN 0.057 nan 8.290 nan 0.000 0.408 684 K N 0.856 121.261 120.400 0.009 0.000 2.063 684 K HA -0.199 4.122 4.320 0.002 0.000 0.208 684 K C 1.776 178.422 176.600 0.076 0.000 1.048 684 K CA 1.821 58.131 56.287 0.038 0.000 0.928 684 K CB -0.238 32.285 32.500 0.038 0.000 0.713 684 K HN 0.374 nan 8.250 nan 0.000 0.442 685 Q N -0.771 119.105 119.800 0.127 0.000 2.050 685 Q HA -0.063 4.278 4.340 0.002 0.000 0.202 685 Q C 2.206 178.354 176.000 0.247 0.000 0.980 685 Q CA 1.606 57.531 55.803 0.204 0.000 0.840 685 Q CB -0.438 28.523 28.738 0.372 0.000 0.898 685 Q HN 0.570 nan 8.270 nan 0.000 0.424 686 G N 0.921 109.902 108.800 0.301 0.000 2.422 686 G HA2 -0.282 3.679 3.960 0.002 0.000 0.218 686 G HA3 -0.282 3.679 3.960 0.002 0.000 0.218 686 G C 1.024 176.012 174.900 0.146 0.000 1.146 686 G CA 0.891 46.169 45.100 0.298 0.000 0.769 686 G HN 0.344 nan 8.290 nan 0.000 0.547 687 E N 0.553 120.803 120.200 0.083 0.000 2.110 687 E HA 0.002 4.353 4.350 0.002 0.000 0.193 687 E C 2.898 179.489 176.600 -0.015 0.000 0.988 687 E CA 0.771 57.182 56.400 0.019 0.000 0.804 687 E CB -0.181 29.520 29.700 0.001 0.000 0.745 687 E HN 0.417 nan 8.360 nan 0.000 0.458 688 A N 1.125 123.950 122.820 0.009 0.000 1.902 688 A HA -0.142 4.179 4.320 0.002 0.000 0.217 688 A C 2.185 179.736 177.584 -0.055 0.000 1.181 688 A CA 1.016 53.041 52.037 -0.020 0.000 0.623 688 A CB -0.594 18.417 19.000 0.019 0.000 0.818 688 A HN 0.134 nan 8.150 nan 0.000 0.443 689 L N -0.656 120.570 121.223 0.004 0.000 2.141 689 L HA -0.144 4.197 4.340 0.002 0.000 0.209 689 L C 2.908 179.756 176.870 -0.037 0.000 1.094 689 L CA 1.358 56.199 54.840 0.002 0.000 0.763 689 L CB -0.344 41.798 42.059 0.139 0.000 0.908 689 L HN 0.511 nan 8.230 nan 0.000 0.437 690 S N -0.322 115.377 115.700 -0.002 0.000 2.356 690 S HA -0.176 4.295 4.470 0.002 0.000 0.223 690 S C 2.147 176.690 174.600 -0.096 0.000 1.032 690 S CA 1.205 59.395 58.200 -0.017 0.000 1.005 690 S CB 0.006 63.203 63.200 -0.005 0.000 0.867 690 S HN 0.237 nan 8.310 nan 0.000 0.449 691 K N 0.956 121.256 120.400 -0.167 0.000 2.057 691 K HA 0.059 4.380 4.320 0.002 0.000 0.206 691 K C 2.150 178.669 176.600 -0.134 0.000 1.050 691 K CA 0.941 57.078 56.287 -0.251 0.000 0.935 691 K CB -0.784 31.464 32.500 -0.421 0.000 0.715 691 K HN 0.432 nan 8.250 nan 0.000 0.439 692 L N 0.966 122.014 121.223 -0.293 0.000 2.046 692 L HA -0.214 4.127 4.340 0.002 0.000 0.208 692 L C 2.522 178.994 176.870 -0.664 0.000 1.077 692 L CA 1.179 55.662 54.840 -0.594 0.000 0.747 692 L CB -0.456 40.958 42.059 -1.076 0.000 0.896 692 L HN 0.076 nan 8.230 nan 0.000 0.432 693 K N 0.764 120.884 120.400 -0.468 0.000 2.026 693 K HA -0.149 4.172 4.320 0.002 0.000 0.208 693 K C 2.008 178.650 176.600 0.070 0.000 1.048 693 K CA 1.813 58.105 56.287 0.009 0.000 0.929 693 K CB -0.477 32.120 32.500 0.161 0.000 0.713 693 K HN 0.220 nan 8.250 nan 0.000 0.439 694 A N 0.553 123.403 122.820 0.049 0.000 1.902 694 A HA -0.101 4.221 4.320 0.002 0.000 0.217 694 A C 2.169 179.852 177.584 0.165 0.000 1.181 694 A CA 1.628 53.737 52.037 0.120 0.000 0.623 694 A CB -0.768 18.312 19.000 0.132 0.000 0.818 694 A HN 0.370 nan 8.150 nan 0.000 0.443 695 L N 0.320 121.638 121.223 0.159 0.000 2.046 695 L HA -0.148 4.193 4.340 0.002 0.000 0.208 695 L C 2.003 178.958 176.870 0.141 0.000 1.077 695 L CA 2.306 57.219 54.840 0.122 0.000 0.747 695 L CB -0.725 41.389 42.059 0.091 0.000 0.896 695 L HN 0.413 nan 8.230 nan 0.000 0.432 696 N N -0.211 118.561 118.700 0.120 0.000 2.142 696 N HA -0.186 4.555 4.740 0.002 0.000 0.186 696 N C 1.463 177.045 175.510 0.121 0.000 1.023 696 N CA 1.455 54.604 53.050 0.164 0.000 0.852 696 N CB -0.173 38.514 38.487 0.334 0.000 0.998 696 N HN 0.394 nan 8.380 nan 0.000 0.424 697 D N -0.168 120.313 120.400 0.134 0.000 2.123 697 D HA -0.162 4.479 4.640 0.002 0.000 0.196 697 D C 1.705 178.041 176.300 0.061 0.000 0.992 697 D CA 0.615 54.670 54.000 0.092 0.000 0.833 697 D CB -0.582 40.280 40.800 0.104 0.000 0.954 697 D HN 0.308 nan 8.370 nan 0.000 0.455 698 F N 1.552 121.485 119.950 -0.028 0.000 2.095 698 F HA -0.249 4.280 4.527 0.004 0.000 0.298 698 F C 2.189 177.915 175.800 -0.123 0.000 1.104 698 F CA 1.211 59.172 58.000 -0.065 0.000 1.232 698 F CB -0.341 38.615 39.000 -0.074 0.000 0.987 698 F HN -0.202 nan 8.300 nan 0.000 0.475 699 V N 0.795 120.631 119.914 -0.130 0.000 2.343 699 V HA -0.329 3.792 4.120 0.002 0.000 0.247 699 V C 2.381 178.217 176.094 -0.430 0.000 1.051 699 V CA 2.349 64.402 62.300 -0.412 0.000 1.036 699 V CB -0.773 30.793 31.823 -0.428 0.000 0.654 699 V HN 0.310 nan 8.190 nan 0.000 0.451 700 K N -0.387 119.876 120.400 -0.229 0.000 2.103 700 K HA -0.152 4.169 4.320 0.002 0.000 0.207 700 K C 2.007 178.503 176.600 -0.172 0.000 1.048 700 K CA 1.486 57.685 56.287 -0.147 0.000 0.930 700 K CB -0.339 32.130 32.500 -0.051 0.000 0.716 700 K HN 0.358 nan 8.250 nan 0.000 0.444 701 V N 0.282 120.058 119.914 -0.229 0.000 2.323 701 V HA -0.212 3.909 4.120 0.002 0.000 0.244 701 V C 2.349 178.264 176.094 -0.297 0.000 1.041 701 V CA 1.954 64.117 62.300 -0.228 0.000 1.025 701 V CB -0.282 31.411 31.823 -0.217 0.000 0.656 701 V HN 0.358 nan 8.190 nan 0.000 0.451 702 S N 0.985 116.381 115.700 -0.507 0.000 2.368 702 S HA -0.193 4.279 4.470 0.002 0.000 0.225 702 S C 2.209 176.652 174.600 -0.261 0.000 1.030 702 S CA 2.089 60.002 58.200 -0.478 0.000 0.999 702 S CB -0.432 62.297 63.200 -0.785 0.000 0.844 702 S HN 0.785 nan 8.310 nan 0.000 0.459 703 S N 0.403 115.955 115.700 -0.246 0.000 2.474 703 S HA 0.003 4.474 4.470 0.002 0.000 0.235 703 S C 1.699 176.275 174.600 -0.041 0.000 0.997 703 S CA 0.613 58.762 58.200 -0.085 0.000 0.949 703 S CB -0.512 62.670 63.200 -0.030 0.000 0.766 703 S HN 0.702 nan 8.310 nan 0.000 0.517 704 Q N 0.343 120.097 119.800 -0.077 0.000 2.389 704 Q HA 0.153 4.494 4.340 0.002 0.000 0.204 704 Q C 1.307 177.280 176.000 -0.045 0.000 0.944 704 Q CA 0.763 56.538 55.803 -0.048 0.000 0.908 704 Q CB 0.029 28.736 28.738 -0.051 0.000 1.002 704 Q HN 0.509 nan 8.270 nan 0.000 0.493 705 K N -1.145 119.217 120.400 -0.062 0.000 2.380 705 K HA 0.163 4.484 4.320 0.002 0.000 0.198 705 K C 0.181 176.758 176.600 -0.037 0.000 1.070 705 K CA 0.268 56.525 56.287 -0.050 0.000 1.040 705 K CB 1.492 33.955 32.500 -0.063 0.000 0.903 705 K HN -0.115 nan 8.250 nan 0.000 0.549 706 T N -0.480 114.054 114.554 -0.034 0.000 2.787 706 T HA 0.249 4.600 4.350 0.002 0.000 0.297 706 T C -1.047 173.659 174.700 0.009 0.000 1.221 706 T CA -0.713 61.378 62.100 -0.016 0.000 1.006 706 T CB 1.176 70.030 68.868 -0.023 0.000 1.328 706 T HN 0.197 nan 8.240 nan 0.000 0.509 707 T N 0.216 114.779 114.554 0.016 0.000 2.860 707 T HA 0.275 4.627 4.350 0.002 0.000 0.299 707 T C 1.362 176.103 174.700 0.067 0.000 1.045 707 T CA -0.128 61.989 62.100 0.028 0.000 1.071 707 T CB 0.685 69.560 68.868 0.010 0.000 0.985 707 T HN 0.762 nan 8.240 nan 0.000 0.537 708 K N 1.322 121.764 120.400 0.070 0.000 2.063 708 K HA -0.053 4.268 4.320 0.002 0.000 0.208 708 K C -0.841 175.804 176.600 0.076 0.000 1.048 708 K CA 1.282 57.632 56.287 0.104 0.000 0.928 708 K CB -1.236 31.212 32.500 -0.085 0.000 0.713 708 K HN 0.450 nan 8.250 nan 0.000 0.442 709 P HA -0.164 nan 4.420 nan 0.000 0.215 709 P C 0.935 178.243 177.300 0.013 0.000 1.157 709 P CA 1.506 64.603 63.100 -0.004 0.000 0.868 709 P CB -0.014 31.678 31.700 -0.013 0.000 0.788 710 Q N -1.226 118.590 119.800 0.026 0.000 2.050 710 Q HA -0.109 4.232 4.340 0.002 0.000 0.202 710 Q C 2.153 178.179 176.000 0.043 0.000 0.980 710 Q CA 1.924 57.742 55.803 0.025 0.000 0.840 710 Q CB -0.930 27.818 28.738 0.018 0.000 0.898 710 Q HN 0.230 nan 8.270 nan 0.000 0.424 711 T N 1.027 115.625 114.554 0.072 0.000 2.788 711 T HA -0.169 4.182 4.350 0.002 0.000 0.268 711 T C 1.670 176.439 174.700 0.116 0.000 1.044 711 T CA 1.271 63.410 62.100 0.066 0.000 1.139 711 T CB -0.100 68.781 68.868 0.021 0.000 0.867 711 T HN 0.216 nan 8.240 nan 0.000 0.454 712 K N 0.878 121.372 120.400 0.157 0.000 2.057 712 K HA -0.124 4.197 4.320 0.002 0.000 0.206 712 K C 2.365 178.802 176.600 -0.272 0.000 1.050 712 K CA 1.406 57.699 56.287 0.009 0.000 0.935 712 K CB -0.081 32.395 32.500 -0.040 0.000 0.715 712 K HN 0.391 nan 8.250 nan 0.000 0.439 713 E N -0.077 120.032 120.200 -0.151 0.000 2.077 713 E HA -0.195 4.156 4.350 0.002 0.000 0.193 713 E C 1.974 178.564 176.600 -0.017 0.000 0.989 713 E CA 1.197 57.533 56.400 -0.106 0.000 0.800 713 E CB 0.103 29.787 29.700 -0.028 0.000 0.746 713 E HN 0.232 nan 8.360 nan 0.000 0.452 714 M N 0.104 119.734 119.600 0.051 0.000 2.117 714 M HA -0.159 4.323 4.480 0.002 0.000 0.262 714 M C 2.389 178.712 176.300 0.038 0.000 1.065 714 M CA 1.346 56.720 55.300 0.124 0.000 1.114 714 M CB -0.940 31.881 32.600 0.368 0.000 1.361 714 M HN 0.338 nan 8.290 nan 0.000 0.408 715 M N -0.490 119.175 119.600 0.108 0.000 2.080 715 M HA -0.258 4.223 4.480 0.002 0.000 0.260 715 M C 2.125 178.452 176.300 0.045 0.000 1.068 715 M CA 1.872 57.202 55.300 0.050 0.000 1.109 715 M CB -0.399 32.277 32.600 0.126 0.000 1.342 715 M HN 0.335 nan 8.290 nan 0.000 0.405 716 H N -0.535 118.514 119.070 -0.036 0.000 2.353 716 H HA -0.137 4.420 4.556 0.002 0.000 0.300 716 H C 2.166 177.430 175.328 -0.106 0.000 1.090 716 H CA 1.648 57.664 56.048 -0.055 0.000 1.327 716 H CB -0.116 29.639 29.762 -0.013 0.000 1.383 716 H HN 0.465 nan 8.280 nan 0.000 0.508 717 M N -0.101 119.508 119.600 0.015 0.000 2.086 717 M HA -0.214 4.267 4.480 0.002 0.000 0.261 717 M C 2.852 179.036 176.300 -0.195 0.000 1.067 717 M CA 1.016 56.271 55.300 -0.074 0.000 1.116 717 M CB -0.526 32.032 32.600 -0.069 0.000 1.348 717 M HN 0.380 nan 8.290 nan 0.000 0.407 718 C N 1.249 120.339 119.300 -0.349 0.000 2.398 718 C HA -0.200 4.261 4.460 0.002 0.000 0.276 718 C C 2.783 177.408 174.990 -0.609 0.000 1.222 718 C CA 1.279 59.938 59.018 -0.599 0.000 1.746 718 C CB -0.735 26.468 27.740 -0.895 0.000 2.039 718 C HN 0.546 nan 8.230 nan 0.000 0.470 719 M N -0.419 118.953 119.600 -0.380 0.000 2.296 719 M HA -0.074 4.407 4.480 0.002 0.000 0.265 719 M C 2.202 178.450 176.300 -0.087 0.000 1.064 719 M CA 1.385 56.559 55.300 -0.209 0.000 1.109 719 M CB -0.437 32.105 32.600 -0.098 0.000 1.396 719 M HN 0.373 nan 8.290 nan 0.000 0.430 720 R N 0.186 120.629 120.500 -0.096 0.000 2.313 720 R HA 0.072 4.414 4.340 0.002 0.000 0.199 720 R C 0.213 176.500 176.300 -0.021 0.000 0.958 720 R CA 0.086 56.158 56.100 -0.047 0.000 1.047 720 R CB -0.060 30.214 30.300 -0.043 0.000 0.955 720 R HN 0.533 nan 8.270 nan 0.000 0.481 721 Q N 0.717 120.500 119.800 -0.029 0.000 2.361 721 Q HA -0.058 4.283 4.340 0.002 0.000 0.276 721 Q C 0.624 176.674 176.000 0.083 0.000 1.022 721 Q CA 0.218 56.038 55.803 0.029 0.000 0.898 721 Q CB 0.781 29.553 28.738 0.057 0.000 1.246 721 Q HN 0.205 nan 8.270 nan 0.000 0.410 722 E N 0.678 120.913 120.200 0.060 0.000 2.085 722 E HA -0.241 4.110 4.350 0.002 0.000 0.194 722 E C 1.944 178.582 176.600 0.063 0.000 0.994 722 E CA 1.940 58.372 56.400 0.054 0.000 0.801 722 E CB -0.046 29.676 29.700 0.036 0.000 0.743 722 E HN 0.830 nan 8.360 nan 0.000 0.453 723 T N -1.086 113.510 114.554 0.069 0.000 2.759 723 T HA -0.234 4.117 4.350 0.002 0.000 0.269 723 T C 1.746 176.429 174.700 -0.028 0.000 1.042 723 T CA 1.293 63.403 62.100 0.017 0.000 1.140 723 T CB -0.519 68.349 68.868 0.001 0.000 0.864 723 T HN 0.155 nan 8.240 nan 0.000 0.455 724 Y N 0.762 121.043 120.300 -0.031 0.000 2.206 724 Y HA 0.178 4.731 4.550 0.005 0.000 0.292 724 Y C 2.883 178.764 175.900 -0.032 0.000 1.123 724 Y CA 0.764 58.840 58.100 -0.041 0.000 1.142 724 Y CB -0.382 38.039 38.460 -0.063 0.000 1.006 724 Y HN 0.031 nan 8.280 nan 0.000 0.518 725 M N 0.026 119.702 119.600 0.127 0.000 2.106 725 M HA -0.258 4.223 4.480 0.002 0.000 0.259 725 M C 2.119 178.447 176.300 0.046 0.000 1.068 725 M CA 1.595 56.930 55.300 0.058 0.000 1.100 725 M CB -1.050 31.575 32.600 0.042 0.000 1.351 725 M HN 0.357 nan 8.290 nan 0.000 0.404 726 E N -0.255 119.975 120.200 0.050 0.000 2.047 726 E HA -0.101 4.250 4.350 0.002 0.000 0.191 726 E C 1.958 178.581 176.600 0.038 0.000 0.987 726 E CA 1.305 57.740 56.400 0.058 0.000 0.799 726 E CB 0.134 29.860 29.700 0.045 0.000 0.752 726 E HN 0.444 nan 8.360 nan 0.000 0.449 727 A N 0.900 123.714 122.820 -0.010 0.000 1.969 727 A HA -0.091 4.230 4.320 0.002 0.000 0.218 727 A C 2.141 179.724 177.584 -0.003 0.000 1.169 727 A CA 0.832 52.848 52.037 -0.034 0.000 0.635 727 A CB -0.403 18.522 19.000 -0.126 0.000 0.810 727 A HN 0.237 nan 8.150 nan 0.000 0.445 728 L N -0.363 120.869 121.223 0.016 0.000 2.492 728 L HA 0.075 4.416 4.340 0.002 0.000 0.223 728 L C 0.380 177.322 176.870 0.120 0.000 1.132 728 L CA -0.062 54.819 54.840 0.068 0.000 0.850 728 L CB -0.047 42.051 42.059 0.065 0.000 0.966 728 L HN 0.165 nan 8.230 nan 0.000 0.454 729 S N -1.529 114.186 115.700 0.025 0.000 2.638 729 S HA 0.421 4.892 4.470 0.002 0.000 0.298 729 S C -0.363 174.153 174.600 -0.139 0.000 1.111 729 S CA -0.512 57.603 58.200 -0.142 0.000 1.027 729 S CB 0.883 63.835 63.200 -0.414 0.000 1.064 729 S HN 0.287 nan 8.310 nan 0.000 0.525 730 H N 0.032 119.138 119.070 0.059 0.000 2.827 730 H HA -0.132 4.425 4.556 0.001 0.000 0.330 730 H C -0.742 174.585 175.328 -0.001 0.000 1.236 730 H CA 0.710 56.768 56.048 0.017 0.000 1.165 730 H CB -2.303 27.479 29.762 0.032 0.000 1.532 730 H HN 0.593 nan 8.280 nan 0.000 0.434 731 L N -2.343 118.885 121.223 0.009 0.000 2.327 731 L HA 0.648 4.989 4.340 0.002 0.000 0.258 731 L C 0.103 176.944 176.870 -0.049 0.000 1.024 731 L CA -1.309 53.534 54.840 0.004 0.000 0.825 731 L CB 2.092 44.151 42.059 -0.000 0.000 1.386 731 L HN 0.010 nan 8.230 nan 0.000 0.417 732 Q N 1.075 120.880 119.800 0.008 0.000 2.314 732 Q HA 0.267 4.608 4.340 0.002 0.000 0.258 732 Q C -0.148 175.839 176.000 -0.022 0.000 0.954 732 Q CA -0.317 55.480 55.803 -0.011 0.000 0.890 732 Q CB 1.541 30.326 28.738 0.078 0.000 1.210 732 Q HN 0.702 nan 8.270 nan 0.000 0.410 733 S N 2.819 118.470 115.700 -0.082 0.000 2.516 733 S HA 0.081 4.552 4.470 0.002 0.000 0.282 733 S C -1.731 172.868 174.600 -0.001 0.000 1.286 733 S CA -1.368 56.785 58.200 -0.079 0.000 1.066 733 S CB 0.472 63.613 63.200 -0.097 0.000 0.884 733 S HN 0.386 nan 8.310 nan 0.000 0.491 734 P HA -0.066 nan 4.420 nan 0.000 0.219 734 P C 1.145 178.495 177.300 0.083 0.000 1.146 734 P CA 0.981 64.066 63.100 -0.025 0.000 0.808 734 P CB 0.050 31.443 31.700 -0.512 0.000 0.779 735 L N -1.611 119.650 121.223 0.064 0.000 2.201 735 L HA -0.048 4.293 4.340 0.002 0.000 0.212 735 L C 0.552 177.610 176.870 0.314 0.000 1.105 735 L CA 1.050 56.006 54.840 0.193 0.000 0.775 735 L CB -0.393 41.732 42.059 0.110 0.000 0.913 735 L HN 0.030 nan 8.230 nan 0.000 0.440 736 D N -1.598 118.879 120.400 0.127 0.000 2.296 736 D HA 0.072 4.713 4.640 0.002 0.000 0.224 736 D C -2.194 174.035 176.300 -0.118 0.000 1.324 736 D CA -1.180 52.880 54.000 0.100 0.000 0.940 736 D CB 1.172 42.031 40.800 0.098 0.000 1.492 736 D HN -0.262 nan 8.370 nan 0.000 0.531 737 P HA -0.111 nan 4.420 nan 0.000 0.228 737 P C 1.092 178.347 177.300 -0.075 0.000 1.151 737 P CA 0.677 63.574 63.100 -0.340 0.000 0.770 737 P CB 0.146 31.477 31.700 -0.615 0.000 0.786 738 S N -2.079 113.604 115.700 -0.028 0.000 2.481 738 S HA -0.001 4.470 4.470 0.002 0.000 0.231 738 S C 0.989 175.578 174.600 -0.019 0.000 0.996 738 S CA 0.337 58.572 58.200 0.057 0.000 0.942 738 S CB -1.345 61.899 63.200 0.072 0.000 0.768 738 S HN 0.034 nan 8.310 nan 0.000 0.520 739 T N 3.493 118.015 114.554 -0.055 0.000 2.743 739 T HA 0.486 4.837 4.350 0.002 0.000 0.293 739 T C -0.343 174.272 174.700 -0.141 0.000 0.945 739 T CA -0.435 61.614 62.100 -0.085 0.000 1.030 739 T CB 0.703 69.533 68.868 -0.063 0.000 0.912 739 T HN 0.265 nan 8.240 nan 0.000 0.483 740 L N 4.718 125.836 121.223 -0.175 0.000 2.264 740 L HA 0.447 4.788 4.340 0.002 0.000 0.289 740 L C -0.075 176.670 176.870 -0.209 0.000 1.044 740 L CA -0.720 53.999 54.840 -0.201 0.000 0.807 740 L CB 0.635 42.559 42.059 -0.226 0.000 1.192 740 L HN 0.407 nan 8.230 nan 0.000 0.425 741 L N 4.248 125.287 121.223 -0.306 0.000 2.268 741 L HA 0.262 4.604 4.340 0.002 0.000 0.289 741 L C 0.752 177.429 176.870 -0.321 0.000 1.064 741 L CA -0.305 54.182 54.840 -0.589 0.000 0.824 741 L CB 0.902 42.294 42.059 -1.112 0.000 1.202 741 L HN 0.693 nan 8.230 nan 0.000 0.433 742 E N 2.728 122.878 120.200 -0.083 0.000 2.611 742 E HA 0.092 4.443 4.350 0.002 0.000 0.284 742 E C 0.057 176.604 176.600 -0.087 0.000 0.800 742 E CA 0.084 56.488 56.400 0.006 0.000 1.264 742 E CB 0.188 29.949 29.700 0.102 0.000 1.735 742 E HN 0.509 nan 8.360 nan 0.000 0.526 743 E N 2.288 122.505 120.200 0.027 0.000 2.167 743 E HA 0.218 4.569 4.350 0.002 0.000 0.284 743 E C 0.094 176.696 176.600 0.003 0.000 1.016 743 E CA -0.407 55.972 56.400 -0.034 0.000 0.817 743 E CB 1.740 31.443 29.700 0.005 0.000 1.080 743 E HN -0.051 nan 8.360 nan 0.000 0.397 744 V N 3.075 122.909 119.914 -0.133 0.000 2.599 744 V HA -0.064 4.057 4.120 0.002 0.000 0.300 744 V C -0.371 175.553 176.094 -0.283 0.000 1.034 744 V CA -0.328 61.693 62.300 -0.465 0.000 1.115 744 V CB 0.246 31.807 31.823 -0.436 0.000 0.934 744 V HN 0.854 nan 8.190 nan 0.000 0.485 745 C N 7.340 126.458 119.300 -0.303 0.000 2.116 745 C HA 0.264 4.725 4.460 0.002 0.000 0.367 745 C C 1.663 176.535 174.990 -0.196 0.000 1.039 745 C CA -0.772 58.139 59.018 -0.178 0.000 1.465 745 C CB -0.897 26.776 27.740 -0.110 0.000 1.783 745 C HN 0.860 nan 8.230 nan 0.000 0.470 746 V N 2.216 121.993 119.914 -0.229 0.000 2.282 746 V HA -0.193 3.929 4.120 0.002 0.000 0.249 746 V C 2.434 178.186 176.094 -0.571 0.000 1.057 746 V CA 1.822 63.910 62.300 -0.353 0.000 1.032 746 V CB -0.272 31.357 31.823 -0.324 0.000 0.645 746 V HN 0.717 nan 8.190 nan 0.000 0.447 747 E N -0.304 119.671 120.200 -0.376 0.000 2.338 747 E HA -0.149 4.202 4.350 0.002 0.000 0.197 747 E C 2.082 178.663 176.600 -0.031 0.000 1.007 747 E CA 0.658 56.910 56.400 -0.247 0.000 0.849 747 E CB -0.082 29.574 29.700 -0.074 0.000 0.774 747 E HN 0.573 nan 8.360 nan 0.000 0.506 748 Q N -0.885 118.899 119.800 -0.027 0.000 2.319 748 Q HA 0.079 4.420 4.340 0.002 0.000 0.202 748 Q C 0.345 176.459 176.000 0.190 0.000 0.896 748 Q CA -0.006 55.850 55.803 0.088 0.000 0.942 748 Q CB -0.028 28.762 28.738 0.087 0.000 1.083 748 Q HN 0.140 nan 8.270 nan 0.000 0.510 749 C N 0.461 119.852 119.300 0.152 0.000 2.463 749 C HA 0.683 5.144 4.460 0.002 0.000 0.380 749 C C 1.068 176.290 174.990 0.387 0.000 1.264 749 C CA -0.218 58.959 59.018 0.266 0.000 2.161 749 C CB 0.825 28.645 27.740 0.134 0.000 2.515 749 C HN 0.318 nan 8.230 nan 0.000 0.565 750 T N 0.753 115.525 114.554 0.363 0.000 2.626 750 T HA 0.777 5.128 4.350 0.002 0.000 0.299 750 T C -1.659 173.272 174.700 0.385 0.000 1.181 750 T CA -0.393 61.876 62.100 0.281 0.000 1.053 750 T CB 0.976 69.863 68.868 0.032 0.000 1.566 750 T HN 0.749 nan 8.240 nan 0.000 0.486 751 F N 0.137 120.144 119.950 0.096 0.000 2.643 751 F HA 0.764 5.293 4.527 0.002 0.000 0.314 751 F C -0.783 175.046 175.800 0.049 0.000 1.096 751 F CA -1.447 56.619 58.000 0.110 0.000 0.953 751 F CB 1.751 40.814 39.000 0.104 0.000 1.345 751 F HN 0.618 nan 8.300 nan 0.000 0.468 752 M N 2.905 122.541 119.600 0.059 0.000 2.084 752 M HA 0.252 4.733 4.480 0.002 0.000 0.351 752 M C -0.627 175.670 176.300 -0.005 0.000 1.240 752 M CA -0.205 55.048 55.300 -0.077 0.000 1.083 752 M CB 0.589 33.214 32.600 0.042 0.000 1.593 752 M HN 0.756 nan 8.290 nan 0.000 0.463 753 D N 4.058 124.318 120.400 -0.232 0.000 2.934 753 D HA 0.194 4.835 4.640 0.002 0.000 0.237 753 D C -1.072 175.258 176.300 0.050 0.000 1.158 753 D CA 0.255 54.257 54.000 0.003 0.000 0.971 753 D CB 0.028 40.753 40.800 -0.126 0.000 1.123 753 D HN 0.659 nan 8.370 nan 0.000 0.467 754 S N -0.813 114.935 115.700 0.080 0.000 2.587 754 S HA 0.453 4.924 4.470 0.002 0.000 0.269 754 S C 0.309 174.950 174.600 0.070 0.000 1.154 754 S CA -0.946 57.288 58.200 0.055 0.000 0.824 754 S CB 1.904 65.115 63.200 0.017 0.000 1.118 754 S HN 0.150 nan 8.310 nan 0.000 0.462 755 K N -0.549 119.882 120.400 0.052 0.000 1.721 755 K HA -0.237 4.084 4.320 0.002 0.000 0.121 755 K C 0.807 177.443 176.600 0.060 0.000 1.152 755 K CA 1.823 58.140 56.287 0.051 0.000 0.360 755 K CB -1.167 31.362 32.500 0.048 0.000 0.626 755 K HN 0.625 nan 8.250 nan 0.000 0.878 756 M N 1.577 121.214 119.600 0.061 0.000 2.618 756 M HA 0.048 4.529 4.480 0.002 0.000 0.240 756 M C -0.171 176.185 176.300 0.093 0.000 1.123 756 M CA 1.101 56.437 55.300 0.059 0.000 1.060 756 M CB -0.905 31.717 32.600 0.037 0.000 1.535 756 M HN 0.402 nan 8.290 nan 0.000 0.507 757 K N 0.153 120.633 120.400 0.133 0.000 3.244 757 K HA -0.133 4.188 4.320 0.002 0.000 0.270 757 K C -2.446 174.300 176.600 0.242 0.000 1.016 757 K CA -0.076 56.344 56.287 0.220 0.000 0.754 757 K CB -1.630 30.981 32.500 0.186 0.000 1.326 757 K HN 0.295 nan 8.250 nan 0.000 0.465 758 P HA 0.017 nan 4.420 nan 0.000 0.272 758 P C 0.100 177.597 177.300 0.329 0.000 1.223 758 P CA 0.085 63.322 63.100 0.230 0.000 0.784 758 P CB 0.669 32.471 31.700 0.171 0.000 0.923 759 L N 1.714 123.156 121.223 0.365 0.000 2.334 759 L HA 0.399 4.740 4.340 0.002 0.000 0.277 759 L C 0.407 177.514 176.870 0.395 0.000 1.075 759 L CA -0.505 54.567 54.840 0.388 0.000 0.804 759 L CB 1.120 43.386 42.059 0.344 0.000 1.174 759 L HN 0.465 nan 8.230 nan 0.000 0.438 760 W N 5.474 126.874 121.300 0.167 0.000 2.318 760 W HA 0.430 5.092 4.660 0.002 0.000 0.315 760 W C -1.626 174.947 176.519 0.091 0.000 1.033 760 W CA -0.617 56.796 57.345 0.115 0.000 1.275 760 W CB 1.379 30.888 29.460 0.081 0.000 1.250 760 W HN 0.254 nan 8.180 nan 0.000 0.421 761 I N 7.869 128.427 120.570 -0.019 0.000 2.382 761 I HA 0.273 4.444 4.170 0.002 0.000 0.286 761 I C 0.113 176.124 176.117 -0.177 0.000 1.002 761 I CA -0.966 60.304 61.300 -0.050 0.000 1.135 761 I CB 1.350 39.349 38.000 -0.001 0.000 1.288 761 I HN 0.268 nan 8.210 nan 0.000 0.448 762 M N 6.023 125.511 119.600 -0.187 0.000 2.478 762 M HA 0.473 4.954 4.480 0.002 0.000 0.327 762 M C -0.881 175.191 176.300 -0.381 0.000 1.187 762 M CA -0.549 54.656 55.300 -0.158 0.000 1.022 762 M CB 1.581 34.177 32.600 -0.007 0.000 1.629 762 M HN 0.300 nan 8.290 nan 0.000 0.461 763 Y N -0.484 119.788 120.300 -0.047 0.000 2.576 763 Y HA 0.599 5.149 4.550 0.000 0.000 0.346 763 Y C 0.219 176.101 175.900 -0.031 0.000 1.018 763 Y CA -0.569 57.502 58.100 -0.048 0.000 1.050 763 Y CB 2.215 40.639 38.460 -0.061 0.000 1.280 763 Y HN 0.728 nan 8.280 nan 0.000 0.474 764 S N 0.159 115.942 115.700 0.138 0.000 2.595 764 S HA 0.804 5.275 4.470 0.002 0.000 0.281 764 S C -1.130 173.517 174.600 0.079 0.000 1.117 764 S CA -0.785 57.465 58.200 0.084 0.000 0.873 764 S CB 1.874 65.101 63.200 0.045 0.000 1.108 764 S HN 0.675 nan 8.310 nan 0.000 0.477 765 S N 0.448 116.179 115.700 0.051 0.000 2.750 765 S HA 0.340 4.811 4.470 0.002 0.000 0.276 765 S C 0.383 174.996 174.600 0.023 0.000 1.165 765 S CA -0.557 57.668 58.200 0.041 0.000 1.047 765 S CB 1.038 64.252 63.200 0.023 0.000 1.056 765 S HN 0.773 nan 8.310 nan 0.000 0.481 766 E N 2.404 122.620 120.200 0.027 0.000 2.086 766 E HA -0.245 4.106 4.350 0.002 0.000 0.200 766 E C 1.500 178.100 176.600 0.001 0.000 1.012 766 E CA 1.914 58.322 56.400 0.014 0.000 0.812 766 E CB -0.037 29.676 29.700 0.021 0.000 0.743 766 E HN 0.735 nan 8.360 nan 0.000 0.453 767 E N 0.322 120.524 120.200 0.004 0.000 2.106 767 E HA -0.085 4.266 4.350 0.002 0.000 0.192 767 E C 1.648 178.233 176.600 -0.024 0.000 0.984 767 E CA 1.308 57.705 56.400 -0.006 0.000 0.806 767 E CB -0.164 29.535 29.700 -0.001 0.000 0.750 767 E HN 0.258 nan 8.360 nan 0.000 0.458 768 A N -0.354 122.449 122.820 -0.029 0.000 2.169 768 A HA 0.409 4.730 4.320 0.002 0.000 0.212 768 A C 1.519 179.072 177.584 -0.052 0.000 1.153 768 A CA 1.019 53.029 52.037 -0.044 0.000 0.756 768 A CB -0.819 18.156 19.000 -0.042 0.000 0.813 768 A HN 0.423 nan 8.150 nan 0.000 0.471 769 G N -0.362 108.407 108.800 -0.052 0.000 2.582 769 G HA2 -0.366 3.595 3.960 0.002 0.000 0.288 769 G HA3 -0.366 3.595 3.960 0.002 0.000 0.288 769 G C 1.209 176.090 174.900 -0.030 0.000 1.247 769 G CA 0.621 45.681 45.100 -0.068 0.000 0.972 769 G HN 0.684 nan 8.290 nan 0.000 0.557 770 S N 0.336 116.017 115.700 -0.032 0.000 2.372 770 S HA -0.105 4.366 4.470 0.002 0.000 0.227 770 S C 2.806 177.431 174.600 0.042 0.000 1.044 770 S CA 2.684 60.895 58.200 0.017 0.000 1.050 770 S CB -0.726 62.486 63.200 0.020 0.000 0.901 770 S HN 1.755 nan 8.310 nan 0.000 0.447 771 A N 0.775 123.617 122.820 0.037 0.000 2.178 771 A HA 0.143 4.464 4.320 0.002 0.000 0.218 771 A C 2.057 179.657 177.584 0.028 0.000 1.157 771 A CA 1.381 53.451 52.037 0.054 0.000 0.689 771 A CB -0.790 18.255 19.000 0.075 0.000 0.787 771 A HN 0.532 nan 8.150 nan 0.000 0.465 772 G N -0.664 108.145 108.800 0.016 0.000 2.777 772 G HA2 -0.011 3.950 3.960 0.002 0.000 0.211 772 G HA3 -0.011 3.950 3.960 0.002 0.000 0.211 772 G C 0.330 175.255 174.900 0.041 0.000 1.149 772 G CA -0.303 44.805 45.100 0.013 0.000 0.785 772 G HN 0.425 nan 8.290 nan 0.000 0.536 773 N N 1.276 120.007 118.700 0.051 0.000 2.448 773 N HA 0.325 5.067 4.740 0.002 0.000 0.250 773 N C -0.277 175.268 175.510 0.058 0.000 1.136 773 N CA 0.140 53.229 53.050 0.065 0.000 0.953 773 N CB 1.396 39.926 38.487 0.073 0.000 1.251 773 N HN 0.208 nan 8.380 nan 0.000 0.502 774 V N -1.300 118.652 119.914 0.063 0.000 3.114 774 V HA 1.007 5.128 4.120 0.002 0.000 0.308 774 V C 0.254 176.368 176.094 0.034 0.000 1.168 774 V CA -1.029 61.289 62.300 0.029 0.000 1.015 774 V CB 1.848 33.677 31.823 0.009 0.000 1.050 774 V HN 0.400 nan 8.190 nan 0.000 0.433 775 G N 1.723 110.477 108.800 -0.077 0.000 2.574 775 G HA2 0.838 4.799 3.960 0.002 0.000 0.299 775 G HA3 0.838 4.799 3.960 0.002 0.000 0.299 775 G C -1.085 173.701 174.900 -0.191 0.000 1.298 775 G CA -0.669 44.318 45.100 -0.189 0.000 0.952 775 G HN 1.657 nan 8.290 nan 0.000 0.477 776 I N -1.564 118.909 120.570 -0.161 0.000 2.730 776 I HA 0.718 4.889 4.170 0.002 0.000 0.298 776 I C -1.185 174.861 176.117 -0.117 0.000 1.089 776 I CA -1.352 59.892 61.300 -0.092 0.000 1.041 776 I CB 2.478 40.501 38.000 0.039 0.000 1.235 776 I HN 0.274 nan 8.210 nan 0.000 0.423 777 I N 4.843 125.380 120.570 -0.054 0.000 2.377 777 I HA 0.384 4.555 4.170 0.002 0.000 0.293 777 I C -1.067 175.140 176.117 0.149 0.000 0.987 777 I CA -0.548 60.783 61.300 0.050 0.000 1.185 777 I CB 1.822 39.852 38.000 0.050 0.000 1.341 777 I HN 0.513 nan 8.210 nan 0.000 0.455 778 F N 7.584 127.573 119.950 0.064 0.000 2.444 778 F HA 0.536 5.065 4.527 0.004 0.000 0.342 778 F C -0.412 175.436 175.800 0.080 0.000 1.121 778 F CA -0.470 57.566 58.000 0.061 0.000 0.997 778 F CB 0.843 39.883 39.000 0.067 0.000 1.130 778 F HN 0.295 nan 8.300 nan 0.000 0.454 779 K N 4.976 125.041 120.400 -0.558 0.000 2.397 779 K HA 0.391 4.712 4.320 0.002 0.000 0.253 779 K C -1.797 174.461 176.600 -0.570 0.000 0.932 779 K CA -0.836 55.233 56.287 -0.363 0.000 0.795 779 K CB 1.340 33.762 32.500 -0.130 0.000 1.159 779 K HN 0.729 nan 8.250 nan 0.000 0.424 780 N N 2.258 120.757 118.700 -0.335 0.000 2.399 780 N HA 0.512 5.253 4.740 0.002 0.000 0.284 780 N C -0.046 175.421 175.510 -0.071 0.000 1.025 780 N CA 0.431 53.352 53.050 -0.215 0.000 0.885 780 N CB 1.892 40.338 38.487 -0.069 0.000 1.339 780 N HN 0.711 nan 8.380 nan 0.000 0.487 781 G N 2.078 110.838 108.800 -0.067 0.000 2.624 781 G HA2 -0.139 3.822 3.960 0.002 0.000 0.190 781 G HA3 -0.139 3.822 3.960 0.002 0.000 0.190 781 G C -0.763 174.120 174.900 -0.029 0.000 1.008 781 G CA -0.436 44.647 45.100 -0.029 0.000 0.731 781 G HN 0.581 nan 8.290 nan 0.000 0.478 782 D N 0.855 121.230 120.400 -0.042 0.000 2.228 782 D HA 0.508 5.149 4.640 0.002 0.000 0.247 782 D C -1.052 175.226 176.300 -0.037 0.000 0.995 782 D CA -0.328 53.654 54.000 -0.029 0.000 0.903 782 D CB 1.777 42.566 40.800 -0.018 0.000 1.205 782 D HN 0.056 nan 8.370 nan 0.000 0.459 783 D N 1.414 121.797 120.400 -0.028 0.000 2.336 783 D HA 0.077 4.718 4.640 0.002 0.000 0.249 783 D C 0.693 176.978 176.300 -0.026 0.000 1.213 783 D CA -0.055 53.931 54.000 -0.024 0.000 0.870 783 D CB 0.588 41.372 40.800 -0.027 0.000 1.076 783 D HN 0.259 nan 8.370 nan 0.000 0.483 784 L N 3.709 124.922 121.223 -0.017 0.000 2.591 784 L HA 0.147 4.488 4.340 0.002 0.000 0.228 784 L C 2.276 179.143 176.870 -0.005 0.000 1.133 784 L CA -0.060 54.779 54.840 -0.002 0.000 0.880 784 L CB 0.054 42.114 42.059 0.003 0.000 1.033 784 L HN 0.310 nan 8.230 nan 0.000 0.450 785 R N 0.043 120.530 120.500 -0.022 0.000 2.081 785 R HA -0.237 4.105 4.340 0.002 0.000 0.235 785 R C 2.177 178.416 176.300 -0.103 0.000 1.131 785 R CA 1.651 57.725 56.100 -0.042 0.000 0.960 785 R CB -0.175 30.100 30.300 -0.043 0.000 0.856 785 R HN 0.348 nan 8.270 nan 0.000 0.436 786 Q N 0.716 120.427 119.800 -0.148 0.000 2.079 786 Q HA -0.181 4.160 4.340 0.002 0.000 0.200 786 Q C 1.448 177.325 176.000 -0.205 0.000 0.974 786 Q CA 1.737 57.372 55.803 -0.281 0.000 0.840 786 Q CB 0.000 28.544 28.738 -0.323 0.000 0.898 786 Q HN 0.133 nan 8.270 nan 0.000 0.430 787 D N -0.031 120.344 120.400 -0.042 0.000 2.104 787 D HA -0.208 4.433 4.640 0.002 0.000 0.194 787 D C 1.825 178.146 176.300 0.034 0.000 0.994 787 D CA 1.462 55.526 54.000 0.108 0.000 0.830 787 D CB -0.189 40.706 40.800 0.158 0.000 0.959 787 D HN 0.363 nan 8.370 nan 0.000 0.452 788 M N -0.275 119.324 119.600 -0.002 0.000 2.086 788 M HA -0.184 4.297 4.480 0.002 0.000 0.261 788 M C 2.080 178.333 176.300 -0.078 0.000 1.067 788 M CA 1.215 56.505 55.300 -0.017 0.000 1.116 788 M CB -0.085 32.524 32.600 0.015 0.000 1.348 788 M HN 0.110 nan 8.290 nan 0.000 0.407 789 L N 0.259 121.413 121.223 -0.115 0.000 2.017 789 L HA -0.132 4.209 4.340 0.002 0.000 0.208 789 L C 2.102 178.908 176.870 -0.107 0.000 1.073 789 L CA 2.218 56.978 54.840 -0.134 0.000 0.745 789 L CB -1.128 40.842 42.059 -0.148 0.000 0.894 789 L HN 0.306 nan 8.230 nan 0.000 0.432 790 T N 0.171 114.629 114.554 -0.159 0.000 2.652 790 T HA -0.221 4.130 4.350 0.002 0.000 0.267 790 T C 1.965 176.509 174.700 -0.261 0.000 1.039 790 T CA 2.126 64.083 62.100 -0.238 0.000 1.153 790 T CB -0.481 68.011 68.868 -0.627 0.000 0.863 790 T HN 0.324 nan 8.240 nan 0.000 0.428 791 L N 0.703 121.795 121.223 -0.219 0.000 2.079 791 L HA -0.164 4.177 4.340 0.002 0.000 0.210 791 L C 2.939 179.731 176.870 -0.130 0.000 1.081 791 L CA 1.399 56.151 54.840 -0.146 0.000 0.752 791 L CB -0.550 41.422 42.059 -0.145 0.000 0.896 791 L HN 0.331 nan 8.230 nan 0.000 0.433 792 Q N -1.070 118.652 119.800 -0.129 0.000 2.119 792 Q HA -0.152 4.189 4.340 0.002 0.000 0.201 792 Q C 2.331 178.266 176.000 -0.109 0.000 0.972 792 Q CA 1.079 56.795 55.803 -0.144 0.000 0.847 792 Q CB 0.004 28.638 28.738 -0.173 0.000 0.903 792 Q HN 0.462 nan 8.270 nan 0.000 0.433 793 M N 0.018 119.585 119.600 -0.054 0.000 2.175 793 M HA -0.098 4.383 4.480 0.002 0.000 0.264 793 M C 2.118 178.431 176.300 0.023 0.000 1.063 793 M CA 1.267 56.606 55.300 0.065 0.000 1.119 793 M CB -0.588 32.130 32.600 0.197 0.000 1.377 793 M HN 0.241 nan 8.290 nan 0.000 0.415 794 I N -0.131 120.404 120.570 -0.058 0.000 2.252 794 I HA -0.314 3.857 4.170 0.002 0.000 0.245 794 I C 2.600 178.628 176.117 -0.149 0.000 1.102 794 I CA 1.205 62.439 61.300 -0.109 0.000 1.385 794 I CB -0.423 37.548 38.000 -0.048 0.000 1.064 794 I HN 0.368 nan 8.210 nan 0.000 0.414 795 Q N 1.098 120.831 119.800 -0.113 0.000 2.124 795 Q HA -0.247 4.094 4.340 0.002 0.000 0.202 795 Q C 2.213 178.118 176.000 -0.158 0.000 0.977 795 Q CA 1.643 57.376 55.803 -0.116 0.000 0.850 795 Q CB -0.132 28.541 28.738 -0.108 0.000 0.901 795 Q HN 0.422 nan 8.270 nan 0.000 0.429 796 L N 0.060 121.187 121.223 -0.160 0.000 2.046 796 L HA -0.114 4.227 4.340 0.002 0.000 0.208 796 L C 2.069 178.779 176.870 -0.267 0.000 1.077 796 L CA 1.820 56.544 54.840 -0.193 0.000 0.747 796 L CB -0.415 41.537 42.059 -0.179 0.000 0.896 796 L HN 0.370 nan 8.230 nan 0.000 0.432 797 M N -0.719 118.697 119.600 -0.307 0.000 2.108 797 M HA -0.241 4.240 4.480 0.002 0.000 0.261 797 M C 2.009 177.660 176.300 -1.082 0.000 1.066 797 M CA 2.178 56.996 55.300 -0.803 0.000 1.107 797 M CB -0.717 31.233 32.600 -1.084 0.000 1.356 797 M HN 0.320 nan 8.290 nan 0.000 0.406 798 D N 0.187 120.239 120.400 -0.580 0.000 2.123 798 D HA -0.130 4.511 4.640 0.002 0.000 0.196 798 D C 1.779 178.029 176.300 -0.083 0.000 0.992 798 D CA 1.213 55.123 54.000 -0.150 0.000 0.833 798 D CB 0.090 40.871 40.800 -0.032 0.000 0.954 798 D HN 0.087 nan 8.370 nan 0.000 0.455 799 V N 0.399 120.219 119.914 -0.157 0.000 2.295 799 V HA -0.222 3.899 4.120 0.002 0.000 0.246 799 V C 2.637 178.650 176.094 -0.134 0.000 1.049 799 V CA 1.383 63.608 62.300 -0.123 0.000 1.024 799 V CB -0.507 31.225 31.823 -0.152 0.000 0.648 799 V HN 0.306 nan 8.190 nan 0.000 0.447 800 L N -1.656 119.417 121.223 -0.249 0.000 2.083 800 L HA -0.166 4.176 4.340 0.002 0.000 0.209 800 L C 2.567 179.432 176.870 -0.008 0.000 1.083 800 L CA 1.489 56.176 54.840 -0.255 0.000 0.752 800 L CB -0.598 41.204 42.059 -0.429 0.000 0.899 800 L HN 0.403 nan 8.230 nan 0.000 0.433 801 W N 0.954 122.242 121.300 -0.020 0.000 2.379 801 W HA -0.117 4.544 4.660 0.002 0.000 0.307 801 W C 2.539 179.051 176.519 -0.012 0.000 1.200 801 W CA 0.770 58.111 57.345 -0.006 0.000 1.297 801 W CB -0.800 28.651 29.460 -0.014 0.000 1.140 801 W HN 0.111 nan 8.180 nan 0.000 0.507 802 K N 0.241 120.762 120.400 0.202 0.000 2.147 802 K HA -0.179 4.143 4.320 0.002 0.000 0.205 802 K C 1.931 178.568 176.600 0.062 0.000 1.049 802 K CA 1.359 57.710 56.287 0.106 0.000 0.936 802 K CB -0.394 32.145 32.500 0.066 0.000 0.722 802 K HN 0.218 nan 8.250 nan 0.000 0.446 803 Q N 0.498 120.325 119.800 0.044 0.000 2.291 803 Q HA -0.139 4.202 4.340 0.002 0.000 0.206 803 Q C 0.689 176.726 176.000 0.061 0.000 0.976 803 Q CA 0.949 56.770 55.803 0.031 0.000 0.875 803 Q CB 0.183 28.926 28.738 0.008 0.000 0.927 803 Q HN 0.328 nan 8.270 nan 0.000 0.450 804 E N -0.798 119.459 120.200 0.096 0.000 2.451 804 E HA 0.144 4.495 4.350 0.002 0.000 0.194 804 E C 0.601 177.245 176.600 0.073 0.000 1.027 804 E CA 0.368 56.824 56.400 0.093 0.000 0.914 804 E CB 0.954 30.729 29.700 0.125 0.000 1.054 804 E HN 0.401 nan 8.360 nan 0.000 0.461 805 G N 1.990 110.829 108.800 0.064 0.000 2.147 805 G HA2 -0.274 3.687 3.960 0.002 0.000 0.244 805 G HA3 -0.274 3.687 3.960 0.002 0.000 0.244 805 G C -0.194 174.731 174.900 0.043 0.000 1.005 805 G CA 0.339 45.468 45.100 0.049 0.000 0.713 805 G HN 0.259 nan 8.290 nan 0.000 0.515 806 L N 0.991 122.249 121.223 0.059 0.000 2.294 806 L HA 0.734 5.075 4.340 0.002 0.000 0.283 806 L C -0.779 176.109 176.870 0.031 0.000 1.015 806 L CA -1.231 53.613 54.840 0.007 0.000 0.831 806 L CB 1.680 43.715 42.059 -0.040 0.000 1.217 806 L HN 0.100 nan 8.230 nan 0.000 0.420 807 D N 4.731 125.119 120.400 -0.020 0.000 2.454 807 D HA 0.229 4.870 4.640 0.002 0.000 0.225 807 D C 0.420 176.668 176.300 -0.087 0.000 1.081 807 D CA -0.128 53.871 54.000 -0.002 0.000 0.864 807 D CB 0.852 41.660 40.800 0.013 0.000 1.040 807 D HN 0.614 nan 8.370 nan 0.000 0.517 808 L N 3.602 124.787 121.223 -0.063 0.000 2.627 808 L HA 0.175 4.516 4.340 0.002 0.000 0.232 808 L C 0.527 177.380 176.870 -0.028 0.000 1.150 808 L CA -0.273 54.487 54.840 -0.134 0.000 0.917 808 L CB -0.184 41.722 42.059 -0.255 0.000 1.104 808 L HN 0.276 nan 8.230 nan 0.000 0.445 809 R N -0.604 119.891 120.500 -0.008 0.000 3.336 809 R HA -0.151 4.191 4.340 0.002 0.000 0.260 809 R C -0.003 176.373 176.300 0.126 0.000 1.032 809 R CA 0.656 56.762 56.100 0.011 0.000 0.693 809 R CB -2.034 28.253 30.300 -0.022 0.000 1.134 809 R HN 0.291 nan 8.270 nan 0.000 0.433 810 M N -0.254 119.439 119.600 0.155 0.000 2.103 810 M HA 0.158 4.639 4.480 0.002 0.000 0.291 810 M C 0.939 177.397 176.300 0.263 0.000 1.216 810 M CA 0.546 55.999 55.300 0.256 0.000 1.132 810 M CB 0.255 32.947 32.600 0.152 0.000 1.396 810 M HN 0.007 nan 8.290 nan 0.000 0.479 811 T N 2.636 117.415 114.554 0.375 0.000 3.241 811 T HA 0.342 4.693 4.350 0.002 0.000 0.387 811 T C -2.320 172.508 174.700 0.214 0.000 1.451 811 T CA -0.925 61.297 62.100 0.204 0.000 1.363 811 T CB 0.270 69.125 68.868 -0.021 0.000 1.074 811 T HN 0.357 nan 8.240 nan 0.000 0.598 812 P HA 0.153 nan 4.420 nan 0.000 0.230 812 P C -0.376 176.930 177.300 0.010 0.000 1.791 812 P CA -0.509 62.611 63.100 0.034 0.000 1.020 812 P CB -0.958 30.757 31.700 0.024 0.000 1.977 813 Y N -0.453 119.873 120.300 0.044 0.000 2.326 813 Y HA 0.576 5.127 4.550 0.001 0.000 0.333 813 Y C 0.870 176.808 175.900 0.062 0.000 1.240 813 Y CA -1.264 56.848 58.100 0.019 0.000 1.365 813 Y CB 0.050 38.487 38.460 -0.039 0.000 1.289 813 Y HN 0.191 nan 8.280 nan 0.000 0.548 814 G N 0.557 109.485 108.800 0.212 0.000 2.483 814 G HA2 0.352 4.313 3.960 0.002 0.000 0.248 814 G HA3 0.352 4.313 3.960 0.002 0.000 0.248 814 G C -1.354 173.661 174.900 0.192 0.000 1.248 814 G CA -0.400 44.787 45.100 0.146 0.000 0.838 814 G HN 1.067 nan 8.290 nan 0.000 0.566 815 C N 3.447 122.819 119.300 0.119 0.000 2.516 815 C HA 0.703 5.164 4.460 0.002 0.000 0.338 815 C C -0.976 174.075 174.990 0.102 0.000 1.132 815 C CA -0.896 58.199 59.018 0.129 0.000 1.310 815 C CB 0.276 28.092 27.740 0.127 0.000 1.898 815 C HN 0.777 nan 8.230 nan 0.000 0.452 816 L N 8.750 130.023 121.223 0.083 0.000 2.457 816 L HA 0.623 4.964 4.340 0.002 0.000 0.266 816 L C -2.535 174.350 176.870 0.025 0.000 0.979 816 L CA -1.252 53.632 54.840 0.073 0.000 0.857 816 L CB 1.961 44.050 42.059 0.050 0.000 1.213 816 L HN 0.481 nan 8.230 nan 0.000 0.418 817 P HA 0.286 nan 4.420 nan 0.000 0.268 817 P C 0.064 177.409 177.300 0.074 0.000 1.204 817 P CA -0.058 63.076 63.100 0.057 0.000 0.768 817 P CB 0.841 32.601 31.700 0.100 0.000 0.842 818 T N -0.500 114.081 114.554 0.045 0.000 2.958 818 T HA 0.491 4.842 4.350 0.002 0.000 0.256 818 T C 0.703 175.537 174.700 0.223 0.000 0.983 818 T CA 0.307 62.472 62.100 0.109 0.000 0.924 818 T CB 0.083 68.882 68.868 -0.115 0.000 1.136 818 T HN 0.489 nan 8.240 nan 0.000 0.506 819 G N 0.531 109.400 108.800 0.115 0.000 2.570 819 G HA2 0.431 4.393 3.960 0.002 0.000 0.310 819 G HA3 0.431 4.393 3.960 0.002 0.000 0.310 819 G C -2.054 172.765 174.900 -0.136 0.000 1.266 819 G CA -0.556 44.584 45.100 0.066 0.000 0.825 819 G HN 0.060 nan 8.290 nan 0.000 0.483 820 D N 0.774 120.955 120.400 -0.366 0.000 2.346 820 D HA 0.219 4.860 4.640 0.002 0.000 0.260 820 D C 0.997 177.114 176.300 -0.304 0.000 1.252 820 D CA -0.016 53.534 54.000 -0.751 0.000 0.895 820 D CB 0.040 40.435 40.800 -0.675 0.000 1.097 820 D HN 0.497 nan 8.370 nan 0.000 0.489 821 R N 2.118 122.491 120.500 -0.212 0.000 3.387 821 R HA -0.166 4.175 4.340 0.002 0.000 0.254 821 R C -0.405 175.816 176.300 -0.131 0.000 1.006 821 R CA 0.834 56.867 56.100 -0.112 0.000 0.677 821 R CB -2.105 28.147 30.300 -0.079 0.000 1.063 821 R HN 0.402 nan 8.270 nan 0.000 0.453 822 T N -1.049 113.421 114.554 -0.140 0.000 2.912 822 T HA 0.747 5.098 4.350 0.002 0.000 0.299 822 T C 0.227 174.821 174.700 -0.176 0.000 1.052 822 T CA -0.092 61.882 62.100 -0.210 0.000 0.996 822 T CB 2.406 71.204 68.868 -0.117 0.000 1.070 822 T HN 0.450 nan 8.240 nan 0.000 0.465 823 G N 1.063 109.691 108.800 -0.287 0.000 2.428 823 G HA2 0.603 4.564 3.960 0.002 0.000 0.304 823 G HA3 0.603 4.564 3.960 0.002 0.000 0.304 823 G C -2.312 172.488 174.900 -0.168 0.000 1.303 823 G CA -0.783 44.219 45.100 -0.165 0.000 0.825 823 G HN 0.709 nan 8.290 nan 0.000 0.484 824 L N -0.348 120.838 121.223 -0.061 0.000 2.333 824 L HA 0.743 5.084 4.340 0.002 0.000 0.269 824 L C -0.937 175.955 176.870 0.037 0.000 1.010 824 L CA -0.945 53.898 54.840 0.004 0.000 0.818 824 L CB 2.152 44.216 42.059 0.008 0.000 1.306 824 L HN 0.384 nan 8.230 nan 0.000 0.430 825 I N 0.735 121.341 120.570 0.060 0.000 2.582 825 I HA 0.237 4.408 4.170 0.002 0.000 0.292 825 I C -0.088 176.070 176.117 0.067 0.000 1.066 825 I CA -0.363 61.006 61.300 0.115 0.000 1.053 825 I CB 2.041 40.124 38.000 0.139 0.000 1.241 825 I HN 0.521 nan 8.210 nan 0.000 0.421 826 E N 4.814 125.089 120.200 0.126 0.000 2.344 826 E HA 0.243 4.594 4.350 0.002 0.000 0.270 826 E C -0.975 175.576 176.600 -0.082 0.000 1.021 826 E CA -0.418 56.010 56.400 0.046 0.000 0.887 826 E CB 0.968 30.743 29.700 0.126 0.000 0.997 826 E HN 0.416 nan 8.360 nan 0.000 0.429 827 V N 5.329 125.125 119.914 -0.196 0.000 2.521 827 V HA 0.006 4.128 4.120 0.002 0.000 0.286 827 V C 0.058 176.041 176.094 -0.184 0.000 1.034 827 V CA -0.304 61.805 62.300 -0.319 0.000 1.045 827 V CB 1.278 32.718 31.823 -0.638 0.000 0.974 827 V HN 0.479 nan 8.190 nan 0.000 0.480 828 V N 7.745 127.564 119.914 -0.159 0.000 2.353 828 V HA 0.272 4.393 4.120 0.002 0.000 0.264 828 V C 0.359 176.490 176.094 0.061 0.000 1.049 828 V CA -0.179 62.061 62.300 -0.100 0.000 0.896 828 V CB 0.648 32.275 31.823 -0.326 0.000 1.025 828 V HN 0.599 nan 8.190 nan 0.000 0.475 829 L N 4.375 125.622 121.223 0.040 0.000 2.475 829 L HA 0.406 4.747 4.340 0.002 0.000 0.253 829 L C 0.954 177.874 176.870 0.084 0.000 1.198 829 L CA -0.564 54.268 54.840 -0.012 0.000 0.814 829 L CB -0.015 41.908 42.059 -0.225 0.000 1.134 829 L HN 0.794 nan 8.230 nan 0.000 0.478 830 H N -1.541 117.659 119.070 0.217 0.000 2.692 830 H HA -0.141 4.416 4.556 0.002 0.000 0.316 830 H C -0.392 175.111 175.328 0.292 0.000 1.176 830 H CA 0.492 56.671 56.048 0.218 0.000 1.142 830 H CB -1.547 28.314 29.762 0.165 0.000 1.475 830 H HN 0.566 nan 8.280 nan 0.000 0.423 831 S N -1.222 114.688 115.700 0.349 0.000 2.595 831 S HA 0.724 5.195 4.470 0.002 0.000 0.281 831 S C -0.958 173.767 174.600 0.208 0.000 1.117 831 S CA -1.025 57.384 58.200 0.348 0.000 0.873 831 S CB 3.950 67.419 63.200 0.450 0.000 1.108 831 S HN 0.222 nan 8.310 nan 0.000 0.477 832 D N 0.411 120.833 120.400 0.037 0.000 2.570 832 D HA 0.554 5.195 4.640 0.002 0.000 0.244 832 D C -0.692 175.466 176.300 -0.237 0.000 1.178 832 D CA -0.163 53.779 54.000 -0.096 0.000 0.881 832 D CB 2.350 43.072 40.800 -0.130 0.000 1.453 832 D HN 0.802 nan 8.370 nan 0.000 0.447 833 T N 0.245 114.673 114.554 -0.210 0.000 2.913 833 T HA 0.190 4.541 4.350 0.002 0.000 0.297 833 T C 1.964 176.516 174.700 -0.246 0.000 1.029 833 T CA -0.694 61.270 62.100 -0.227 0.000 1.104 833 T CB 0.556 69.330 68.868 -0.155 0.000 0.964 833 T HN 0.274 nan 8.240 nan 0.000 0.532 834 I N 1.905 122.353 120.570 -0.203 0.000 2.151 834 I HA -0.211 3.960 4.170 0.002 0.000 0.243 834 I C 2.915 178.973 176.117 -0.098 0.000 1.080 834 I CA 1.844 63.073 61.300 -0.119 0.000 1.339 834 I CB -2.192 35.835 38.000 0.044 0.000 1.039 834 I HN 0.916 nan 8.210 nan 0.000 0.409 835 A N 0.844 123.616 122.820 -0.081 0.000 1.892 835 A HA -0.302 4.019 4.320 0.002 0.000 0.218 835 A C 2.214 179.748 177.584 -0.083 0.000 1.188 835 A CA 2.452 54.448 52.037 -0.068 0.000 0.631 835 A CB -1.071 17.890 19.000 -0.065 0.000 0.822 835 A HN 0.496 nan 8.150 nan 0.000 0.447 836 N N -0.083 118.553 118.700 -0.107 0.000 2.120 836 N HA -0.093 4.648 4.740 0.002 0.000 0.188 836 N C 1.473 176.922 175.510 -0.102 0.000 1.024 836 N CA 1.792 54.783 53.050 -0.099 0.000 0.852 836 N CB -0.394 38.029 38.487 -0.106 0.000 1.003 836 N HN 0.532 nan 8.380 nan 0.000 0.424 837 I N 0.356 120.820 120.570 -0.177 0.000 2.226 837 I HA -0.257 3.914 4.170 0.002 0.000 0.245 837 I C 1.913 177.985 176.117 -0.075 0.000 1.100 837 I CA 1.105 62.291 61.300 -0.191 0.000 1.374 837 I CB -0.294 37.450 38.000 -0.426 0.000 1.057 837 I HN 0.268 nan 8.210 nan 0.000 0.413 838 Q N 0.414 120.176 119.800 -0.063 0.000 2.488 838 Q HA -0.062 4.279 4.340 0.002 0.000 0.211 838 Q C 2.192 178.183 176.000 -0.016 0.000 0.967 838 Q CA 0.661 56.451 55.803 -0.022 0.000 0.926 838 Q CB -0.006 28.725 28.738 -0.012 0.000 0.992 838 Q HN 0.579 nan 8.270 nan 0.000 0.506 839 L N 0.503 121.711 121.223 -0.025 0.000 2.261 839 L HA -0.149 4.192 4.340 0.002 0.000 0.216 839 L C 0.592 177.458 176.870 -0.007 0.000 1.114 839 L CA 0.310 55.138 54.840 -0.019 0.000 0.777 839 L CB -0.547 41.497 42.059 -0.025 0.000 0.910 839 L HN 0.379 nan 8.230 nan 0.000 0.440 840 N N 1.211 119.914 118.700 0.005 0.000 2.696 840 N HA -0.196 4.545 4.740 0.002 0.000 0.256 840 N C -0.206 175.310 175.510 0.010 0.000 1.031 840 N CA 0.622 53.682 53.050 0.016 0.000 0.730 840 N CB -0.773 37.719 38.487 0.008 0.000 0.894 840 N HN 0.310 nan 8.380 nan 0.000 0.544 841 K N 0.217 120.627 120.400 0.017 0.000 2.258 841 K HA 0.244 4.565 4.320 0.002 0.000 0.264 841 K C 0.854 177.461 176.600 0.012 0.000 1.007 841 K CA 0.006 56.299 56.287 0.010 0.000 0.941 841 K CB 0.498 33.005 32.500 0.012 0.000 0.966 841 K HN 0.502 nan 8.250 nan 0.000 0.480 842 S N 1.116 116.817 115.700 0.002 0.000 2.624 842 S HA 0.069 4.540 4.470 0.002 0.000 0.263 842 S C 0.567 175.170 174.600 0.005 0.000 1.287 842 S CA -0.264 57.936 58.200 -0.000 0.000 0.990 842 S CB 0.598 63.794 63.200 -0.008 0.000 0.950 842 S HN 0.884 nan 8.310 nan 0.000 0.561 843 N N -1.294 117.408 118.700 0.003 0.000 2.800 843 N HA -0.137 4.604 4.740 0.002 0.000 0.250 843 N C -0.723 174.792 175.510 0.009 0.000 1.078 843 N CA 1.340 54.392 53.050 0.003 0.000 0.804 843 N CB -1.085 37.402 38.487 0.001 0.000 1.135 843 N HN 0.632 nan 8.380 nan 0.000 0.565 844 M N -1.080 118.530 119.600 0.016 0.000 2.716 844 M HA 0.554 5.035 4.480 0.002 0.000 0.307 844 M C 1.401 177.714 176.300 0.022 0.000 1.223 844 M CA -0.155 55.161 55.300 0.026 0.000 0.871 844 M CB 0.927 33.556 32.600 0.049 0.000 1.739 844 M HN -0.028 nan 8.290 nan 0.000 0.475 845 A N 0.832 123.660 122.820 0.014 0.000 2.015 845 A HA 0.142 4.463 4.320 0.002 0.000 0.219 845 A C 1.643 179.238 177.584 0.018 0.000 1.163 845 A CA 1.979 54.016 52.037 -0.000 0.000 0.646 845 A CB -0.496 18.484 19.000 -0.033 0.000 0.806 845 A HN 0.880 nan 8.150 nan 0.000 0.448 846 A N -0.990 121.862 122.820 0.053 0.000 2.308 846 A HA 0.338 4.659 4.320 0.002 0.000 0.217 846 A C 0.901 178.533 177.584 0.079 0.000 1.216 846 A CA 0.252 52.344 52.037 0.092 0.000 0.864 846 A CB -0.629 18.487 19.000 0.194 0.000 0.902 846 A HN 0.240 nan 8.150 nan 0.000 0.499 847 T N 2.156 116.740 114.554 0.051 0.000 2.822 847 T HA 0.376 4.727 4.350 0.002 0.000 0.288 847 T C 0.253 174.968 174.700 0.025 0.000 0.991 847 T CA 0.956 63.075 62.100 0.032 0.000 1.176 847 T CB 0.357 69.234 68.868 0.015 0.000 0.951 847 T HN 0.543 nan 8.240 nan 0.000 0.526 848 A N 2.614 125.445 122.820 0.019 0.000 2.365 848 A HA 0.790 5.111 4.320 0.002 0.000 0.318 848 A C 1.231 178.793 177.584 -0.036 0.000 1.091 848 A CA -0.377 51.672 52.037 0.021 0.000 0.763 848 A CB 1.069 20.105 19.000 0.059 0.000 1.248 848 A HN 0.854 nan 8.150 nan 0.000 0.442 849 A N 1.314 124.102 122.820 -0.053 0.000 1.933 849 A HA 0.261 4.582 4.320 0.002 0.000 0.218 849 A C 0.260 177.502 177.584 -0.570 0.000 1.175 849 A CA 1.272 53.153 52.037 -0.261 0.000 0.628 849 A CB -0.369 18.516 19.000 -0.190 0.000 0.814 849 A HN 0.709 nan 8.150 nan 0.000 0.444 850 F N -2.039 117.895 119.950 -0.027 0.000 2.540 850 F HA 0.366 4.894 4.527 0.002 0.000 0.317 850 F C 0.828 176.594 175.800 -0.055 0.000 1.104 850 F CA -0.770 57.199 58.000 -0.051 0.000 0.913 850 F CB 1.504 40.461 39.000 -0.071 0.000 1.170 850 F HN 0.084 nan 8.300 nan 0.000 0.450 851 N N 2.269 121.021 118.700 0.086 0.000 2.205 851 N HA -0.231 4.511 4.740 0.002 0.000 0.186 851 N C 1.841 177.361 175.510 0.017 0.000 1.015 851 N CA 1.818 54.890 53.050 0.037 0.000 0.862 851 N CB 0.026 38.527 38.487 0.022 0.000 0.986 851 N HN 0.687 nan 8.380 nan 0.000 0.429 852 K N -0.638 119.746 120.400 -0.025 0.000 2.281 852 K HA -0.131 4.190 4.320 0.002 0.000 0.203 852 K C 0.511 176.994 176.600 -0.195 0.000 1.046 852 K CA 1.542 57.724 56.287 -0.176 0.000 0.938 852 K CB 0.070 32.360 32.500 -0.350 0.000 0.737 852 K HN 0.229 nan 8.250 nan 0.000 0.458 853 D N 0.855 121.244 120.400 -0.019 0.000 2.349 853 D HA 0.083 4.724 4.640 0.002 0.000 0.215 853 D C 1.768 178.129 176.300 0.101 0.000 1.016 853 D CA 0.658 54.718 54.000 0.100 0.000 0.870 853 D CB 0.382 41.276 40.800 0.156 0.000 0.917 853 D HN 0.398 nan 8.370 nan 0.000 0.524 854 A N 1.219 124.084 122.820 0.074 0.000 1.892 854 A HA -0.168 4.153 4.320 0.002 0.000 0.218 854 A C 2.207 179.861 177.584 0.118 0.000 1.188 854 A CA 0.890 52.979 52.037 0.086 0.000 0.631 854 A CB -0.710 18.323 19.000 0.055 0.000 0.822 854 A HN 0.248 nan 8.150 nan 0.000 0.447 855 L N -1.320 119.957 121.223 0.090 0.000 2.072 855 L HA -0.114 4.227 4.340 0.002 0.000 0.205 855 L C 2.524 179.465 176.870 0.119 0.000 1.079 855 L CA 1.389 56.280 54.840 0.085 0.000 0.752 855 L CB -0.268 41.822 42.059 0.052 0.000 0.906 855 L HN 0.474 nan 8.230 nan 0.000 0.436 856 L N 0.369 121.637 121.223 0.076 0.000 2.046 856 L HA -0.218 4.123 4.340 0.002 0.000 0.208 856 L C 2.114 179.035 176.870 0.084 0.000 1.077 856 L CA 1.750 56.613 54.840 0.039 0.000 0.747 856 L CB -0.889 41.185 42.059 0.025 0.000 0.896 856 L HN 0.243 nan 8.230 nan 0.000 0.432 857 N N -1.172 117.596 118.700 0.113 0.000 2.104 857 N HA -0.258 4.483 4.740 0.002 0.000 0.190 857 N C 1.482 177.073 175.510 0.135 0.000 1.024 857 N CA 1.627 54.739 53.050 0.104 0.000 0.853 857 N CB -0.671 37.877 38.487 0.103 0.000 1.008 857 N HN 0.602 nan 8.380 nan 0.000 0.424 858 W N 1.477 122.778 121.300 0.001 0.000 2.355 858 W HA -0.019 4.642 4.660 0.001 0.000 0.309 858 W C 1.878 178.399 176.519 0.003 0.000 1.206 858 W CA 1.047 58.396 57.345 0.006 0.000 1.284 858 W CB -0.389 29.079 29.460 0.013 0.000 1.145 858 W HN -0.005 nan 8.180 nan 0.000 0.502 859 L N 0.611 122.016 121.223 0.304 0.000 2.083 859 L HA -0.230 4.111 4.340 0.002 0.000 0.209 859 L C 2.444 179.287 176.870 -0.044 0.000 1.083 859 L CA 1.610 56.522 54.840 0.121 0.000 0.752 859 L CB -0.734 41.409 42.059 0.140 0.000 0.899 859 L HN 0.019 nan 8.230 nan 0.000 0.433 860 K N -0.307 120.080 120.400 -0.022 0.000 2.057 860 K HA -0.161 4.161 4.320 0.002 0.000 0.207 860 K C 2.306 178.852 176.600 -0.089 0.000 1.049 860 K CA 1.691 57.953 56.287 -0.041 0.000 0.931 860 K CB -0.137 32.355 32.500 -0.014 0.000 0.714 860 K HN 0.348 nan 8.250 nan 0.000 0.440 861 S N 1.050 116.670 115.700 -0.133 0.000 2.382 861 S HA -0.088 4.383 4.470 0.002 0.000 0.228 861 S C 1.689 176.144 174.600 -0.241 0.000 1.027 861 S CA 0.922 59.017 58.200 -0.175 0.000 0.991 861 S CB -0.020 63.059 63.200 -0.202 0.000 0.823 861 S HN 0.090 nan 8.310 nan 0.000 0.469 862 K N 1.749 121.935 120.400 -0.358 0.000 2.365 862 K HA 0.239 4.560 4.320 0.002 0.000 0.197 862 K C 0.078 176.565 176.600 -0.188 0.000 1.042 862 K CA 0.268 56.345 56.287 -0.351 0.000 0.987 862 K CB -0.213 31.940 32.500 -0.578 0.000 0.779 862 K HN 0.477 nan 8.250 nan 0.000 0.484 863 N N 1.705 120.324 118.700 -0.135 0.000 2.733 863 N HA 0.177 4.918 4.740 0.002 0.000 0.271 863 N C -2.773 172.707 175.510 -0.050 0.000 1.720 863 N CA -0.917 52.091 53.050 -0.070 0.000 0.803 863 N CB 2.028 40.492 38.487 -0.037 0.000 1.208 863 N HN 0.025 nan 8.380 nan 0.000 0.498 864 P HA 0.175 nan 4.420 nan 0.000 0.274 864 P C 1.011 178.298 177.300 -0.021 0.000 1.237 864 P CA 0.718 63.796 63.100 -0.036 0.000 0.793 864 P CB 0.985 32.662 31.700 -0.038 0.000 0.977 865 G N 2.150 110.941 108.800 -0.015 0.000 2.583 865 G HA2 -0.336 3.625 3.960 0.002 0.000 0.292 865 G HA3 -0.336 3.625 3.960 0.002 0.000 0.292 865 G C 0.893 175.792 174.900 -0.002 0.000 1.203 865 G CA 0.565 45.661 45.100 -0.007 0.000 0.987 865 G HN 0.560 nan 8.290 nan 0.000 0.554 866 E N 1.159 121.360 120.200 0.002 0.000 2.418 866 E HA 0.204 4.555 4.350 0.002 0.000 0.197 866 E C 2.702 179.309 176.600 0.012 0.000 1.026 866 E CA 0.803 57.208 56.400 0.008 0.000 0.862 866 E CB -0.156 29.550 29.700 0.011 0.000 0.799 866 E HN 0.705 nan 8.360 nan 0.000 0.518 867 A N 1.175 124.000 122.820 0.007 0.000 2.066 867 A HA -0.104 4.217 4.320 0.002 0.000 0.218 867 A C 2.078 179.671 177.584 0.016 0.000 1.157 867 A CA 0.493 52.536 52.037 0.011 0.000 0.670 867 A CB -0.264 18.736 19.000 0.000 0.000 0.804 867 A HN 0.203 nan 8.150 nan 0.000 0.453 868 L N 0.317 121.545 121.223 0.009 0.000 2.017 868 L HA -0.170 4.171 4.340 0.002 0.000 0.208 868 L C 1.613 178.498 176.870 0.026 0.000 1.073 868 L CA 2.465 57.311 54.840 0.010 0.000 0.745 868 L CB -0.743 41.316 42.059 -0.001 0.000 0.894 868 L HN 0.329 nan 8.230 nan 0.000 0.432 869 D N -0.608 119.809 120.400 0.029 0.000 2.133 869 D HA -0.248 4.393 4.640 0.002 0.000 0.195 869 D C 2.309 178.646 176.300 0.062 0.000 0.997 869 D CA 1.388 55.413 54.000 0.042 0.000 0.840 869 D CB -0.149 40.675 40.800 0.040 0.000 0.947 869 D HN 0.183 nan 8.370 nan 0.000 0.452 870 R N 0.912 121.448 120.500 0.061 0.000 2.092 870 R HA 0.051 4.392 4.340 0.002 0.000 0.231 870 R C 1.908 178.263 176.300 0.091 0.000 1.119 870 R CA 1.596 57.742 56.100 0.076 0.000 0.970 870 R CB -0.743 29.601 30.300 0.072 0.000 0.864 870 R HN 0.098 nan 8.270 nan 0.000 0.440 871 A N 0.405 123.277 122.820 0.085 0.000 1.898 871 A HA -0.065 4.256 4.320 0.002 0.000 0.216 871 A C 2.295 179.969 177.584 0.149 0.000 1.181 871 A CA 1.524 53.629 52.037 0.114 0.000 0.620 871 A CB -0.569 18.484 19.000 0.088 0.000 0.819 871 A HN 0.355 nan 8.150 nan 0.000 0.442 872 I N -0.615 120.019 120.570 0.107 0.000 2.286 872 I HA -0.249 3.922 4.170 0.002 0.000 0.248 872 I C 2.544 178.778 176.117 0.196 0.000 1.115 872 I CA 1.792 63.161 61.300 0.116 0.000 1.392 872 I CB -0.207 37.822 38.000 0.048 0.000 1.065 872 I HN 0.405 nan 8.210 nan 0.000 0.418 873 E N 1.158 121.454 120.200 0.160 0.000 2.072 873 E HA -0.214 4.137 4.350 0.002 0.000 0.191 873 E C 2.040 178.735 176.600 0.158 0.000 0.985 873 E CA 1.337 57.838 56.400 0.169 0.000 0.801 873 E CB -0.017 29.761 29.700 0.130 0.000 0.750 873 E HN 0.339 nan 8.360 nan 0.000 0.452 874 E N -0.330 119.959 120.200 0.148 0.000 2.077 874 E HA -0.188 4.163 4.350 0.002 0.000 0.193 874 E C 2.018 178.722 176.600 0.172 0.000 0.989 874 E CA 0.915 57.390 56.400 0.125 0.000 0.800 874 E CB -0.455 29.321 29.700 0.126 0.000 0.746 874 E HN 0.360 nan 8.360 nan 0.000 0.452 875 F N 2.212 122.210 119.950 0.080 0.000 2.095 875 F HA -0.223 4.305 4.527 0.002 0.000 0.298 875 F C 2.412 178.261 175.800 0.082 0.000 1.104 875 F CA 1.884 59.921 58.000 0.060 0.000 1.232 875 F CB -0.308 38.712 39.000 0.033 0.000 0.987 875 F HN -0.084 nan 8.300 nan 0.000 0.475 876 T N 1.506 116.252 114.554 0.320 0.000 2.708 876 T HA -0.185 4.166 4.350 0.002 0.000 0.266 876 T C 2.113 177.001 174.700 0.314 0.000 1.037 876 T CA 1.806 64.100 62.100 0.323 0.000 1.146 876 T CB -0.607 68.503 68.868 0.404 0.000 0.865 876 T HN 0.221 nan 8.240 nan 0.000 0.435 877 L N 1.466 122.776 121.223 0.145 0.000 1.994 877 L HA -0.149 4.192 4.340 0.002 0.000 0.208 877 L C 3.006 179.882 176.870 0.010 0.000 1.071 877 L CA 1.688 56.493 54.840 -0.057 0.000 0.745 877 L CB -0.801 41.141 42.059 -0.195 0.000 0.892 877 L HN 0.387 nan 8.230 nan 0.000 0.431 878 S N -1.341 114.388 115.700 0.049 0.000 2.368 878 S HA -0.259 4.212 4.470 0.002 0.000 0.224 878 S C 2.211 176.930 174.600 0.198 0.000 1.029 878 S CA 1.055 59.344 58.200 0.147 0.000 0.988 878 S CB -1.286 62.033 63.200 0.198 0.000 0.838 878 S HN 0.522 nan 8.310 nan 0.000 0.462 879 C N 2.342 121.641 119.300 -0.002 0.000 2.398 879 C HA -0.015 4.446 4.460 0.002 0.000 0.276 879 C C 3.181 178.400 174.990 0.382 0.000 1.222 879 C CA 1.150 60.192 59.018 0.040 0.000 1.746 879 C CB -1.803 25.807 27.740 -0.217 0.000 2.039 879 C HN 0.704 nan 8.230 nan 0.000 0.470 880 A N 0.221 123.327 122.820 0.476 0.000 1.877 880 A HA 0.063 4.384 4.320 0.002 0.000 0.216 880 A C 2.487 180.139 177.584 0.114 0.000 1.186 880 A CA 2.280 54.507 52.037 0.317 0.000 0.620 880 A CB -1.558 17.524 19.000 0.136 0.000 0.822 880 A HN 0.708 nan 8.150 nan 0.000 0.443 881 G N -1.573 107.214 108.800 -0.022 0.000 2.459 881 G HA2 -0.249 3.712 3.960 0.002 0.000 0.217 881 G HA3 -0.249 3.712 3.960 0.002 0.000 0.217 881 G C 1.478 176.411 174.900 0.055 0.000 1.183 881 G CA 1.332 46.346 45.100 -0.144 0.000 0.776 881 G HN 0.557 nan 8.290 nan 0.000 0.552 882 Y N 0.007 120.435 120.300 0.214 0.000 2.314 882 Y HA -0.028 4.522 4.550 0.002 0.000 0.293 882 Y C 3.129 179.096 175.900 0.111 0.000 1.129 882 Y CA 0.542 58.739 58.100 0.161 0.000 1.201 882 Y CB -0.536 38.024 38.460 0.167 0.000 0.999 882 Y HN 0.218 nan 8.280 nan 0.000 0.541 883 C N -1.049 118.414 119.300 0.271 0.000 2.429 883 C HA -0.143 4.318 4.460 0.002 0.000 0.277 883 C C 2.760 177.809 174.990 0.099 0.000 1.262 883 C CA 0.989 60.048 59.018 0.069 0.000 1.733 883 C CB -1.082 26.717 27.740 0.099 0.000 2.010 883 C HN 0.352 nan 8.230 nan 0.000 0.483 884 V N 1.215 121.338 119.914 0.349 0.000 2.307 884 V HA -0.175 3.946 4.120 0.002 0.000 0.245 884 V C 2.710 179.073 176.094 0.449 0.000 1.045 884 V CA 2.166 64.788 62.300 0.538 0.000 1.024 884 V CB -1.294 30.812 31.823 0.472 0.000 0.651 884 V HN 0.586 nan 8.190 nan 0.000 0.449 885 A N 0.924 123.949 122.820 0.342 0.000 1.883 885 A HA -0.266 4.056 4.320 0.002 0.000 0.217 885 A C 2.491 180.170 177.584 0.157 0.000 1.186 885 A CA 2.849 55.013 52.037 0.212 0.000 0.624 885 A CB -1.104 17.969 19.000 0.122 0.000 0.822 885 A HN 0.645 nan 8.150 nan 0.000 0.444 886 T N -3.872 110.779 114.554 0.162 0.000 2.904 886 T HA -0.164 4.187 4.350 0.002 0.000 0.267 886 T C 1.816 176.624 174.700 0.181 0.000 1.059 886 T CA 1.432 63.617 62.100 0.140 0.000 1.137 886 T CB -0.510 68.420 68.868 0.103 0.000 0.879 886 T HN 0.470 nan 8.240 nan 0.000 0.467 887 Y N 2.349 122.716 120.300 0.110 0.000 2.114 887 Y HA -0.032 4.519 4.550 0.002 0.000 0.284 887 Y C 2.345 178.386 175.900 0.235 0.000 1.143 887 Y CA 0.926 59.137 58.100 0.186 0.000 1.135 887 Y CB -0.722 37.932 38.460 0.323 0.000 0.980 887 Y HN 0.057 nan 8.280 nan 0.000 0.499 888 V N 0.821 120.786 119.914 0.085 0.000 2.343 888 V HA -0.309 3.812 4.120 0.002 0.000 0.247 888 V C 2.309 178.335 176.094 -0.115 0.000 1.051 888 V CA 2.126 64.384 62.300 -0.069 0.000 1.036 888 V CB -0.715 31.123 31.823 0.024 0.000 0.654 888 V HN 0.454 nan 8.190 nan 0.000 0.451 889 L N 0.254 121.435 121.223 -0.070 0.000 2.599 889 L HA 0.271 4.612 4.340 0.002 0.000 0.230 889 L C 1.586 178.360 176.870 -0.161 0.000 1.141 889 L CA 0.706 55.462 54.840 -0.140 0.000 0.877 889 L CB -0.708 41.339 42.059 -0.019 0.000 1.009 889 L HN 0.545 nan 8.230 nan 0.000 0.447 890 G N 1.644 110.434 108.800 -0.017 0.000 2.295 890 G HA2 -0.294 3.667 3.960 0.002 0.000 0.287 890 G HA3 -0.294 3.667 3.960 0.002 0.000 0.287 890 G C 0.051 174.967 174.900 0.026 0.000 1.055 890 G CA -0.107 44.969 45.100 -0.039 0.000 0.922 890 G HN 0.344 nan 8.290 nan 0.000 0.503 891 I N 1.612 122.260 120.570 0.130 0.000 2.308 891 I HA 0.451 4.622 4.170 0.002 0.000 0.293 891 I C 1.371 177.608 176.117 0.199 0.000 1.078 891 I CA 0.255 61.687 61.300 0.220 0.000 1.292 891 I CB 0.668 38.833 38.000 0.275 0.000 1.423 891 I HN 0.228 nan 8.210 nan 0.000 0.493 892 G N 3.009 111.921 108.800 0.188 0.000 2.568 892 G HA2 0.231 4.192 3.960 0.002 0.000 0.293 892 G HA3 0.231 4.192 3.960 0.002 0.000 0.293 892 G C -0.006 174.952 174.900 0.097 0.000 1.347 892 G CA -0.290 44.885 45.100 0.125 0.000 1.039 892 G HN 0.662 nan 8.290 nan 0.000 0.523 893 D N -1.261 119.164 120.400 0.041 0.000 2.708 893 D HA -0.140 4.501 4.640 0.002 0.000 0.236 893 D C 0.291 176.514 176.300 -0.127 0.000 1.146 893 D CA 0.495 54.494 54.000 -0.002 0.000 0.662 893 D CB -0.516 40.270 40.800 -0.024 0.000 1.059 893 D HN 0.246 nan 8.370 nan 0.000 0.428 894 R N 0.977 121.453 120.500 -0.040 0.000 2.308 894 R HA 0.529 4.870 4.340 0.002 0.000 0.305 894 R C 0.613 176.869 176.300 -0.074 0.000 1.053 894 R CA -0.188 55.870 56.100 -0.069 0.000 0.957 894 R CB 1.048 31.439 30.300 0.152 0.000 1.022 894 R HN 0.571 nan 8.270 nan 0.000 0.461 895 H N -2.472 116.608 119.070 0.017 0.000 2.905 895 H HA 0.186 4.743 4.556 0.002 0.000 0.280 895 H C 0.481 175.781 175.328 -0.047 0.000 1.445 895 H CA -0.542 55.493 56.048 -0.021 0.000 1.165 895 H CB 0.115 29.864 29.762 -0.021 0.000 1.857 895 H HN 0.335 nan 8.280 nan 0.000 0.567 896 S N -1.440 114.373 115.700 0.190 0.000 2.481 896 S HA -0.109 4.362 4.470 0.002 0.000 0.231 896 S C 0.615 175.247 174.600 0.054 0.000 0.996 896 S CA 1.157 59.399 58.200 0.071 0.000 0.942 896 S CB -0.298 62.910 63.200 0.013 0.000 0.768 896 S HN 0.601 nan 8.310 nan 0.000 0.520 897 D N 2.556 123.056 120.400 0.165 0.000 2.323 897 D HA 0.001 4.642 4.640 0.002 0.000 0.209 897 D C 1.098 177.437 176.300 0.065 0.000 0.973 897 D CA 0.723 54.777 54.000 0.089 0.000 0.874 897 D CB -0.206 40.615 40.800 0.036 0.000 0.930 897 D HN 0.848 nan 8.370 nan 0.000 0.521 898 N N 0.125 118.852 118.700 0.044 0.000 2.235 898 N HA 0.113 4.854 4.740 0.002 0.000 0.231 898 N C 0.029 175.346 175.510 -0.321 0.000 1.177 898 N CA -0.112 52.845 53.050 -0.154 0.000 0.874 898 N CB 1.112 39.477 38.487 -0.203 0.000 1.097 898 N HN 0.026 nan 8.380 nan 0.000 0.518 899 I N 1.383 121.758 120.570 -0.326 0.000 2.433 899 I HA 0.422 4.593 4.170 0.002 0.000 0.292 899 I C -0.321 175.502 176.117 -0.491 0.000 1.001 899 I CA -0.701 60.283 61.300 -0.526 0.000 1.119 899 I CB 1.935 39.690 38.000 -0.410 0.000 1.289 899 I HN -0.112 nan 8.210 nan 0.000 0.438 900 M N 6.297 125.428 119.600 -0.783 0.000 2.716 900 M HA 0.635 5.116 4.480 0.002 0.000 0.307 900 M C -1.268 174.612 176.300 -0.700 0.000 1.223 900 M CA -0.965 53.865 55.300 -0.783 0.000 0.871 900 M CB 2.839 34.802 32.600 -1.062 0.000 1.739 900 M HN 0.407 nan 8.290 nan 0.000 0.475 901 I N -1.295 119.050 120.570 -0.375 0.000 2.619 901 I HA 0.610 4.781 4.170 0.002 0.000 0.292 901 I C -0.779 175.439 176.117 0.169 0.000 1.100 901 I CA -0.828 60.419 61.300 -0.087 0.000 1.043 901 I CB 1.600 39.553 38.000 -0.079 0.000 1.239 901 I HN 0.574 nan 8.210 nan 0.000 0.420 902 R N 2.834 123.566 120.500 0.387 0.000 2.528 902 R HA 0.328 4.669 4.340 0.002 0.000 0.271 902 R C 0.492 177.116 176.300 0.540 0.000 1.056 902 R CA -0.535 55.842 56.100 0.462 0.000 1.117 902 R CB 0.996 31.524 30.300 0.380 0.000 1.085 902 R HN 0.745 nan 8.270 nan 0.000 0.530 903 E N 0.321 120.807 120.200 0.476 0.000 2.265 903 E HA -0.153 4.198 4.350 0.002 0.000 0.196 903 E C 1.581 178.273 176.600 0.153 0.000 0.996 903 E CA 1.436 57.983 56.400 0.244 0.000 0.832 903 E CB 0.112 29.851 29.700 0.065 0.000 0.756 903 E HN 0.583 nan 8.360 nan 0.000 0.491 904 S N -0.756 115.057 115.700 0.190 0.000 2.474 904 S HA 0.008 4.479 4.470 0.002 0.000 0.235 904 S C 1.730 176.443 174.600 0.189 0.000 0.997 904 S CA 0.692 58.982 58.200 0.150 0.000 0.949 904 S CB 0.195 63.479 63.200 0.141 0.000 0.766 904 S HN 0.401 nan 8.310 nan 0.000 0.517 905 G N 0.114 109.083 108.800 0.281 0.000 2.218 905 G HA2 -0.221 3.740 3.960 0.002 0.000 0.216 905 G HA3 -0.221 3.740 3.960 0.002 0.000 0.216 905 G C -0.146 174.967 174.900 0.355 0.000 0.994 905 G CA -0.124 45.178 45.100 0.337 0.000 0.637 905 G HN 0.585 nan 8.290 nan 0.000 0.505 906 Q N 0.456 120.421 119.800 0.276 0.000 2.297 906 Q HA 0.559 4.901 4.340 0.002 0.000 0.267 906 Q C 0.422 176.568 176.000 0.243 0.000 1.006 906 Q CA -0.078 55.867 55.803 0.237 0.000 0.896 906 Q CB 1.602 30.480 28.738 0.234 0.000 1.186 906 Q HN 0.542 nan 8.270 nan 0.000 0.392 907 L N 4.573 125.839 121.223 0.070 0.000 2.375 907 L HA 0.615 4.956 4.340 0.002 0.000 0.271 907 L C -0.987 175.885 176.870 0.004 0.000 1.107 907 L CA -0.468 54.304 54.840 -0.114 0.000 0.806 907 L CB 0.348 42.117 42.059 -0.483 0.000 1.146 907 L HN 0.679 nan 8.230 nan 0.000 0.447 908 F N 0.965 120.715 119.950 -0.333 0.000 2.711 908 F HA 0.538 5.066 4.527 0.002 0.000 0.313 908 F C -1.240 174.309 175.800 -0.418 0.000 1.141 908 F CA -1.078 56.568 58.000 -0.591 0.000 0.941 908 F CB 1.146 40.060 39.000 -0.144 0.000 1.349 908 F HN 0.347 nan 8.300 nan 0.000 0.464 909 H N 1.566 120.443 119.070 -0.322 0.000 2.529 909 H HA 0.761 5.318 4.556 0.002 0.000 0.348 909 H C -0.587 174.639 175.328 -0.170 0.000 1.152 909 H CA -0.537 55.355 56.048 -0.260 0.000 1.202 909 H CB 2.713 32.414 29.762 -0.102 0.000 1.562 909 H HN 0.789 nan 8.280 nan 0.000 0.515 910 I N -1.953 118.442 120.570 -0.292 0.000 3.206 910 I HA 0.332 4.503 4.170 0.002 0.000 0.313 910 I C -0.705 175.183 176.117 -0.381 0.000 1.103 910 I CA -1.036 60.147 61.300 -0.195 0.000 0.985 910 I CB 2.080 40.025 38.000 -0.091 0.000 1.240 910 I HN 0.411 nan 8.210 nan 0.000 0.464 911 D N 1.887 122.189 120.400 -0.164 0.000 2.803 911 D HA -0.187 4.454 4.640 0.002 0.000 0.233 911 D C -0.675 175.559 176.300 -0.110 0.000 1.182 911 D CA 1.040 54.992 54.000 -0.080 0.000 0.726 911 D CB -1.023 39.757 40.800 -0.034 0.000 0.987 911 D HN 0.367 nan 8.370 nan 0.000 0.412 912 F N 0.047 120.070 119.950 0.122 0.000 2.399 912 F HA 0.518 5.046 4.527 0.001 0.000 0.313 912 F C 2.059 177.876 175.800 0.029 0.000 1.202 912 F CA 0.725 58.780 58.000 0.092 0.000 1.192 912 F CB 0.866 39.910 39.000 0.073 0.000 1.256 912 F HN 0.122 nan 8.300 nan 0.000 0.558 913 G N -0.883 108.036 108.800 0.198 0.000 4.474 913 G HA2 0.028 3.989 3.960 0.002 0.000 0.202 913 G HA3 0.028 3.989 3.960 0.002 0.000 0.202 913 G C -0.957 173.742 174.900 -0.335 0.000 0.708 913 G CA -0.224 44.831 45.100 -0.075 0.000 0.806 913 G HN 0.658 nan 8.290 nan 0.000 0.508 914 H N 0.041 119.169 119.070 0.096 0.000 2.689 914 H HA 0.714 5.271 4.556 0.002 0.000 0.346 914 H C -0.604 174.859 175.328 0.223 0.000 1.037 914 H CA -0.662 55.463 56.048 0.128 0.000 1.234 914 H CB 1.691 31.546 29.762 0.155 0.000 1.572 914 H HN 0.356 nan 8.280 nan 0.000 0.524 915 F N 0.179 120.184 119.950 0.092 0.000 2.779 915 F HA 0.357 4.885 4.527 0.002 0.000 0.316 915 F C -0.806 174.898 175.800 -0.161 0.000 1.164 915 F CA -1.674 56.316 58.000 -0.017 0.000 0.924 915 F CB 1.324 40.317 39.000 -0.012 0.000 1.348 915 F HN 0.431 nan 8.300 nan 0.000 0.467 916 L N 1.558 122.477 121.223 -0.506 0.000 3.858 916 L HA -0.249 4.092 4.340 0.002 0.000 0.425 916 L C 1.054 177.268 176.870 -1.094 0.000 1.177 916 L CA 1.017 55.232 54.840 -1.041 0.000 0.943 916 L CB -2.176 39.430 42.059 -0.754 0.000 1.861 916 L HN 1.433 nan 8.230 nan 0.000 0.985 917 G N -0.893 107.483 108.800 -0.708 0.000 2.184 917 G HA2 -0.344 3.617 3.960 0.002 0.000 0.264 917 G HA3 -0.344 3.617 3.960 0.002 0.000 0.264 917 G C 0.211 175.221 174.900 0.184 0.000 0.975 917 G CA 0.508 45.491 45.100 -0.195 0.000 0.642 917 G HN 0.663 nan 8.290 nan 0.000 0.536 918 N N 1.434 120.220 118.700 0.142 0.000 2.971 918 N HA 0.465 5.206 4.740 0.002 0.000 0.294 918 N C 0.629 176.332 175.510 0.322 0.000 1.210 918 N CA -0.213 52.961 53.050 0.207 0.000 1.157 918 N CB -0.122 38.450 38.487 0.142 0.000 1.450 918 N HN 0.573 nan 8.380 nan 0.000 0.527 930 V N 3.110 123.162 119.914 0.231 0.000 2.530 930 V HA 0.762 4.883 4.120 0.002 0.000 0.282 930 V C -1.888 174.328 176.094 0.205 0.000 1.048 930 V CA -1.176 61.215 62.300 0.151 0.000 0.997 930 V CB 0.608 32.523 31.823 0.152 0.000 0.987 930 V HN 0.686 nan 8.190 nan 0.000 0.477 931 P HA 0.275 nan 4.420 nan 0.000 0.276 931 P C -0.481 176.988 177.300 0.283 0.000 1.252 931 P CA -0.560 62.661 63.100 0.202 0.000 0.802 931 P CB 0.610 32.360 31.700 0.084 0.000 1.035 932 F N 1.525 121.511 119.950 0.061 0.000 2.602 932 F HA 0.106 4.634 4.527 0.002 0.000 0.367 932 F C 0.223 175.996 175.800 -0.045 0.000 1.126 932 F CA 0.409 58.349 58.000 -0.099 0.000 1.321 932 F CB 0.184 38.858 39.000 -0.543 0.000 1.094 932 F HN 0.051 nan 8.300 nan 0.000 0.594 933 I N 7.745 128.099 120.570 -0.361 0.000 2.389 933 I HA 0.293 4.464 4.170 0.002 0.000 0.288 933 I C -0.730 175.329 176.117 -0.096 0.000 0.999 933 I CA -0.623 60.599 61.300 -0.130 0.000 1.129 933 I CB 1.283 39.253 38.000 -0.050 0.000 1.288 933 I HN 0.486 nan 8.210 nan 0.000 0.444 934 L N 5.633 126.884 121.223 0.047 0.000 2.305 934 L HA 0.452 4.793 4.340 0.002 0.000 0.284 934 L C 0.137 177.060 176.870 0.088 0.000 1.013 934 L CA -0.351 54.566 54.840 0.129 0.000 0.819 934 L CB 2.017 44.168 42.059 0.153 0.000 1.227 934 L HN 0.526 nan 8.230 nan 0.000 0.417 935 T N 1.413 116.001 114.554 0.056 0.000 2.799 935 T HA 0.100 4.451 4.350 0.002 0.000 0.286 935 T C 0.602 175.309 174.700 0.011 0.000 0.973 935 T CA -0.187 61.849 62.100 -0.107 0.000 1.035 935 T CB 1.276 69.751 68.868 -0.656 0.000 0.932 935 T HN 0.436 nan 8.240 nan 0.000 0.469 936 Y N 3.188 123.485 120.300 -0.004 0.000 2.128 936 Y HA -0.221 4.330 4.550 0.002 0.000 0.284 936 Y C 1.883 177.813 175.900 0.051 0.000 1.154 936 Y CA 1.883 60.024 58.100 0.068 0.000 1.149 936 Y CB -0.119 38.449 38.460 0.180 0.000 0.976 936 Y HN 0.620 nan 8.280 nan 0.000 0.505 937 D N -0.596 119.800 120.400 -0.006 0.000 2.218 937 D HA -0.155 4.486 4.640 0.002 0.000 0.204 937 D C 1.891 178.327 176.300 0.226 0.000 0.976 937 D CA 1.187 55.182 54.000 -0.009 0.000 0.853 937 D CB -0.339 40.484 40.800 0.039 0.000 0.939 937 D HN 0.321 nan 8.370 nan 0.000 0.481 938 F N 0.103 120.130 119.950 0.128 0.000 2.187 938 F HA -0.020 4.508 4.527 0.002 0.000 0.295 938 F C 2.469 178.357 175.800 0.146 0.000 1.091 938 F CA 0.038 58.201 58.000 0.271 0.000 1.308 938 F CB -1.172 37.997 39.000 0.281 0.000 1.030 938 F HN -0.149 nan 8.300 nan 0.000 0.487 939 V N -0.034 120.012 119.914 0.221 0.000 2.332 939 V HA -0.336 3.785 4.120 0.002 0.000 0.248 939 V C 2.411 178.514 176.094 0.017 0.000 1.055 939 V CA 2.374 64.738 62.300 0.107 0.000 1.038 939 V CB -0.976 30.893 31.823 0.077 0.000 0.651 939 V HN 0.361 nan 8.190 nan 0.000 0.450 940 H N -0.184 118.762 119.070 -0.207 0.000 2.353 940 H HA -0.135 4.422 4.556 0.002 0.000 0.300 940 H C 2.047 177.284 175.328 -0.151 0.000 1.090 940 H CA 2.170 58.059 56.048 -0.265 0.000 1.327 940 H CB -0.128 29.385 29.762 -0.414 0.000 1.383 940 H HN 0.199 nan 8.280 nan 0.000 0.508 941 V N 0.399 120.239 119.914 -0.124 0.000 2.307 941 V HA -0.220 3.901 4.120 0.002 0.000 0.245 941 V C 2.551 178.546 176.094 -0.165 0.000 1.045 941 V CA 1.909 64.040 62.300 -0.282 0.000 1.024 941 V CB -0.509 30.877 31.823 -0.729 0.000 0.651 941 V HN 0.434 nan 8.190 nan 0.000 0.449 942 I N -0.133 120.435 120.570 -0.003 0.000 2.264 942 I HA -0.293 3.878 4.170 0.002 0.000 0.248 942 I C 2.310 178.453 176.117 0.043 0.000 1.111 942 I CA 1.569 62.916 61.300 0.078 0.000 1.382 942 I CB -0.341 37.677 38.000 0.031 0.000 1.060 942 I HN 0.379 nan 8.210 nan 0.000 0.418 943 Q N 0.602 120.396 119.800 -0.009 0.000 2.373 943 Q HA -0.019 4.322 4.340 0.002 0.000 0.206 943 Q C -0.035 175.894 176.000 -0.118 0.000 0.942 943 Q CA 0.075 55.859 55.803 -0.033 0.000 0.953 943 Q CB 0.188 28.899 28.738 -0.044 0.000 1.022 943 Q HN 0.466 nan 8.270 nan 0.000 0.502 944 Q N -1.417 118.296 119.800 -0.146 0.000 2.494 944 Q HA -0.246 4.095 4.340 0.002 0.000 0.272 944 Q C 0.578 176.437 176.000 -0.234 0.000 1.145 944 Q CA 0.249 55.963 55.803 -0.149 0.000 0.943 944 Q CB -2.021 26.674 28.738 -0.071 0.000 1.338 944 Q HN 0.711 nan 8.270 nan 0.000 0.492 945 G N -0.406 108.111 108.800 -0.472 0.000 2.155 945 G HA2 -0.348 3.613 3.960 0.002 0.000 0.257 945 G HA3 -0.348 3.613 3.960 0.002 0.000 0.257 945 G C -0.069 174.606 174.900 -0.375 0.000 0.983 945 G CA 0.713 45.415 45.100 -0.664 0.000 0.676 945 G HN 0.304 nan 8.290 nan 0.000 0.528 946 K N -0.063 120.179 120.400 -0.262 0.000 2.138 946 K HA 0.551 4.872 4.320 0.002 0.000 0.263 946 K C 1.333 177.881 176.600 -0.088 0.000 0.965 946 K CA -0.173 56.041 56.287 -0.122 0.000 0.868 946 K CB 1.366 33.821 32.500 -0.075 0.000 1.083 946 K HN 0.013 nan 8.250 nan 0.000 0.443 947 T N 1.125 115.656 114.554 -0.039 0.000 2.684 947 T HA -0.102 4.249 4.350 0.002 0.000 0.267 947 T C 0.448 175.133 174.700 -0.025 0.000 1.036 947 T CA 1.286 63.377 62.100 -0.014 0.000 1.148 947 T CB -0.095 68.762 68.868 -0.019 0.000 0.863 947 T HN 0.521 nan 8.240 nan 0.000 0.436 948 N N 2.094 120.778 118.700 -0.026 0.000 2.354 948 N HA 0.369 5.110 4.740 0.002 0.000 0.287 948 N C -1.179 174.327 175.510 -0.006 0.000 1.016 948 N CA -0.353 52.686 53.050 -0.019 0.000 0.871 948 N CB 1.516 39.995 38.487 -0.012 0.000 1.299 948 N HN 0.075 nan 8.380 nan 0.000 0.482 949 N N 0.595 119.304 118.700 0.015 0.000 2.884 949 N HA -0.013 4.728 4.740 0.002 0.000 0.211 949 N C 0.262 175.836 175.510 0.107 0.000 1.442 949 N CA -0.152 52.925 53.050 0.045 0.000 0.757 949 N CB 0.157 38.662 38.487 0.030 0.000 1.461 949 N HN 0.390 nan 8.380 nan 0.000 0.557 950 S N -0.325 115.434 115.700 0.098 0.000 2.423 950 S HA -0.129 4.342 4.470 0.002 0.000 0.231 950 S C 1.480 176.169 174.600 0.150 0.000 1.014 950 S CA 1.029 59.321 58.200 0.154 0.000 0.965 950 S CB 0.031 63.295 63.200 0.107 0.000 0.785 950 S HN 0.605 nan 8.310 nan 0.000 0.495 951 E N 1.480 121.737 120.200 0.094 0.000 2.051 951 E HA -0.176 4.175 4.350 0.002 0.000 0.192 951 E C 1.851 178.493 176.600 0.071 0.000 0.991 951 E CA 1.025 57.464 56.400 0.065 0.000 0.799 951 E CB -0.012 29.715 29.700 0.044 0.000 0.748 951 E HN 0.269 nan 8.360 nan 0.000 0.449 952 K N 0.063 120.522 120.400 0.099 0.000 2.062 952 K HA -0.120 4.201 4.320 0.002 0.000 0.205 952 K C 2.016 178.710 176.600 0.156 0.000 1.051 952 K CA 0.843 57.195 56.287 0.109 0.000 0.941 952 K CB -0.558 32.006 32.500 0.106 0.000 0.719 952 K HN 0.209 nan 8.250 nan 0.000 0.440 953 F N 2.793 122.801 119.950 0.095 0.000 2.146 953 F HA -0.132 4.396 4.527 0.002 0.000 0.298 953 F C 1.971 177.892 175.800 0.201 0.000 1.096 953 F CA 1.405 59.514 58.000 0.183 0.000 1.275 953 F CB 0.169 39.268 39.000 0.165 0.000 1.008 953 F HN -0.011 nan 8.300 nan 0.000 0.480 954 E N 0.239 120.493 120.200 0.090 0.000 2.208 954 E HA -0.113 4.238 4.350 0.002 0.000 0.193 954 E C 2.339 178.806 176.600 -0.221 0.000 0.988 954 E CA 0.561 56.917 56.400 -0.073 0.000 0.828 954 E CB -0.346 29.364 29.700 0.017 0.000 0.763 954 E HN 0.495 nan 8.360 nan 0.000 0.478 955 R N -0.031 120.347 120.500 -0.203 0.000 2.073 955 R HA -0.118 4.224 4.340 0.002 0.000 0.234 955 R C 2.308 178.174 176.300 -0.723 0.000 1.134 955 R CA 1.245 57.094 56.100 -0.419 0.000 0.952 955 R CB -0.498 29.616 30.300 -0.310 0.000 0.850 955 R HN 0.159 nan 8.270 nan 0.000 0.433 956 F N 1.963 121.592 119.950 -0.534 0.000 2.095 956 F HA -0.231 4.297 4.527 0.002 0.000 0.298 956 F C 2.534 178.133 175.800 -0.335 0.000 1.104 956 F CA 1.586 59.377 58.000 -0.348 0.000 1.232 956 F CB -0.265 38.639 39.000 -0.160 0.000 0.987 956 F HN -0.170 nan 8.300 nan 0.000 0.475 957 R N 0.379 120.480 120.500 -0.666 0.000 2.091 957 R HA -0.136 4.205 4.340 0.002 0.000 0.238 957 R C 2.482 178.397 176.300 -0.642 0.000 1.136 957 R CA 1.563 57.136 56.100 -0.879 0.000 0.959 957 R CB -1.222 28.559 30.300 -0.864 0.000 0.856 957 R HN 0.504 nan 8.270 nan 0.000 0.437 958 G N -0.050 108.450 108.800 -0.500 0.000 2.440 958 G HA2 -0.278 3.683 3.960 0.002 0.000 0.218 958 G HA3 -0.278 3.683 3.960 0.002 0.000 0.218 958 G C 0.992 175.742 174.900 -0.250 0.000 1.154 958 G CA 0.855 45.742 45.100 -0.355 0.000 0.767 958 G HN 0.321 nan 8.290 nan 0.000 0.552 959 Y N 0.665 120.809 120.300 -0.261 0.000 2.128 959 Y HA -0.120 4.431 4.550 0.002 0.000 0.284 959 Y C 3.202 178.908 175.900 -0.322 0.000 1.154 959 Y CA 0.127 58.072 58.100 -0.260 0.000 1.149 959 Y CB -1.346 36.993 38.460 -0.201 0.000 0.976 959 Y HN 0.220 nan 8.280 nan 0.000 0.505 960 C N 0.065 119.230 119.300 -0.225 0.000 2.413 960 C HA -0.206 4.255 4.460 0.002 0.000 0.276 960 C C 2.606 177.492 174.990 -0.173 0.000 1.236 960 C CA 1.212 60.144 59.018 -0.143 0.000 1.735 960 C CB -1.029 26.676 27.740 -0.059 0.000 2.031 960 C HN 0.570 nan 8.230 nan 0.000 0.474 961 E N 0.192 120.254 120.200 -0.229 0.000 2.047 961 E HA -0.170 4.181 4.350 0.002 0.000 0.191 961 E C 2.440 178.934 176.600 -0.177 0.000 0.987 961 E CA 0.902 57.148 56.400 -0.257 0.000 0.799 961 E CB -0.215 29.369 29.700 -0.194 0.000 0.752 961 E HN 0.556 nan 8.360 nan 0.000 0.449 962 R N 0.459 120.876 120.500 -0.139 0.000 2.096 962 R HA -0.173 4.168 4.340 0.002 0.000 0.240 962 R C 2.402 178.632 176.300 -0.116 0.000 1.139 962 R CA 1.361 57.400 56.100 -0.101 0.000 0.952 962 R CB -0.373 29.883 30.300 -0.075 0.000 0.854 962 R HN 0.124 nan 8.270 nan 0.000 0.436 963 A N 0.177 122.854 122.820 -0.239 0.000 1.902 963 A HA -0.231 4.090 4.320 0.002 0.000 0.217 963 A C 2.005 179.678 177.584 0.149 0.000 1.181 963 A CA 1.358 53.190 52.037 -0.341 0.000 0.623 963 A CB -0.779 17.773 19.000 -0.747 0.000 0.818 963 A HN 0.480 nan 8.150 nan 0.000 0.443 964 Y N 1.886 122.098 120.300 -0.147 0.000 2.181 964 Y HA -0.225 4.326 4.550 0.002 0.000 0.288 964 Y C 2.907 178.742 175.900 -0.108 0.000 1.146 964 Y CA 2.465 60.446 58.100 -0.199 0.000 1.164 964 Y CB -0.721 37.261 38.460 -0.796 0.000 0.982 964 Y HN 0.463 nan 8.280 nan 0.000 0.515 965 T N -1.661 112.796 114.554 -0.161 0.000 2.821 965 T HA -0.184 4.167 4.350 0.002 0.000 0.267 965 T C 1.994 176.647 174.700 -0.077 0.000 1.046 965 T CA 1.689 63.688 62.100 -0.170 0.000 1.139 965 T CB -0.897 67.924 68.868 -0.078 0.000 0.871 965 T HN 0.407 nan 8.240 nan 0.000 0.454 966 I N 1.098 121.703 120.570 0.058 0.000 2.179 966 I HA -0.102 4.069 4.170 0.002 0.000 0.242 966 I C 2.595 178.847 176.117 0.224 0.000 1.088 966 I CA 1.222 62.636 61.300 0.190 0.000 1.357 966 I CB -0.442 37.778 38.000 0.367 0.000 1.051 966 I HN 0.209 nan 8.210 nan 0.000 0.409 967 L N 0.113 121.452 121.223 0.194 0.000 2.012 967 L HA -0.218 4.123 4.340 0.002 0.000 0.210 967 L C 2.781 179.666 176.870 0.026 0.000 1.073 967 L CA 1.450 56.365 54.840 0.125 0.000 0.748 967 L CB -0.740 41.312 42.059 -0.012 0.000 0.891 967 L HN 0.208 nan 8.230 nan 0.000 0.431 968 R N 0.048 120.443 120.500 -0.175 0.000 2.117 968 R HA -0.186 4.155 4.340 0.002 0.000 0.243 968 R C 2.373 178.610 176.300 -0.105 0.000 1.143 968 R CA 1.415 57.394 56.100 -0.201 0.000 0.968 968 R CB -0.354 29.756 30.300 -0.317 0.000 0.863 968 R HN 0.398 nan 8.270 nan 0.000 0.444 969 R N -0.542 119.899 120.500 -0.099 0.000 2.189 969 R HA -0.097 4.244 4.340 0.002 0.000 0.223 969 R C 0.757 176.866 176.300 -0.318 0.000 1.092 969 R CA 1.100 57.086 56.100 -0.191 0.000 0.989 969 R CB -0.088 30.084 30.300 -0.213 0.000 0.876 969 R HN 0.446 nan 8.270 nan 0.000 0.457 970 H N -1.497 117.595 119.070 0.036 0.000 2.487 970 H HA 0.181 4.738 4.556 0.002 0.000 0.290 970 H C 1.600 176.998 175.328 0.117 0.000 1.081 970 H CA 0.010 56.087 56.048 0.048 0.000 1.116 970 H CB 0.716 30.511 29.762 0.054 0.000 1.560 970 H HN 0.245 nan 8.280 nan 0.000 0.548 971 G N 0.795 109.672 108.800 0.128 0.000 2.476 971 G HA2 -0.270 3.691 3.960 0.002 0.000 0.218 971 G HA3 -0.270 3.691 3.960 0.002 0.000 0.218 971 G C 1.526 176.449 174.900 0.039 0.000 1.164 971 G CA 0.714 45.875 45.100 0.101 0.000 0.768 971 G HN 0.369 nan 8.290 nan 0.000 0.560 972 L N -0.362 120.810 121.223 -0.085 0.000 2.131 972 L HA -0.052 4.289 4.340 0.002 0.000 0.210 972 L C 2.697 179.305 176.870 -0.437 0.000 1.092 972 L CA 0.513 55.172 54.840 -0.302 0.000 0.759 972 L CB -0.375 41.498 42.059 -0.309 0.000 0.903 972 L HN 0.258 nan 8.230 nan 0.000 0.435 973 L N -0.642 120.455 121.223 -0.209 0.000 2.017 973 L HA -0.177 4.164 4.340 0.002 0.000 0.208 973 L C 2.301 179.041 176.870 -0.216 0.000 1.073 973 L CA 1.809 56.505 54.840 -0.240 0.000 0.745 973 L CB -0.551 41.360 42.059 -0.248 0.000 0.894 973 L HN -0.010 nan 8.230 nan 0.000 0.432 974 F N -0.452 119.480 119.950 -0.031 0.000 2.095 974 F HA -0.230 4.298 4.527 0.002 0.000 0.298 974 F C 2.275 178.155 175.800 0.135 0.000 1.104 974 F CA 1.700 59.749 58.000 0.083 0.000 1.232 974 F CB -0.806 38.222 39.000 0.045 0.000 0.987 974 F HN 0.023 nan 8.300 nan 0.000 0.475 975 L N -0.971 120.345 121.223 0.156 0.000 2.046 975 L HA -0.259 4.082 4.340 0.002 0.000 0.208 975 L C 2.394 179.370 176.870 0.177 0.000 1.077 975 L CA 1.700 56.601 54.840 0.102 0.000 0.747 975 L CB -1.029 41.026 42.059 -0.005 0.000 0.896 975 L HN 0.272 nan 8.230 nan 0.000 0.432 976 H N -0.445 118.663 119.070 0.064 0.000 2.353 976 H HA -0.128 4.429 4.556 0.002 0.000 0.300 976 H C 2.410 177.738 175.328 -0.000 0.000 1.090 976 H CA 0.928 56.985 56.048 0.016 0.000 1.327 976 H CB 0.060 29.791 29.762 -0.052 0.000 1.383 976 H HN 0.228 nan 8.280 nan 0.000 0.508 977 L N -0.327 120.948 121.223 0.086 0.000 2.017 977 L HA -0.178 4.163 4.340 0.002 0.000 0.208 977 L C 2.023 178.889 176.870 -0.006 0.000 1.073 977 L CA 1.029 55.849 54.840 -0.034 0.000 0.745 977 L CB -0.370 41.600 42.059 -0.148 0.000 0.894 977 L HN 0.210 nan 8.230 nan 0.000 0.432 978 F N 0.049 120.017 119.950 0.030 0.000 2.171 978 F HA -0.191 4.337 4.527 0.002 0.000 0.300 978 F C 2.580 178.407 175.800 0.044 0.000 1.090 978 F CA 1.173 59.194 58.000 0.035 0.000 1.293 978 F CB -0.633 38.379 39.000 0.020 0.000 1.013 978 F HN 0.010 nan 8.300 nan 0.000 0.486 979 A N 0.183 123.140 122.820 0.228 0.000 1.908 979 A HA -0.169 4.152 4.320 0.002 0.000 0.218 979 A C 2.230 179.903 177.584 0.148 0.000 1.181 979 A CA 1.560 53.701 52.037 0.174 0.000 0.627 979 A CB -1.069 18.035 19.000 0.175 0.000 0.818 979 A HN 0.399 nan 8.150 nan 0.000 0.445 980 L N -1.493 119.793 121.223 0.104 0.000 2.141 980 L HA -0.135 4.206 4.340 0.002 0.000 0.209 980 L C 2.554 179.411 176.870 -0.021 0.000 1.094 980 L CA 0.751 55.633 54.840 0.069 0.000 0.763 980 L CB -0.472 41.592 42.059 0.009 0.000 0.908 980 L HN 0.295 nan 8.230 nan 0.000 0.437 981 M N -0.303 119.270 119.600 -0.046 0.000 2.460 981 M HA -0.111 4.370 4.480 0.002 0.000 0.263 981 M C 2.161 178.433 176.300 -0.047 0.000 1.071 981 M CA 1.334 56.575 55.300 -0.097 0.000 1.096 981 M CB -0.954 31.544 32.600 -0.170 0.000 1.408 981 M HN 0.154 nan 8.290 nan 0.000 0.463 982 R N -0.530 119.985 120.500 0.025 0.000 2.200 982 R HA -0.081 4.260 4.340 0.002 0.000 0.234 982 R C 1.994 178.277 176.300 -0.027 0.000 1.127 982 R CA 1.189 57.314 56.100 0.041 0.000 0.989 982 R CB -0.463 29.897 30.300 0.100 0.000 0.869 982 R HN 0.367 nan 8.270 nan 0.000 0.459 983 A N 0.932 123.665 122.820 -0.145 0.000 2.067 983 A HA -0.027 4.294 4.320 0.002 0.000 0.219 983 A C 2.199 179.608 177.584 -0.292 0.000 1.158 983 A CA 1.409 53.188 52.037 -0.430 0.000 0.661 983 A CB -0.267 18.151 19.000 -0.971 0.000 0.801 983 A HN 0.367 nan 8.150 nan 0.000 0.452 984 A N -1.557 121.148 122.820 -0.190 0.000 2.119 984 A HA 0.382 4.703 4.320 0.002 0.000 0.216 984 A C 1.885 179.396 177.584 -0.122 0.000 1.152 984 A CA 1.248 53.195 52.037 -0.150 0.000 0.708 984 A CB -0.879 18.049 19.000 -0.120 0.000 0.805 984 A HN 1.832 nan 8.150 nan 0.000 0.460 985 G N -1.380 107.354 108.800 -0.110 0.000 2.160 985 G HA2 -0.188 3.773 3.960 0.002 0.000 0.251 985 G HA3 -0.188 3.773 3.960 0.002 0.000 0.251 985 G C -0.150 174.715 174.900 -0.059 0.000 1.008 985 G CA 0.231 45.276 45.100 -0.091 0.000 0.724 985 G HN 0.363 nan 8.290 nan 0.000 0.514 986 L N 0.192 121.390 121.223 -0.042 0.000 2.455 986 L HA 0.323 4.665 4.340 0.002 0.000 0.272 986 L C -0.440 176.428 176.870 -0.004 0.000 1.174 986 L CA -1.189 53.635 54.840 -0.028 0.000 0.869 986 L CB 0.797 42.846 42.059 -0.017 0.000 1.130 986 L HN -0.096 nan 8.230 nan 0.000 0.474 987 P HA -0.091 nan 4.420 nan 0.000 0.226 987 P C 0.492 177.810 177.300 0.029 0.000 1.153 987 P CA 0.979 64.077 63.100 -0.003 0.000 0.777 987 P CB 0.287 31.976 31.700 -0.018 0.000 0.794 988 E N -1.282 118.954 120.200 0.060 0.000 2.463 988 E HA 0.141 4.492 4.350 0.002 0.000 0.193 988 E C -0.160 176.597 176.600 0.262 0.000 1.041 988 E CA -0.087 56.405 56.400 0.154 0.000 0.879 988 E CB 0.184 29.992 29.700 0.180 0.000 0.997 988 E HN 0.037 nan 8.360 nan 0.000 0.478 989 L N 0.073 121.414 121.223 0.196 0.000 2.489 989 L HA 0.262 4.603 4.340 0.002 0.000 0.257 989 L C -0.307 176.619 176.870 0.094 0.000 1.215 989 L CA 0.103 55.056 54.840 0.189 0.000 0.915 989 L CB 1.090 43.327 42.059 0.296 0.000 1.146 989 L HN -0.208 nan 8.230 nan 0.000 0.494 990 S N 0.254 115.990 115.700 0.060 0.000 2.628 990 S HA 0.312 4.783 4.470 0.002 0.000 0.246 990 S C 0.340 174.945 174.600 0.008 0.000 1.062 990 S CA 0.322 58.533 58.200 0.019 0.000 1.028 990 S CB 0.273 63.476 63.200 0.005 0.000 0.985 990 S HN 0.744 nan 8.310 nan 0.000 0.551 991 C N -0.636 118.678 119.300 0.023 0.000 3.276 991 C HA 0.676 5.137 4.460 0.002 0.000 0.370 991 C C 1.563 176.567 174.990 0.023 0.000 1.624 991 C CA -0.437 58.589 59.018 0.013 0.000 1.179 991 C CB 0.761 28.505 27.740 0.005 0.000 1.909 991 C HN 0.085 nan 8.230 nan 0.000 0.434 992 S N 0.825 116.534 115.700 0.015 0.000 2.383 992 S HA -0.113 4.358 4.470 0.002 0.000 0.227 992 S C 1.765 176.377 174.600 0.019 0.000 1.026 992 S CA 1.223 59.432 58.200 0.015 0.000 0.981 992 S CB -0.290 62.914 63.200 0.006 0.000 0.818 992 S HN 0.721 nan 8.310 nan 0.000 0.472 993 K N 1.804 122.219 120.400 0.025 0.000 2.113 993 K HA -0.111 4.210 4.320 0.002 0.000 0.208 993 K C 1.436 178.070 176.600 0.056 0.000 1.047 993 K CA 1.256 57.568 56.287 0.040 0.000 0.928 993 K CB -0.709 31.819 32.500 0.048 0.000 0.716 993 K HN 0.406 nan 8.250 nan 0.000 0.446 994 D N 0.588 121.011 120.400 0.039 0.000 2.123 994 D HA -0.085 4.557 4.640 0.002 0.000 0.200 994 D C 1.964 178.249 176.300 -0.027 0.000 0.976 994 D CA 0.591 54.599 54.000 0.013 0.000 0.831 994 D CB -0.056 40.755 40.800 0.018 0.000 0.974 994 D HN 0.055 nan 8.370 nan 0.000 0.469 995 I N 1.027 121.590 120.570 -0.011 0.000 2.286 995 I HA -0.220 3.951 4.170 0.002 0.000 0.248 995 I C 2.408 178.497 176.117 -0.047 0.000 1.115 995 I CA 0.961 62.238 61.300 -0.038 0.000 1.392 995 I CB -1.034 36.974 38.000 0.014 0.000 1.065 995 I HN 0.004 nan 8.210 nan 0.000 0.418 996 Q N 0.518 120.310 119.800 -0.013 0.000 2.181 996 Q HA -0.255 4.087 4.340 0.002 0.000 0.205 996 Q C 2.218 178.194 176.000 -0.040 0.000 0.980 996 Q CA 1.642 57.431 55.803 -0.023 0.000 0.862 996 Q CB -0.730 28.004 28.738 -0.006 0.000 0.905 996 Q HN 0.545 nan 8.270 nan 0.000 0.429 997 Y N -0.287 119.938 120.300 -0.126 0.000 2.128 997 Y HA -0.244 4.307 4.550 0.002 0.000 0.284 997 Y C 1.841 177.614 175.900 -0.211 0.000 1.154 997 Y CA 1.808 59.815 58.100 -0.153 0.000 1.149 997 Y CB -0.086 38.269 38.460 -0.174 0.000 0.976 997 Y HN 0.163 nan 8.280 nan 0.000 0.505 998 L N -0.092 121.087 121.223 -0.073 0.000 2.056 998 L HA -0.254 4.087 4.340 0.002 0.000 0.207 998 L C 2.417 179.188 176.870 -0.165 0.000 1.078 998 L CA 1.540 56.260 54.840 -0.201 0.000 0.749 998 L CB -0.420 41.417 42.059 -0.370 0.000 0.901 998 L HN 0.228 nan 8.230 nan 0.000 0.433 999 K N -0.203 120.120 120.400 -0.129 0.000 2.044 999 K HA -0.227 4.094 4.320 0.002 0.000 0.210 999 K C 1.669 178.206 176.600 -0.106 0.000 1.049 999 K CA 1.872 58.099 56.287 -0.100 0.000 0.927 999 K CB -0.249 32.205 32.500 -0.077 0.000 0.713 999 K HN 0.346 nan 8.250 nan 0.000 0.443 1000 D N 0.194 120.509 120.400 -0.143 0.000 2.117 1000 D HA -0.118 4.523 4.640 0.002 0.000 0.198 1000 D C 2.125 178.360 176.300 -0.109 0.000 0.982 1000 D CA 1.632 55.542 54.000 -0.150 0.000 0.828 1000 D CB -0.318 40.351 40.800 -0.217 0.000 0.967 1000 D HN 0.208 nan 8.370 nan 0.000 0.464 1001 S N 0.237 115.822 115.700 -0.191 0.000 2.383 1001 S HA -0.080 4.391 4.470 0.002 0.000 0.227 1001 S C 1.968 176.656 174.600 0.147 0.000 1.026 1001 S CA 0.596 58.707 58.200 -0.148 0.000 0.981 1001 S CB -0.503 62.501 63.200 -0.326 0.000 0.818 1001 S HN 0.226 nan 8.310 nan 0.000 0.472 1002 L N 1.287 122.534 121.223 0.040 0.000 2.592 1002 L HA 0.394 4.735 4.340 0.002 0.000 0.227 1002 L C 1.329 178.219 176.870 0.033 0.000 1.127 1002 L CA 0.153 55.005 54.840 0.019 0.000 0.884 1002 L CB -0.630 41.352 42.059 -0.128 0.000 1.065 1002 L HN 0.458 nan 8.230 nan 0.000 0.457 1003 A N 0.536 123.393 122.820 0.062 0.000 2.462 1003 A HA -0.226 4.095 4.320 0.002 0.000 0.294 1003 A C 1.440 178.999 177.584 -0.042 0.000 1.461 1003 A CA 0.477 52.507 52.037 -0.012 0.000 0.765 1003 A CB -1.533 17.481 19.000 0.023 0.000 1.071 1003 A HN 0.379 nan 8.150 nan 0.000 0.401 1004 L N -0.627 120.561 121.223 -0.058 0.000 2.291 1004 L HA -0.085 4.256 4.340 0.002 0.000 0.214 1004 L C 2.333 179.172 176.870 -0.052 0.000 1.120 1004 L CA 1.997 56.800 54.840 -0.061 0.000 0.799 1004 L CB -0.769 41.252 42.059 -0.063 0.000 0.925 1004 L HN 0.786 nan 8.230 nan 0.000 0.446 1005 G N -0.180 108.588 108.800 -0.054 0.000 2.956 1005 G HA2 -0.054 3.907 3.960 0.002 0.000 0.207 1005 G HA3 -0.054 3.907 3.960 0.002 0.000 0.207 1005 G C 0.713 175.589 174.900 -0.041 0.000 1.162 1005 G CA -0.056 45.017 45.100 -0.045 0.000 0.796 1005 G HN 0.275 nan 8.290 nan 0.000 0.527 1006 K N 0.134 120.509 120.400 -0.041 0.000 2.258 1006 K HA 0.459 4.780 4.320 0.002 0.000 0.236 1006 K C 0.330 176.920 176.600 -0.018 0.000 1.008 1006 K CA -0.617 55.653 56.287 -0.028 0.000 0.869 1006 K CB 1.166 33.649 32.500 -0.028 0.000 1.171 1006 K HN 0.099 nan 8.250 nan 0.000 0.447 1007 T N -2.416 112.134 114.554 -0.007 0.000 2.766 1007 T HA 0.004 4.355 4.350 0.002 0.000 0.295 1007 T C 1.222 175.923 174.700 0.002 0.000 1.024 1007 T CA -0.345 61.753 62.100 -0.005 0.000 1.018 1007 T CB 1.043 69.912 68.868 0.002 0.000 1.002 1007 T HN 0.770 nan 8.240 nan 0.000 0.532 1008 E N 0.009 120.207 120.200 -0.004 0.000 2.110 1008 E HA -0.216 4.135 4.350 0.002 0.000 0.193 1008 E C 1.890 178.506 176.600 0.026 0.000 0.988 1008 E CA 1.279 57.679 56.400 0.000 0.000 0.804 1008 E CB -0.060 29.631 29.700 -0.015 0.000 0.745 1008 E HN 0.793 nan 8.360 nan 0.000 0.458 1009 E N 0.720 120.934 120.200 0.022 0.000 2.047 1009 E HA -0.178 4.173 4.350 0.002 0.000 0.191 1009 E C 1.796 178.427 176.600 0.051 0.000 0.987 1009 E CA 1.548 57.967 56.400 0.031 0.000 0.799 1009 E CB 0.056 29.768 29.700 0.020 0.000 0.752 1009 E HN 0.330 nan 8.360 nan 0.000 0.449 1010 E N -0.151 120.077 120.200 0.047 0.000 2.038 1010 E HA -0.228 4.124 4.350 0.002 0.000 0.195 1010 E C 2.089 178.755 176.600 0.111 0.000 1.000 1010 E CA 1.009 57.446 56.400 0.061 0.000 0.803 1010 E CB -0.268 29.451 29.700 0.032 0.000 0.750 1010 E HN 0.328 nan 8.360 nan 0.000 0.448 1011 A N 1.173 124.060 122.820 0.111 0.000 1.917 1011 A HA -0.208 4.113 4.320 0.002 0.000 0.219 1011 A C 2.163 179.942 177.584 0.325 0.000 1.182 1011 A CA 1.292 53.453 52.037 0.207 0.000 0.633 1011 A CB -0.534 18.562 19.000 0.161 0.000 0.819 1011 A HN 0.200 nan 8.150 nan 0.000 0.448 1012 L N -0.513 120.843 121.223 0.222 0.000 2.109 1012 L HA -0.042 4.299 4.340 0.002 0.000 0.207 1012 L C 2.261 179.230 176.870 0.164 0.000 1.086 1012 L CA 2.453 57.415 54.840 0.204 0.000 0.760 1012 L CB -0.540 41.582 42.059 0.104 0.000 0.910 1012 L HN 0.415 nan 8.230 nan 0.000 0.437 1013 K N -1.074 119.403 120.400 0.128 0.000 2.026 1013 K HA -0.272 4.049 4.320 0.002 0.000 0.208 1013 K C 2.256 178.915 176.600 0.097 0.000 1.048 1013 K CA 2.038 58.377 56.287 0.088 0.000 0.929 1013 K CB -0.551 31.995 32.500 0.076 0.000 0.713 1013 K HN 0.506 nan 8.250 nan 0.000 0.439 1014 H N -0.877 118.230 119.070 0.062 0.000 2.267 1014 H HA -0.151 4.406 4.556 0.002 0.000 0.297 1014 H C 1.739 177.076 175.328 0.015 0.000 1.080 1014 H CA 2.529 58.610 56.048 0.055 0.000 1.278 1014 H CB -0.645 29.179 29.762 0.104 0.000 1.365 1014 H HN 0.274 nan 8.280 nan 0.000 0.489 1015 F N 1.162 121.073 119.950 -0.065 0.000 2.154 1015 F HA -0.210 4.318 4.527 0.002 0.000 0.301 1015 F C 2.500 178.089 175.800 -0.353 0.000 1.087 1015 F CA 1.774 59.565 58.000 -0.349 0.000 1.274 1015 F CB -0.262 38.441 39.000 -0.495 0.000 1.009 1015 F HN 0.069 nan 8.300 nan 0.000 0.485 1016 R N -0.573 119.828 120.500 -0.164 0.000 2.081 1016 R HA -0.125 4.216 4.340 0.002 0.000 0.235 1016 R C 2.197 178.373 176.300 -0.207 0.000 1.131 1016 R CA 1.516 57.495 56.100 -0.201 0.000 0.960 1016 R CB -0.700 29.551 30.300 -0.081 0.000 0.856 1016 R HN 0.233 nan 8.270 nan 0.000 0.436 1017 V N 1.663 121.459 119.914 -0.197 0.000 2.295 1017 V HA -0.279 3.842 4.120 0.002 0.000 0.246 1017 V C 2.203 178.152 176.094 -0.242 0.000 1.049 1017 V CA 1.680 63.874 62.300 -0.176 0.000 1.024 1017 V CB -0.365 31.364 31.823 -0.156 0.000 0.648 1017 V HN 0.273 nan 8.190 nan 0.000 0.447 1018 K N -0.581 119.583 120.400 -0.393 0.000 2.032 1018 K HA -0.203 4.118 4.320 0.002 0.000 0.209 1018 K C 2.110 178.422 176.600 -0.479 0.000 1.048 1018 K CA 1.860 57.880 56.287 -0.444 0.000 0.927 1018 K CB -0.750 31.369 32.500 -0.635 0.000 0.712 1018 K HN 0.493 nan 8.250 nan 0.000 0.441 1019 F N 2.983 122.397 119.950 -0.893 0.000 2.102 1019 F HA -0.207 4.321 4.527 0.002 0.000 0.298 1019 F C 1.940 177.558 175.800 -0.303 0.000 1.105 1019 F CA 1.424 58.923 58.000 -0.834 0.000 1.239 1019 F CB -0.150 38.246 39.000 -1.008 0.000 0.991 1019 F HN 0.058 nan 8.300 nan 0.000 0.474 1020 N N 0.668 119.374 118.700 0.010 0.000 2.120 1020 N HA -0.175 4.566 4.740 0.002 0.000 0.188 1020 N C 1.743 177.228 175.510 -0.041 0.000 1.024 1020 N CA 1.659 54.733 53.050 0.041 0.000 0.852 1020 N CB -0.525 37.981 38.487 0.031 0.000 1.003 1020 N HN 0.490 nan 8.380 nan 0.000 0.424 1021 E N 0.576 120.724 120.200 -0.088 0.000 2.110 1021 E HA -0.082 4.269 4.350 0.002 0.000 0.193 1021 E C 1.876 178.436 176.600 -0.068 0.000 0.988 1021 E CA 0.969 57.324 56.400 -0.075 0.000 0.804 1021 E CB -0.064 29.584 29.700 -0.086 0.000 0.745 1021 E HN 0.354 nan 8.360 nan 0.000 0.458 1022 A N 1.208 123.971 122.820 -0.096 0.000 1.902 1022 A HA -0.166 4.155 4.320 0.002 0.000 0.217 1022 A C 2.149 179.702 177.584 -0.052 0.000 1.181 1022 A CA 0.956 52.961 52.037 -0.053 0.000 0.623 1022 A CB -0.477 18.538 19.000 0.025 0.000 0.818 1022 A HN 0.211 nan 8.150 nan 0.000 0.443 1023 L N 0.172 121.341 121.223 -0.090 0.000 2.046 1023 L HA -0.148 4.193 4.340 0.002 0.000 0.208 1023 L C 2.514 179.379 176.870 -0.008 0.000 1.077 1023 L CA 1.889 56.711 54.840 -0.031 0.000 0.747 1023 L CB -0.536 41.526 42.059 0.005 0.000 0.896 1023 L HN 0.368 nan 8.230 nan 0.000 0.432 1024 R N -0.674 119.818 120.500 -0.015 0.000 2.073 1024 R HA -0.201 4.140 4.340 0.002 0.000 0.234 1024 R C 2.177 178.470 176.300 -0.011 0.000 1.134 1024 R CA 1.457 57.551 56.100 -0.011 0.000 0.952 1024 R CB -0.575 29.714 30.300 -0.019 0.000 0.850 1024 R HN 0.331 nan 8.270 nan 0.000 0.433 1025 E N 1.548 121.734 120.200 -0.022 0.000 2.085 1025 E HA -0.093 4.258 4.350 0.002 0.000 0.194 1025 E C 0.281 176.866 176.600 -0.025 0.000 0.994 1025 E CA 0.726 57.104 56.400 -0.037 0.000 0.801 1025 E CB -0.172 29.505 29.700 -0.038 0.000 0.743 1025 E HN 0.051 nan 8.360 nan 0.000 0.453 1026 S N 0.389 116.106 115.700 0.027 0.000 2.737 1026 S HA -0.085 4.386 4.470 0.002 0.000 0.315 1026 S C -0.556 174.141 174.600 0.162 0.000 1.236 1026 S CA 0.008 58.277 58.200 0.114 0.000 1.093 1026 S CB -0.570 62.721 63.200 0.152 0.000 0.832 1026 S HN 0.290 nan 8.310 nan 0.000 0.507 1027 W N 0.000 121.245 121.300 -0.092 0.000 2.388 1027 W HA 0.000 4.661 4.660 0.002 0.000 0.303 1027 W CA 0.000 57.212 57.345 -0.222 0.000 1.226 1027 W CB 0.000 29.129 29.460 -0.552 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535