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 2wxp_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 0.004 0.000 1.184 110 K N 2.395 122.802 120.400 0.011 0.000 2.113 110 K HA -0.236 4.273 4.320 0.315 0.000 0.208 110 K C 1.754 178.367 176.600 0.021 0.000 1.047 110 K CA 2.769 59.066 56.287 0.016 0.000 0.928 110 K CB -0.326 32.184 32.500 0.017 0.000 0.716 110 K HN 0.439 nan 8.250 nan 0.000 0.446 111 K N 0.436 120.847 120.400 0.019 0.000 2.032 111 K HA -0.148 4.362 4.320 0.315 0.000 0.209 111 K C 2.042 178.653 176.600 0.019 0.000 1.048 111 K CA 1.652 57.951 56.287 0.020 0.000 0.927 111 K CB -0.608 31.901 32.500 0.015 0.000 0.712 111 K HN 0.256 nan 8.250 nan 0.000 0.441 112 L N 0.621 121.852 121.223 0.014 0.000 2.012 112 L HA -0.086 4.443 4.340 0.315 0.000 0.210 112 L C 2.107 178.985 176.870 0.015 0.000 1.073 112 L CA 1.654 56.501 54.840 0.012 0.000 0.748 112 L CB -0.355 41.709 42.059 0.008 0.000 0.891 112 L HN 0.330 nan 8.230 nan 0.000 0.431 113 I N 0.024 120.604 120.570 0.015 0.000 2.127 113 I HA -0.342 4.018 4.170 0.315 0.000 0.241 113 I C 2.263 178.397 176.117 0.028 0.000 1.075 113 I CA 1.487 62.797 61.300 0.017 0.000 1.334 113 I CB -0.661 37.348 38.000 0.016 0.000 1.040 113 I HN 0.378 nan 8.210 nan 0.000 0.405 114 N N 0.524 119.246 118.700 0.036 0.000 2.060 114 N HA -0.241 4.688 4.740 0.315 0.000 0.195 114 N C 2.084 177.622 175.510 0.048 0.000 1.028 114 N CA 2.134 55.214 53.050 0.051 0.000 0.861 114 N CB -0.659 37.860 38.487 0.054 0.000 1.029 114 N HN 0.493 nan 8.380 nan 0.000 0.428 115 S N 0.471 116.193 115.700 0.037 0.000 2.383 115 S HA -0.118 4.541 4.470 0.315 0.000 0.227 115 S C 1.831 176.449 174.600 0.030 0.000 1.026 115 S CA 0.891 59.112 58.200 0.034 0.000 0.981 115 S CB -0.324 62.891 63.200 0.024 0.000 0.818 115 S HN 0.354 nan 8.310 nan 0.000 0.472 116 Q N 0.672 120.486 119.800 0.023 0.000 2.079 116 Q HA 0.052 4.581 4.340 0.315 0.000 0.200 116 Q C 2.299 178.313 176.000 0.023 0.000 0.974 116 Q CA 1.649 57.462 55.803 0.016 0.000 0.840 116 Q CB -0.450 28.289 28.738 0.002 0.000 0.898 116 Q HN 0.634 nan 8.270 nan 0.000 0.430 117 I N 0.404 120.996 120.570 0.036 0.000 2.208 117 I HA -0.278 4.081 4.170 0.315 0.000 0.245 117 I C 2.218 178.377 176.117 0.070 0.000 1.097 117 I CA 0.934 62.270 61.300 0.061 0.000 1.363 117 I CB -0.286 37.764 38.000 0.084 0.000 1.051 117 I HN 0.098 nan 8.210 nan 0.000 0.413 118 S N 0.880 116.611 115.700 0.053 0.000 2.368 118 S HA -0.160 4.499 4.470 0.315 0.000 0.225 118 S C 1.935 176.557 174.600 0.035 0.000 1.030 118 S CA 1.180 59.399 58.200 0.031 0.000 0.999 118 S CB -0.382 62.833 63.200 0.026 0.000 0.844 118 S HN 0.287 nan 8.310 nan 0.000 0.459 119 L N 1.311 122.558 121.223 0.040 0.000 2.046 119 L HA 0.011 4.541 4.340 0.315 0.000 0.208 119 L C 2.077 178.983 176.870 0.060 0.000 1.077 119 L CA 1.315 56.181 54.840 0.043 0.000 0.747 119 L CB -0.555 41.525 42.059 0.034 0.000 0.896 119 L HN 0.258 nan 8.230 nan 0.000 0.432 120 L N -0.063 121.197 121.223 0.062 0.000 2.056 120 L HA -0.135 4.394 4.340 0.315 0.000 0.207 120 L C 2.211 179.173 176.870 0.155 0.000 1.078 120 L CA 2.130 57.022 54.840 0.087 0.000 0.749 120 L CB -0.594 41.485 42.059 0.034 0.000 0.901 120 L HN 0.481 nan 8.230 nan 0.000 0.433 121 I N -3.585 117.065 120.570 0.133 0.000 3.428 121 I HA 0.313 4.672 4.170 0.315 0.000 0.286 121 I C 1.410 177.568 176.117 0.070 0.000 1.287 121 I CA 0.593 61.958 61.300 0.109 0.000 1.396 121 I CB -0.787 37.297 38.000 0.140 0.000 1.062 121 I HN 0.342 nan 8.210 nan 0.000 0.471 122 G N 1.896 110.736 108.800 0.067 0.000 2.198 122 G HA2 -0.317 3.832 3.960 0.315 0.000 0.260 122 G HA3 -0.317 3.832 3.960 0.315 0.000 0.260 122 G C 0.030 174.940 174.900 0.017 0.000 1.025 122 G CA 0.556 45.688 45.100 0.054 0.000 0.769 122 G HN 0.647 nan 8.290 nan 0.000 0.507 123 K N -0.481 119.907 120.400 -0.020 0.000 2.561 123 K HA 0.528 5.037 4.320 0.315 0.000 0.254 123 K C 0.426 176.897 176.600 -0.215 0.000 0.942 123 K CA -0.276 55.937 56.287 -0.123 0.000 0.818 123 K CB 1.195 33.614 32.500 -0.135 0.000 1.306 123 K HN 0.526 nan 8.250 nan 0.000 0.435 124 G N 3.651 112.270 108.800 -0.302 0.000 2.378 124 G HA2 0.158 4.307 3.960 0.315 0.000 0.255 124 G HA3 0.158 4.307 3.960 0.315 0.000 0.255 124 G C 0.985 175.516 174.900 -0.616 0.000 1.270 124 G CA -0.405 44.491 45.100 -0.341 0.000 0.876 124 G HN 0.656 nan 8.290 nan 0.000 0.521 125 L N 1.688 122.719 121.223 -0.319 0.000 2.187 125 L HA -0.162 4.368 4.340 0.315 0.000 0.213 125 L C 2.686 179.407 176.870 -0.249 0.000 1.100 125 L CA 1.713 56.379 54.840 -0.289 0.000 0.765 125 L CB -0.526 41.550 42.059 0.029 0.000 0.904 125 L HN 0.940 nan 8.230 nan 0.000 0.437 126 H N -1.108 117.878 119.070 -0.139 0.000 2.421 126 H HA -0.139 4.606 4.556 0.315 0.000 0.298 126 H C 1.807 177.078 175.328 -0.096 0.000 1.087 126 H CA 1.136 57.140 56.048 -0.073 0.000 1.330 126 H CB -0.438 29.292 29.762 -0.053 0.000 1.388 126 H HN 0.353 nan 8.280 nan 0.000 0.526 127 E N 0.199 119.987 120.200 -0.686 0.000 2.204 127 E HA -0.126 4.413 4.350 0.315 0.000 0.195 127 E C 1.172 177.649 176.600 -0.204 0.000 0.990 127 E CA 0.916 57.036 56.400 -0.467 0.000 0.821 127 E CB -0.129 29.207 29.700 -0.606 0.000 0.750 127 E HN 0.482 nan 8.360 nan 0.000 0.477 128 F N 1.639 121.544 119.950 -0.076 0.000 2.163 128 F HA -0.117 4.600 4.527 0.316 0.000 0.297 128 F C 2.028 177.830 175.800 0.003 0.000 1.094 128 F CA 0.662 58.647 58.000 -0.024 0.000 1.290 128 F CB -0.699 38.303 39.000 0.004 0.000 1.017 128 F HN -0.056 nan 8.300 nan 0.000 0.483 129 D N -0.128 120.381 120.400 0.183 0.000 2.104 129 D HA -0.151 4.678 4.640 0.315 0.000 0.194 129 D C 2.288 178.644 176.300 0.093 0.000 0.994 129 D CA 1.697 55.774 54.000 0.129 0.000 0.830 129 D CB -0.390 40.479 40.800 0.114 0.000 0.959 129 D HN 0.164 nan 8.370 nan 0.000 0.452 130 S N 0.590 116.333 115.700 0.073 0.000 2.440 130 S HA -0.119 4.540 4.470 0.315 0.000 0.240 130 S C 2.129 176.757 174.600 0.046 0.000 1.014 130 S CA 0.476 58.708 58.200 0.054 0.000 0.980 130 S CB -0.182 63.042 63.200 0.040 0.000 0.775 130 S HN 0.273 nan 8.310 nan 0.000 0.499 131 L N 0.658 121.916 121.223 0.059 0.000 2.291 131 L HA 0.089 4.618 4.340 0.315 0.000 0.214 131 L C 0.720 177.621 176.870 0.051 0.000 1.120 131 L CA 0.297 55.167 54.840 0.051 0.000 0.799 131 L CB -0.375 41.722 42.059 0.064 0.000 0.925 131 L HN 0.176 nan 8.230 nan 0.000 0.446 132 R N 0.541 121.078 120.500 0.061 0.000 3.405 132 R HA -0.199 4.330 4.340 0.315 0.000 0.258 132 R C -0.404 175.930 176.300 0.057 0.000 1.030 132 R CA 0.573 56.709 56.100 0.059 0.000 0.691 132 R CB -2.372 27.960 30.300 0.052 0.000 1.093 132 R HN 0.316 nan 8.270 nan 0.000 0.448 133 D N 0.116 120.548 120.400 0.052 0.000 2.329 133 D HA 0.287 5.116 4.640 0.315 0.000 0.232 133 D C -1.318 175.001 176.300 0.032 0.000 1.088 133 D CA -2.564 51.457 54.000 0.035 0.000 0.835 133 D CB 1.444 42.249 40.800 0.008 0.000 1.078 133 D HN -0.121 nan 8.370 nan 0.000 0.495 134 P HA -0.177 nan 4.420 nan 0.000 0.215 134 P C 1.131 178.442 177.300 0.017 0.000 1.157 134 P CA 1.027 64.193 63.100 0.111 0.000 0.874 134 P CB 0.369 32.205 31.700 0.228 0.000 0.790 135 E N -0.484 119.563 120.200 -0.256 0.000 2.077 135 E HA -0.138 4.402 4.350 0.315 0.000 0.193 135 E C 1.875 178.346 176.600 -0.216 0.000 0.989 135 E CA 1.137 57.152 56.400 -0.641 0.000 0.800 135 E CB -0.274 28.895 29.700 -0.885 0.000 0.746 135 E HN -0.051 nan 8.360 nan 0.000 0.452 136 V N 1.695 121.533 119.914 -0.128 0.000 2.295 136 V HA -0.274 4.035 4.120 0.315 0.000 0.246 136 V C 2.016 178.131 176.094 0.035 0.000 1.049 136 V CA 1.963 64.222 62.300 -0.067 0.000 1.024 136 V CB -0.722 31.061 31.823 -0.066 0.000 0.648 136 V HN 0.272 nan 8.190 nan 0.000 0.447 137 N N 0.549 119.276 118.700 0.045 0.000 2.036 137 N HA -0.182 4.748 4.740 0.315 0.000 0.195 137 N C 1.552 177.119 175.510 0.095 0.000 1.037 137 N CA 1.890 54.987 53.050 0.078 0.000 0.855 137 N CB -0.525 38.011 38.487 0.082 0.000 1.033 137 N HN 0.486 nan 8.380 nan 0.000 0.423 138 D N -0.236 120.229 120.400 0.109 0.000 2.084 138 D HA -0.137 4.692 4.640 0.315 0.000 0.194 138 D C 1.796 178.169 176.300 0.121 0.000 0.990 138 D CA 0.570 54.650 54.000 0.134 0.000 0.826 138 D CB -0.644 40.294 40.800 0.229 0.000 0.971 138 D HN 0.221 nan 8.370 nan 0.000 0.453 139 F N 2.005 121.945 119.950 -0.016 0.000 2.091 139 F HA -0.241 4.475 4.527 0.315 0.000 0.299 139 F C 2.394 178.181 175.800 -0.021 0.000 1.103 139 F CA 1.705 59.688 58.000 -0.029 0.000 1.228 139 F CB 0.028 38.983 39.000 -0.075 0.000 0.984 139 F HN -0.185 nan 8.300 nan 0.000 0.477 140 R N -0.491 120.112 120.500 0.170 0.000 2.096 140 R HA -0.138 4.392 4.340 0.315 0.000 0.235 140 R C 2.179 178.473 176.300 -0.010 0.000 1.127 140 R CA 2.070 58.216 56.100 0.077 0.000 0.968 140 R CB -0.901 29.462 30.300 0.105 0.000 0.861 140 R HN 0.483 nan 8.270 nan 0.000 0.440 141 T N -0.968 113.591 114.554 0.009 0.000 2.894 141 T HA -0.009 4.530 4.350 0.315 0.000 0.258 141 T C 1.813 176.502 174.700 -0.019 0.000 1.043 141 T CA 0.653 62.758 62.100 0.009 0.000 1.141 141 T CB -0.044 68.845 68.868 0.035 0.000 0.873 141 T HN 0.009 nan 8.240 nan 0.000 0.449 142 K N 0.743 121.116 120.400 -0.044 0.000 2.009 142 K HA 0.015 4.524 4.320 0.315 0.000 0.210 142 K C 2.373 178.919 176.600 -0.090 0.000 1.049 142 K CA 1.499 57.750 56.287 -0.060 0.000 0.929 142 K CB -0.354 32.094 32.500 -0.086 0.000 0.714 142 K HN 0.166 nan 8.250 nan 0.000 0.440 143 M N 0.072 119.525 119.600 -0.246 0.000 2.175 143 M HA -0.070 4.599 4.480 0.315 0.000 0.264 143 M C 2.176 178.449 176.300 -0.046 0.000 1.063 143 M CA 1.371 56.525 55.300 -0.244 0.000 1.119 143 M CB -0.821 31.373 32.600 -0.677 0.000 1.377 143 M HN 0.195 nan 8.290 nan 0.000 0.415 144 R N 0.331 120.800 120.500 -0.052 0.000 2.083 144 R HA -0.226 4.303 4.340 0.315 0.000 0.237 144 R C 2.242 178.550 176.300 0.013 0.000 1.137 144 R CA 2.031 58.130 56.100 -0.002 0.000 0.951 144 R CB -0.207 30.097 30.300 0.007 0.000 0.851 144 R HN 0.418 nan 8.270 nan 0.000 0.434 145 Q N -0.635 119.180 119.800 0.024 0.000 2.061 145 Q HA -0.225 4.305 4.340 0.315 0.000 0.204 145 Q C 1.871 177.902 176.000 0.052 0.000 0.984 145 Q CA 2.170 57.993 55.803 0.032 0.000 0.846 145 Q CB -0.256 28.505 28.738 0.039 0.000 0.902 145 Q HN 0.401 nan 8.270 nan 0.000 0.421 146 F N -0.240 119.674 119.950 -0.059 0.000 2.216 146 F HA -0.247 4.469 4.527 0.315 0.000 0.300 146 F C 1.889 177.661 175.800 -0.047 0.000 1.085 146 F CA 1.238 59.206 58.000 -0.053 0.000 1.326 146 F CB -0.286 38.675 39.000 -0.065 0.000 1.027 146 F HN 0.197 nan 8.300 nan 0.000 0.497 147 C N 0.175 119.439 119.300 -0.060 0.000 2.505 147 C HA -0.054 4.595 4.460 0.315 0.000 0.279 147 C C 2.596 177.487 174.990 -0.165 0.000 1.316 147 C CA 0.812 59.746 59.018 -0.140 0.000 1.720 147 C CB -0.975 26.758 27.740 -0.012 0.000 2.050 147 C HN 0.490 nan 8.230 nan 0.000 0.493 148 E N 0.921 121.058 120.200 -0.105 0.000 2.118 148 E HA -0.229 4.310 4.350 0.315 0.000 0.195 148 E C 1.939 178.471 176.600 -0.113 0.000 0.992 148 E CA 1.342 57.686 56.400 -0.093 0.000 0.804 148 E CB -0.111 29.557 29.700 -0.052 0.000 0.741 148 E HN 0.685 nan 8.360 nan 0.000 0.458 149 E N 0.338 120.450 120.200 -0.146 0.000 2.107 149 E HA -0.128 4.412 4.350 0.315 0.000 0.191 149 E C 2.036 178.532 176.600 -0.173 0.000 0.982 149 E CA 0.810 57.124 56.400 -0.142 0.000 0.809 149 E CB -0.073 29.539 29.700 -0.147 0.000 0.756 149 E HN 0.225 nan 8.360 nan 0.000 0.459 150 A N 1.471 124.117 122.820 -0.290 0.000 1.972 150 A HA -0.097 4.412 4.320 0.315 0.000 0.219 150 A C 2.361 179.860 177.584 -0.142 0.000 1.169 150 A CA 1.616 53.497 52.037 -0.259 0.000 0.635 150 A CB -0.542 18.238 19.000 -0.365 0.000 0.810 150 A HN 0.288 nan 8.150 nan 0.000 0.446 151 A N -0.364 122.369 122.820 -0.146 0.000 1.968 151 A HA 0.294 4.804 4.320 0.315 0.000 0.217 151 A C 2.436 179.965 177.584 -0.093 0.000 1.169 151 A CA 1.622 53.584 52.037 -0.125 0.000 0.638 151 A CB -0.806 18.123 19.000 -0.117 0.000 0.812 151 A HN 0.938 nan 8.150 nan 0.000 0.446 152 A N -0.618 122.158 122.820 -0.073 0.000 1.877 152 A HA -0.182 4.327 4.320 0.315 0.000 0.216 152 A C 1.995 179.553 177.584 -0.043 0.000 1.186 152 A CA 2.051 54.055 52.037 -0.056 0.000 0.620 152 A CB -0.934 18.040 19.000 -0.044 0.000 0.822 152 A HN 0.754 nan 8.150 nan 0.000 0.443 153 H N -0.400 118.599 119.070 -0.118 0.000 2.352 153 H HA -0.129 4.616 4.556 0.315 0.000 0.299 153 H C 2.192 177.456 175.328 -0.107 0.000 1.097 153 H CA 2.127 58.111 56.048 -0.106 0.000 1.311 153 H CB -0.115 29.576 29.762 -0.118 0.000 1.377 153 H HN 0.449 nan 8.280 nan 0.000 0.504 154 R N -0.324 120.123 120.500 -0.089 0.000 2.115 154 R HA -0.095 4.434 4.340 0.315 0.000 0.230 154 R C 1.704 177.932 176.300 -0.120 0.000 1.111 154 R CA 1.293 57.302 56.100 -0.151 0.000 0.976 154 R CB 0.146 30.302 30.300 -0.238 0.000 0.870 154 R HN 0.345 nan 8.270 nan 0.000 0.445 155 Q N 0.243 119.964 119.800 -0.131 0.000 2.472 155 Q HA -0.115 4.414 4.340 0.315 0.000 0.208 155 Q C 0.854 176.761 176.000 -0.154 0.000 0.958 155 Q CA 1.065 56.782 55.803 -0.144 0.000 0.932 155 Q CB 0.520 29.181 28.738 -0.128 0.000 1.007 155 Q HN 0.687 nan 8.270 nan 0.000 0.508 156 Q N -1.197 118.502 119.800 -0.169 0.000 2.171 156 Q HA 0.262 4.792 4.340 0.315 0.000 0.218 156 Q C 0.070 175.960 176.000 -0.182 0.000 0.822 156 Q CA -0.209 55.494 55.803 -0.166 0.000 0.987 156 Q CB 0.178 28.819 28.738 -0.162 0.000 1.144 156 Q HN 0.127 nan 8.270 nan 0.000 0.494 157 L N 2.141 123.257 121.223 -0.178 0.000 2.506 157 L HA 0.148 4.677 4.340 0.315 0.000 0.281 157 L C 1.046 177.883 176.870 -0.056 0.000 1.228 157 L CA 0.261 55.027 54.840 -0.124 0.000 0.850 157 L CB 0.203 42.245 42.059 -0.029 0.000 1.110 157 L HN 0.284 nan 8.230 nan 0.000 0.496 158 G N 1.719 110.477 108.800 -0.070 0.000 2.664 158 G HA2 -0.083 4.066 3.960 0.315 0.000 0.242 158 G HA3 -0.083 4.066 3.960 0.315 0.000 0.242 158 G C 0.773 175.657 174.900 -0.027 0.000 1.225 158 G CA -0.218 44.840 45.100 -0.070 0.000 0.849 158 G HN 1.033 nan 8.290 nan 0.000 0.581 159 W N 0.729 121.997 121.300 -0.054 0.000 2.363 159 W HA -0.111 4.738 4.660 0.315 0.000 0.296 159 W C 1.316 177.817 176.519 -0.031 0.000 1.212 159 W CA 1.157 58.478 57.345 -0.040 0.000 1.260 159 W CB -1.205 28.187 29.460 -0.114 0.000 1.131 159 W HN 0.210 nan 8.180 nan 0.000 0.530 160 V N 2.029 121.385 119.914 -0.931 0.000 2.407 160 V HA -0.288 4.021 4.120 0.315 0.000 0.248 160 V C 2.488 178.373 176.094 -0.350 0.000 1.055 160 V CA 2.454 64.278 62.300 -0.794 0.000 1.049 160 V CB -0.902 30.358 31.823 -0.938 0.000 0.662 160 V HN 0.137 nan 8.190 nan 0.000 0.455 161 E N -0.697 119.370 120.200 -0.221 0.000 2.106 161 E HA -0.236 4.303 4.350 0.315 0.000 0.192 161 E C 2.002 178.599 176.600 -0.005 0.000 0.984 161 E CA 1.442 57.792 56.400 -0.084 0.000 0.806 161 E CB -0.226 29.436 29.700 -0.063 0.000 0.750 161 E HN 0.805 nan 8.360 nan 0.000 0.458 162 W N 1.663 122.896 121.300 -0.112 0.000 2.358 162 W HA -0.181 4.667 4.660 0.315 0.000 0.303 162 W C 1.541 178.027 176.519 -0.055 0.000 1.208 162 W CA 1.048 58.354 57.345 -0.064 0.000 1.274 162 W CB -0.341 29.079 29.460 -0.066 0.000 1.138 162 W HN 0.073 nan 8.180 nan 0.000 0.515 163 L N 0.906 122.086 121.223 -0.072 0.000 2.012 163 L HA -0.299 4.230 4.340 0.315 0.000 0.210 163 L C 2.867 179.617 176.870 -0.199 0.000 1.073 163 L CA 1.857 56.587 54.840 -0.184 0.000 0.748 163 L CB -0.996 40.861 42.059 -0.335 0.000 0.891 163 L HN 0.033 nan 8.230 nan 0.000 0.431 164 Q N -1.291 118.437 119.800 -0.120 0.000 2.152 164 Q HA -0.283 4.246 4.340 0.315 0.000 0.206 164 Q C 2.021 177.948 176.000 -0.121 0.000 0.985 164 Q CA 2.196 58.006 55.803 0.011 0.000 0.863 164 Q CB -0.251 28.515 28.738 0.046 0.000 0.904 164 Q HN 0.561 nan 8.270 nan 0.000 0.422 165 Y N -0.378 119.697 120.300 -0.375 0.000 2.243 165 Y HA -0.109 4.630 4.550 0.315 0.000 0.293 165 Y C 2.434 177.940 175.900 -0.656 0.000 1.124 165 Y CA 1.570 59.390 58.100 -0.467 0.000 1.159 165 Y CB -0.269 37.858 38.460 -0.555 0.000 1.008 165 Y HN -0.020 nan 8.280 nan 0.000 0.527 166 S N -0.771 114.190 115.700 -1.232 0.000 2.412 166 S HA 0.120 4.779 4.470 0.315 0.000 0.223 166 S C -0.076 173.682 174.600 -1.405 0.000 1.048 166 S CA 0.169 57.348 58.200 -1.702 0.000 0.954 166 S CB -0.364 61.551 63.200 -2.141 0.000 0.840 166 S HN 0.253 nan 8.310 nan 0.000 0.503 167 F N 2.837 122.557 119.950 -0.383 0.000 2.550 167 F HA 0.541 5.257 4.527 0.315 0.000 0.348 167 F C -2.772 173.010 175.800 -0.031 0.000 1.219 167 F CA -2.832 55.079 58.000 -0.149 0.000 1.203 167 F CB 0.709 39.704 39.000 -0.009 0.000 1.436 167 F HN -0.002 nan 8.300 nan 0.000 0.541 168 P HA 0.119 nan 4.420 nan 0.000 0.272 168 P C 0.086 177.411 177.300 0.042 0.000 1.223 168 P CA -0.267 62.846 63.100 0.022 0.000 0.784 168 P CB 1.130 32.777 31.700 -0.088 0.000 0.923 169 L N 2.141 123.363 121.223 -0.003 0.000 2.485 169 L HA 0.033 4.562 4.340 0.315 0.000 0.275 169 L C 1.078 177.905 176.870 -0.071 0.000 1.207 169 L CA 0.476 55.269 54.840 -0.077 0.000 0.855 169 L CB -0.201 41.716 42.059 -0.236 0.000 1.114 169 L HN 0.292 nan 8.230 nan 0.000 0.485 170 Q N 5.085 124.881 119.800 -0.006 0.000 2.506 170 Q HA 0.455 4.984 4.340 0.315 0.000 0.242 170 Q C -1.088 174.899 176.000 -0.022 0.000 1.060 170 Q CA -0.221 55.580 55.803 -0.004 0.000 0.826 170 Q CB 1.281 30.049 28.738 0.050 0.000 1.169 170 Q HN 0.518 nan 8.270 nan 0.000 0.521 171 L N 1.220 122.357 121.223 -0.142 0.000 2.331 171 L HA 0.387 4.916 4.340 0.315 0.000 0.275 171 L C 0.596 177.376 176.870 -0.149 0.000 1.022 171 L CA -1.067 53.627 54.840 -0.243 0.000 0.812 171 L CB 1.336 43.146 42.059 -0.415 0.000 1.257 171 L HN 0.363 nan 8.230 nan 0.000 0.435 172 E N 1.904 122.020 120.200 -0.141 0.000 2.415 172 E HA 0.161 4.701 4.350 0.315 0.000 0.262 172 E C -1.940 174.579 176.600 -0.136 0.000 1.038 172 E CA -1.139 55.199 56.400 -0.103 0.000 0.921 172 E CB 0.220 29.867 29.700 -0.089 0.000 0.950 172 E HN 0.342 nan 8.360 nan 0.000 0.438 188 R N 1.331 121.835 120.500 0.008 0.000 2.599 188 R HA 0.736 5.265 4.340 0.315 0.000 0.295 188 R C -1.118 175.187 176.300 0.008 0.000 0.963 188 R CA -0.378 55.726 56.100 0.006 0.000 0.883 188 R CB 1.659 31.959 30.300 0.000 0.000 1.171 188 R HN 0.352 nan 8.270 nan 0.000 0.450 189 A N 5.022 127.849 122.820 0.010 0.000 2.363 189 A HA 0.494 5.003 4.320 0.315 0.000 0.270 189 A C -0.233 177.360 177.584 0.015 0.000 1.121 189 A CA -0.477 51.569 52.037 0.016 0.000 0.800 189 A CB 0.222 19.233 19.000 0.019 0.000 1.052 189 A HN 0.658 nan 8.150 nan 0.000 0.493 190 L N 0.721 121.957 121.223 0.021 0.000 2.409 190 L HA 0.829 5.358 4.340 0.315 0.000 0.262 190 L C -1.192 175.701 176.870 0.040 0.000 0.992 190 L CA -0.921 53.932 54.840 0.022 0.000 0.817 190 L CB 1.625 43.690 42.059 0.010 0.000 1.350 190 L HN 0.509 nan 8.230 nan 0.000 0.411 191 L N 3.228 124.475 121.223 0.040 0.000 2.326 191 L HA 0.707 5.236 4.340 0.315 0.000 0.278 191 L C -0.501 176.404 176.870 0.057 0.000 1.092 191 L CA -0.582 54.290 54.840 0.053 0.000 0.810 191 L CB 1.721 43.804 42.059 0.040 0.000 1.153 191 L HN 0.470 nan 8.230 nan 0.000 0.439 192 V N 2.558 122.517 119.914 0.076 0.000 2.841 192 V HA 0.357 4.666 4.120 0.315 0.000 0.310 192 V C -0.492 175.614 176.094 0.019 0.000 1.090 192 V CA -0.853 61.486 62.300 0.065 0.000 0.930 192 V CB 2.156 34.038 31.823 0.099 0.000 1.014 192 V HN 0.780 nan 8.190 nan 0.000 0.425 193 N N 2.138 120.755 118.700 -0.138 0.000 2.400 193 N HA 0.681 5.610 4.740 0.315 0.000 0.288 193 N C -1.608 173.824 175.510 -0.129 0.000 1.024 193 N CA -0.146 52.750 53.050 -0.256 0.000 0.894 193 N CB 2.037 40.101 38.487 -0.704 0.000 1.173 193 N HN 0.442 nan 8.380 nan 0.000 0.487 194 V N 2.904 122.814 119.914 -0.007 0.000 2.789 194 V HA 0.518 4.827 4.120 0.315 0.000 0.311 194 V C -0.579 175.537 176.094 0.036 0.000 1.073 194 V CA -0.769 61.563 62.300 0.055 0.000 0.921 194 V CB 2.091 34.039 31.823 0.208 0.000 1.009 194 V HN 0.767 nan 8.190 nan 0.000 0.426 195 K N 2.227 122.598 120.400 -0.048 0.000 2.533 195 K HA 0.732 5.241 4.320 0.315 0.000 0.272 195 K C -1.714 174.833 176.600 -0.089 0.000 0.985 195 K CA -0.810 55.473 56.287 -0.006 0.000 0.876 195 K CB 2.196 34.683 32.500 -0.023 0.000 1.452 195 K HN 0.308 nan 8.250 nan 0.000 0.439 196 F N 0.922 120.910 119.950 0.063 0.000 2.440 196 F HA 0.239 4.955 4.527 0.315 0.000 0.328 196 F C 1.998 177.839 175.800 0.068 0.000 1.070 196 F CA -0.539 57.513 58.000 0.086 0.000 1.011 196 F CB 1.798 40.859 39.000 0.101 0.000 1.226 196 F HN 0.892 nan 8.300 nan 0.000 0.491 197 E N 1.599 121.952 120.200 0.254 0.000 2.033 197 E HA -0.157 4.383 4.350 0.315 0.000 0.199 197 E C 1.409 178.084 176.600 0.124 0.000 1.011 197 E CA 1.417 57.907 56.400 0.150 0.000 0.815 197 E CB -0.283 29.503 29.700 0.143 0.000 0.755 197 E HN 0.780 nan 8.360 nan 0.000 0.451 198 G N 0.269 109.150 108.800 0.135 0.000 3.943 198 G HA2 0.273 4.422 3.960 0.315 0.000 0.275 198 G HA3 0.273 4.422 3.960 0.315 0.000 0.275 198 G C -0.787 174.172 174.900 0.098 0.000 1.234 198 G CA 0.058 45.215 45.100 0.095 0.000 1.522 198 G HN 0.114 nan 8.290 nan 0.000 0.636 199 S N -0.731 115.029 115.700 0.100 0.000 2.535 199 S HA 0.334 4.993 4.470 0.315 0.000 0.272 199 S C 0.371 174.999 174.600 0.046 0.000 1.149 199 S CA -0.491 57.760 58.200 0.085 0.000 0.888 199 S CB 1.776 65.055 63.200 0.132 0.000 1.110 199 S HN 0.167 nan 8.310 nan 0.000 0.463 200 E N 1.893 122.103 120.200 0.016 0.000 2.072 200 E HA 0.089 4.628 4.350 0.315 0.000 0.190 200 E C 0.046 176.614 176.600 -0.054 0.000 0.982 200 E CA 0.986 57.379 56.400 -0.012 0.000 0.803 200 E CB 0.098 29.789 29.700 -0.014 0.000 0.755 200 E HN 0.731 nan 8.360 nan 0.000 0.453 201 E N 0.012 120.163 120.200 -0.081 0.000 2.404 201 E HA 0.245 4.784 4.350 0.315 0.000 0.261 201 E C -0.397 175.996 176.600 -0.345 0.000 1.074 201 E CA 0.093 56.376 56.400 -0.195 0.000 0.917 201 E CB 1.061 30.653 29.700 -0.180 0.000 0.965 201 E HN 0.098 nan 8.360 nan 0.000 0.433 202 S N 0.875 116.234 115.700 -0.568 0.000 2.565 202 S HA 0.630 5.289 4.470 0.315 0.000 0.269 202 S C -1.481 172.642 174.600 -0.794 0.000 1.153 202 S CA -1.040 56.771 58.200 -0.649 0.000 0.835 202 S CB 0.656 63.688 63.200 -0.279 0.000 1.122 202 S HN 0.299 nan 8.310 nan 0.000 0.462 203 F N 0.696 120.556 119.950 -0.150 0.000 2.518 203 F HA 0.569 5.285 4.527 0.316 0.000 0.323 203 F C 0.454 175.950 175.800 -0.507 0.000 1.129 203 F CA -0.605 57.166 58.000 -0.382 0.000 0.920 203 F CB 2.231 40.892 39.000 -0.564 0.000 1.160 203 F HN 0.560 nan 8.300 nan 0.000 0.440 204 T N 3.803 118.181 114.554 -0.294 0.000 2.806 204 T HA 0.553 5.092 4.350 0.315 0.000 0.290 204 T C -0.858 173.631 174.700 -0.352 0.000 0.966 204 T CA -0.141 61.811 62.100 -0.247 0.000 1.060 204 T CB 0.211 69.005 68.868 -0.123 0.000 0.927 204 T HN 0.198 nan 8.240 nan 0.000 0.485 205 F N 1.465 121.434 119.950 0.032 0.000 2.546 205 F HA 0.436 5.152 4.527 0.315 0.000 0.320 205 F C 0.440 176.246 175.800 0.010 0.000 1.076 205 F CA -1.131 56.882 58.000 0.022 0.000 0.928 205 F CB 1.968 40.975 39.000 0.012 0.000 1.189 205 F HN 0.374 nan 8.300 nan 0.000 0.465 206 Q N 2.871 122.806 119.800 0.225 0.000 2.274 206 Q HA 0.678 5.207 4.340 0.315 0.000 0.256 206 Q C -1.154 174.909 176.000 0.104 0.000 0.927 206 Q CA -0.550 55.329 55.803 0.127 0.000 0.939 206 Q CB 1.429 30.218 28.738 0.085 0.000 1.201 206 Q HN 0.672 nan 8.270 nan 0.000 0.426 207 V N -0.256 119.699 119.914 0.068 0.000 3.156 207 V HA 0.688 4.997 4.120 0.315 0.000 0.310 207 V C -0.638 175.470 176.094 0.023 0.000 1.234 207 V CA -1.074 61.245 62.300 0.031 0.000 1.065 207 V CB 1.638 33.468 31.823 0.012 0.000 1.088 207 V HN 0.664 nan 8.190 nan 0.000 0.451 208 S N -0.076 115.632 115.700 0.012 0.000 2.541 208 S HA 0.385 5.045 4.470 0.315 0.000 0.283 208 S C 1.399 176.006 174.600 0.013 0.000 1.196 208 S CA 0.268 58.474 58.200 0.010 0.000 1.062 208 S CB 1.323 64.525 63.200 0.005 0.000 1.009 208 S HN 1.518 nan 8.310 nan 0.000 0.502 209 T N 1.981 116.543 114.554 0.013 0.000 2.869 209 T HA -0.197 4.342 4.350 0.315 0.000 0.270 209 T C 1.376 176.080 174.700 0.007 0.000 1.082 209 T CA 1.643 63.753 62.100 0.018 0.000 1.123 209 T CB -0.495 68.381 68.868 0.014 0.000 0.856 209 T HN 0.815 nan 8.240 nan 0.000 0.499 210 K N 0.682 121.079 120.400 -0.005 0.000 2.400 210 K HA 0.086 4.595 4.320 0.315 0.000 0.194 210 K C -0.214 176.371 176.600 -0.026 0.000 1.033 210 K CA 0.045 56.315 56.287 -0.029 0.000 1.021 210 K CB 0.046 32.534 32.500 -0.020 0.000 0.808 210 K HN 0.215 nan 8.250 nan 0.000 0.505 211 D N 2.183 122.580 120.400 -0.005 0.000 2.414 211 D HA 0.052 4.881 4.640 0.315 0.000 0.242 211 D C 0.496 176.812 176.300 0.027 0.000 1.129 211 D CA 0.299 54.299 54.000 0.001 0.000 0.885 211 D CB 0.671 41.468 40.800 -0.006 0.000 1.198 211 D HN 0.037 nan 8.370 nan 0.000 0.437 212 M N 2.495 122.111 119.600 0.028 0.000 2.240 212 M HA 0.113 4.782 4.480 0.315 0.000 0.333 212 M C -1.370 174.980 176.300 0.084 0.000 1.110 212 M CA -1.805 53.540 55.300 0.075 0.000 1.173 212 M CB -0.082 32.547 32.600 0.047 0.000 1.458 212 M HN 0.011 nan 8.290 nan 0.000 0.458 213 P HA -0.135 nan 4.420 nan 0.000 0.218 213 P C 1.607 178.934 177.300 0.045 0.000 1.146 213 P CA 0.922 64.063 63.100 0.069 0.000 0.813 213 P CB 0.030 31.782 31.700 0.087 0.000 0.778 214 L N -0.456 120.805 121.223 0.063 0.000 2.056 214 L HA -0.083 4.447 4.340 0.315 0.000 0.207 214 L C 2.311 179.177 176.870 -0.007 0.000 1.078 214 L CA 1.871 56.739 54.840 0.047 0.000 0.749 214 L CB -1.324 40.771 42.059 0.059 0.000 0.901 214 L HN -0.110 nan 8.230 nan 0.000 0.433 215 A N -0.477 122.330 122.820 -0.021 0.000 1.917 215 A HA -0.260 4.249 4.320 0.315 0.000 0.219 215 A C 2.351 179.860 177.584 -0.124 0.000 1.182 215 A CA 2.250 54.251 52.037 -0.059 0.000 0.633 215 A CB -1.060 17.913 19.000 -0.046 0.000 0.819 215 A HN 0.551 nan 8.150 nan 0.000 0.448 216 L N -1.190 119.960 121.223 -0.121 0.000 2.056 216 L HA -0.131 4.398 4.340 0.315 0.000 0.207 216 L C 2.612 179.331 176.870 -0.251 0.000 1.078 216 L CA 1.595 56.314 54.840 -0.202 0.000 0.749 216 L CB -0.218 41.772 42.059 -0.116 0.000 0.901 216 L HN 0.423 nan 8.230 nan 0.000 0.433 217 M N -0.644 118.866 119.600 -0.150 0.000 2.213 217 M HA -0.184 4.485 4.480 0.315 0.000 0.263 217 M C 2.311 178.508 176.300 -0.172 0.000 1.062 217 M CA 1.589 56.794 55.300 -0.158 0.000 1.105 217 M CB -0.469 32.091 32.600 -0.066 0.000 1.385 217 M HN 0.467 nan 8.290 nan 0.000 0.417 218 A N -0.382 122.350 122.820 -0.146 0.000 1.930 218 A HA -0.148 4.361 4.320 0.315 0.000 0.217 218 A C 2.262 179.733 177.584 -0.189 0.000 1.175 218 A CA 1.447 53.409 52.037 -0.124 0.000 0.627 218 A CB -1.086 17.863 19.000 -0.085 0.000 0.815 218 A HN 0.594 nan 8.150 nan 0.000 0.443 219 C N -0.850 118.245 119.300 -0.341 0.000 2.432 219 C HA 0.044 4.693 4.460 0.315 0.000 0.277 219 C C 3.289 178.021 174.990 -0.429 0.000 1.249 219 C CA 0.707 59.416 59.018 -0.516 0.000 1.725 219 C CB -1.425 25.660 27.740 -1.091 0.000 2.028 219 C HN 0.708 nan 8.230 nan 0.000 0.477 220 A N 0.449 123.004 122.820 -0.443 0.000 1.948 220 A HA -0.174 4.335 4.320 0.315 0.000 0.220 220 A C 2.093 179.765 177.584 0.147 0.000 1.177 220 A CA 1.789 53.847 52.037 0.034 0.000 0.636 220 A CB -0.618 18.363 19.000 -0.032 0.000 0.815 220 A HN 0.654 nan 8.150 nan 0.000 0.449 221 L N -1.454 119.794 121.223 0.042 0.000 2.131 221 L HA -0.087 4.442 4.340 0.315 0.000 0.206 221 L C 2.808 179.658 176.870 -0.032 0.000 1.087 221 L CA 0.888 55.763 54.840 0.059 0.000 0.767 221 L CB -0.381 41.681 42.059 0.005 0.000 0.917 221 L HN 0.318 nan 8.230 nan 0.000 0.441 222 R N -0.093 120.374 120.500 -0.056 0.000 2.081 222 R HA -0.134 4.395 4.340 0.315 0.000 0.235 222 R C 2.252 178.498 176.300 -0.090 0.000 1.131 222 R CA 0.937 57.002 56.100 -0.058 0.000 0.960 222 R CB -0.272 29.997 30.300 -0.051 0.000 0.856 222 R HN 0.173 nan 8.270 nan 0.000 0.436 223 K N 1.135 121.447 120.400 -0.146 0.000 2.097 223 K HA -0.144 4.365 4.320 0.315 0.000 0.206 223 K C 1.957 178.238 176.600 -0.531 0.000 1.049 223 K CA 1.100 57.132 56.287 -0.425 0.000 0.933 223 K CB -0.115 31.922 32.500 -0.773 0.000 0.717 223 K HN 0.147 nan 8.250 nan 0.000 0.442 224 K N 0.441 120.645 120.400 -0.326 0.000 2.025 224 K HA -0.060 4.449 4.320 0.315 0.000 0.207 224 K C 1.993 178.584 176.600 -0.015 0.000 1.049 224 K CA 1.173 57.400 56.287 -0.100 0.000 0.933 224 K CB -0.047 32.260 32.500 -0.322 0.000 0.714 224 K HN 0.027 nan 8.250 nan 0.000 0.438 225 A N 0.909 123.693 122.820 -0.060 0.000 1.972 225 A HA -0.145 4.364 4.320 0.315 0.000 0.219 225 A C 2.129 179.737 177.584 0.040 0.000 1.169 225 A CA 2.271 54.303 52.037 -0.008 0.000 0.635 225 A CB -0.947 18.034 19.000 -0.031 0.000 0.810 225 A HN 0.656 nan 8.150 nan 0.000 0.446 226 T N -2.805 111.756 114.554 0.011 0.000 2.851 226 T HA -0.039 4.501 4.350 0.315 0.000 0.262 226 T C 1.719 176.450 174.700 0.053 0.000 1.043 226 T CA 1.244 63.358 62.100 0.022 0.000 1.140 226 T CB -0.698 68.169 68.868 -0.001 0.000 0.872 226 T HN 0.056 nan 8.240 nan 0.000 0.446 227 V N 0.552 120.518 119.914 0.086 0.000 2.261 227 V HA -0.026 4.283 4.120 0.315 0.000 0.246 227 V C 2.266 178.415 176.094 0.092 0.000 1.047 227 V CA 1.602 63.973 62.300 0.118 0.000 1.015 227 V CB -0.917 31.047 31.823 0.236 0.000 0.642 227 V HN 0.388 nan 8.190 nan 0.000 0.446 228 F N 0.447 120.395 119.950 -0.002 0.000 2.451 228 F HA 0.018 4.734 4.527 0.315 0.000 0.299 228 F C 1.422 177.206 175.800 -0.026 0.000 1.101 228 F CA 0.569 58.554 58.000 -0.025 0.000 1.436 228 F CB 0.205 39.168 39.000 -0.061 0.000 1.074 228 F HN 0.087 nan 8.300 nan 0.000 0.553 229 R N 0.907 121.489 120.500 0.138 0.000 3.656 229 R HA -0.244 4.285 4.340 0.315 0.000 0.297 229 R C 0.178 176.533 176.300 0.092 0.000 1.166 229 R CA 0.859 57.007 56.100 0.081 0.000 0.799 229 R CB -2.477 27.845 30.300 0.037 0.000 1.285 229 R HN 0.661 nan 8.270 nan 0.000 0.477 236 P HA -0.169 nan 4.420 nan 0.000 0.217 236 P C 0.173 177.638 177.300 0.275 0.000 1.148 236 P CA 1.193 64.403 63.100 0.184 0.000 0.828 236 P CB 0.455 32.209 31.700 0.090 0.000 0.783 237 E N -0.433 119.906 120.200 0.231 0.000 2.409 237 E HA -0.129 4.411 4.350 0.315 0.000 0.198 237 E C 1.528 178.338 176.600 0.351 0.000 1.024 237 E CA 0.641 57.194 56.400 0.255 0.000 0.861 237 E CB -0.603 29.205 29.700 0.180 0.000 0.788 237 E HN 0.392 nan 8.360 nan 0.000 0.521 238 E N -0.510 119.845 120.200 0.258 0.000 2.502 238 E HA -0.005 4.534 4.350 0.315 0.000 0.194 238 E C -0.340 175.994 176.600 -0.443 0.000 1.062 238 E CA 0.329 56.681 56.400 -0.080 0.000 0.867 238 E CB 0.246 29.860 29.700 -0.142 0.000 0.888 238 E HN 0.338 nan 8.360 nan 0.000 0.510 239 Y N -0.356 119.970 120.300 0.042 0.000 2.598 239 Y HA 0.560 5.299 4.550 0.315 0.000 0.340 239 Y C 0.133 176.171 175.900 0.230 0.000 1.038 239 Y CA -1.019 57.099 58.100 0.030 0.000 1.100 239 Y CB 1.742 40.248 38.460 0.076 0.000 1.281 239 Y HN -0.191 nan 8.280 nan 0.000 0.488 240 A N 1.316 124.370 122.820 0.390 0.000 2.430 240 A HA 0.809 5.318 4.320 0.315 0.000 0.300 240 A C -1.837 175.945 177.584 0.331 0.000 1.124 240 A CA -0.818 51.472 52.037 0.421 0.000 0.766 240 A CB 1.130 20.410 19.000 0.467 0.000 1.328 240 A HN 0.713 nan 8.150 nan 0.000 0.424 241 L N 1.476 122.850 121.223 0.250 0.000 2.264 241 L HA 0.403 4.932 4.340 0.315 0.000 0.289 241 L C 0.430 177.217 176.870 -0.140 0.000 1.044 241 L CA -0.135 54.730 54.840 0.042 0.000 0.807 241 L CB 1.420 43.458 42.059 -0.034 0.000 1.192 241 L HN 0.807 nan 8.230 nan 0.000 0.425 242 Q N 2.448 122.013 119.800 -0.391 0.000 2.241 242 Q HA 0.372 4.901 4.340 0.315 0.000 0.254 242 Q C -1.004 174.692 176.000 -0.507 0.000 0.917 242 Q CA -0.780 54.496 55.803 -0.879 0.000 0.919 242 Q CB 2.005 30.201 28.738 -0.903 0.000 1.237 242 Q HN 0.401 nan 8.270 nan 0.000 0.434 243 V N 4.562 124.152 119.914 -0.540 0.000 2.470 243 V HA 0.015 4.324 4.120 0.315 0.000 0.276 243 V C 0.007 175.885 176.094 -0.360 0.000 1.040 243 V CA -0.502 61.506 62.300 -0.487 0.000 1.008 243 V CB 0.524 31.946 31.823 -0.668 0.000 0.990 243 V HN 0.744 nan 8.190 nan 0.000 0.477 244 N N 4.106 122.666 118.700 -0.233 0.000 2.365 244 N HA 0.193 5.122 4.740 0.315 0.000 0.265 244 N C 1.276 176.709 175.510 -0.127 0.000 1.288 244 N CA 1.254 54.227 53.050 -0.130 0.000 0.869 244 N CB 0.517 38.992 38.487 -0.022 0.000 1.071 244 N HN 1.085 nan 8.380 nan 0.000 0.480 245 G N 1.448 110.186 108.800 -0.104 0.000 2.166 245 G HA2 -0.328 3.821 3.960 0.315 0.000 0.260 245 G HA3 -0.328 3.821 3.960 0.315 0.000 0.260 245 G C 0.010 174.839 174.900 -0.117 0.000 0.986 245 G CA 0.253 45.303 45.100 -0.084 0.000 0.683 245 G HN 0.627 nan 8.290 nan 0.000 0.527 246 R N -1.244 119.165 120.500 -0.151 0.000 2.854 246 R HA 0.518 5.048 4.340 0.315 0.000 0.271 246 R C -0.671 175.592 176.300 -0.062 0.000 0.996 246 R CA -1.109 54.907 56.100 -0.140 0.000 0.961 246 R CB 0.804 31.015 30.300 -0.149 0.000 1.182 246 R HN 0.155 nan 8.270 nan 0.000 0.479 247 H N 1.330 120.376 119.070 -0.039 0.000 2.966 247 H HA 0.179 4.925 4.556 0.316 0.000 0.217 247 H C -0.531 174.822 175.328 0.041 0.000 1.906 247 H CA 0.145 56.199 56.048 0.010 0.000 1.351 247 H CB -0.427 29.498 29.762 0.272 0.000 1.722 247 H HN 0.443 nan 8.280 nan 0.000 0.562 248 E N 0.860 121.063 120.200 0.005 0.000 2.314 248 E HA 0.398 4.937 4.350 0.315 0.000 0.272 248 E C -1.456 175.096 176.600 -0.080 0.000 0.884 248 E CA -0.740 55.689 56.400 0.049 0.000 0.753 248 E CB 1.742 31.411 29.700 -0.052 0.000 1.213 248 E HN 0.135 nan 8.360 nan 0.000 0.432 249 Y N 1.655 121.947 120.300 -0.014 0.000 2.562 249 Y HA 0.470 5.210 4.550 0.315 0.000 0.345 249 Y C -1.001 174.898 175.900 -0.001 0.000 1.045 249 Y CA -0.805 57.323 58.100 0.046 0.000 1.028 249 Y CB 1.690 40.287 38.460 0.229 0.000 1.297 249 Y HN 0.414 nan 8.280 nan 0.000 0.463 250 L N 4.057 125.319 121.223 0.064 0.000 2.325 250 L HA 0.602 5.131 4.340 0.315 0.000 0.281 250 L C -1.139 175.770 176.870 0.066 0.000 1.004 250 L CA -0.704 53.919 54.840 -0.360 0.000 0.823 250 L CB 0.768 42.386 42.059 -0.735 0.000 1.236 250 L HN 0.629 nan 8.230 nan 0.000 0.415 251 Y N 1.024 121.405 120.300 0.136 0.000 2.779 251 Y HA 0.855 5.594 4.550 0.315 0.000 0.340 251 Y C 0.073 176.266 175.900 0.487 0.000 1.252 251 Y CA -1.055 57.204 58.100 0.264 0.000 1.072 251 Y CB 0.854 39.449 38.460 0.224 0.000 1.343 251 Y HN 0.875 nan 8.280 nan 0.000 0.450 252 G N 1.027 110.139 108.800 0.519 0.000 2.592 252 G HA2 -0.109 4.040 3.960 0.315 0.000 0.684 252 G HA3 -0.109 4.040 3.960 0.315 0.000 0.684 252 G C -1.593 173.401 174.900 0.157 0.000 1.291 252 G CA -0.754 44.582 45.100 0.395 0.000 0.891 252 G HN 0.886 nan 8.290 nan 0.000 0.544 253 N N 0.778 119.303 118.700 -0.292 0.000 3.298 253 N HA 0.466 5.395 4.740 0.315 0.000 0.292 253 N C -1.132 174.008 175.510 -0.617 0.000 1.271 253 N CA 0.242 53.074 53.050 -0.363 0.000 1.184 253 N CB -0.213 38.069 38.487 -0.340 0.000 1.452 253 N HN 0.432 nan 8.380 nan 0.000 0.534 254 Y N -0.027 120.283 120.300 0.016 0.000 2.406 254 Y HA 0.416 5.156 4.550 0.316 0.000 0.340 254 Y C -2.099 173.742 175.900 -0.097 0.000 0.975 254 Y CA -2.608 55.410 58.100 -0.138 0.000 1.056 254 Y CB 1.767 39.963 38.460 -0.440 0.000 1.210 254 Y HN 0.130 nan 8.280 nan 0.000 0.448 255 P HA 0.074 nan 4.420 nan 0.000 0.268 255 P C 0.791 178.115 177.300 0.040 0.000 1.205 255 P CA 0.092 63.099 63.100 -0.156 0.000 0.771 255 P CB 1.115 32.559 31.700 -0.426 0.000 0.858 256 L N 2.619 123.948 121.223 0.177 0.000 2.089 256 L HA -0.255 4.274 4.340 0.315 0.000 0.213 256 L C 2.445 179.500 176.870 0.308 0.000 1.079 256 L CA 2.137 57.178 54.840 0.335 0.000 0.758 256 L CB -1.003 41.155 42.059 0.164 0.000 0.891 256 L HN 0.511 nan 8.230 nan 0.000 0.433 257 C N -2.929 116.461 119.300 0.149 0.000 2.511 257 C HA -0.040 4.609 4.460 0.315 0.000 0.277 257 C C 2.098 177.227 174.990 0.231 0.000 1.451 257 C CA -0.241 58.868 59.018 0.150 0.000 1.735 257 C CB -1.956 25.844 27.740 0.100 0.000 1.704 257 C HN 0.477 nan 8.230 nan 0.000 0.571 258 H N -1.367 117.697 119.070 -0.010 0.000 2.544 258 H HA 0.191 4.936 4.556 0.315 0.000 0.269 258 H C -0.057 175.106 175.328 -0.275 0.000 0.970 258 H CA -0.040 55.914 56.048 -0.156 0.000 1.219 258 H CB 0.046 29.677 29.762 -0.219 0.000 1.421 258 H HN 0.438 nan 8.280 nan 0.000 0.555 259 F N 2.014 122.024 119.950 0.101 0.000 2.472 259 F HA 0.024 4.740 4.527 0.315 0.000 0.364 259 F C 1.510 177.346 175.800 0.059 0.000 1.090 259 F CA -0.148 57.875 58.000 0.039 0.000 1.188 259 F CB 0.957 39.993 39.000 0.059 0.000 1.105 259 F HN 0.038 nan 8.300 nan 0.000 0.536 260 Q N 2.121 122.034 119.800 0.189 0.000 2.156 260 Q HA -0.319 4.210 4.340 0.315 0.000 0.211 260 Q C 1.696 177.819 176.000 0.204 0.000 0.995 260 Q CA 2.279 58.176 55.803 0.156 0.000 0.877 260 Q CB -0.444 28.366 28.738 0.120 0.000 0.920 260 Q HN 0.837 nan 8.270 nan 0.000 0.416 261 Y N 0.964 121.342 120.300 0.129 0.000 2.145 261 Y HA -0.233 4.506 4.550 0.315 0.000 0.286 261 Y C 1.898 177.857 175.900 0.098 0.000 1.145 261 Y CA 1.193 59.348 58.100 0.092 0.000 1.148 261 Y CB -0.110 38.381 38.460 0.052 0.000 0.981 261 Y HN 0.045 nan 8.280 nan 0.000 0.507 262 I N -0.812 119.774 120.570 0.027 0.000 2.252 262 I HA -0.304 4.055 4.170 0.315 0.000 0.245 262 I C 2.842 178.925 176.117 -0.056 0.000 1.102 262 I CA 0.923 62.182 61.300 -0.069 0.000 1.385 262 I CB -1.922 36.138 38.000 0.100 0.000 1.064 262 I HN 0.371 nan 8.210 nan 0.000 0.414 263 C N 0.112 119.434 119.300 0.038 0.000 2.393 263 C HA -0.209 4.440 4.460 0.315 0.000 0.276 263 C C 3.358 178.379 174.990 0.051 0.000 1.215 263 C CA 1.735 60.779 59.018 0.044 0.000 1.743 263 C CB -0.910 26.893 27.740 0.106 0.000 2.044 263 C HN 0.532 nan 8.230 nan 0.000 0.464 264 S N -1.120 114.611 115.700 0.052 0.000 2.359 264 S HA -0.240 4.419 4.470 0.315 0.000 0.223 264 S C 1.887 176.483 174.600 -0.007 0.000 1.039 264 S CA 2.037 60.273 58.200 0.061 0.000 1.042 264 S CB -0.479 62.749 63.200 0.048 0.000 0.915 264 S HN 0.772 nan 8.310 nan 0.000 0.439 265 C N 0.980 120.181 119.300 -0.165 0.000 2.429 265 C HA -0.011 4.638 4.460 0.315 0.000 0.277 265 C C 2.481 177.419 174.990 -0.086 0.000 1.262 265 C CA 0.598 59.507 59.018 -0.182 0.000 1.733 265 C CB -1.557 25.971 27.740 -0.352 0.000 2.010 265 C HN 0.558 nan 8.230 nan 0.000 0.483 266 L N -0.651 120.514 121.223 -0.098 0.000 2.056 266 L HA -0.160 4.369 4.340 0.315 0.000 0.207 266 L C 2.810 179.612 176.870 -0.113 0.000 1.078 266 L CA 1.329 56.098 54.840 -0.118 0.000 0.749 266 L CB -0.803 41.149 42.059 -0.178 0.000 0.901 266 L HN 0.488 nan 8.230 nan 0.000 0.433 267 H N -0.301 118.770 119.070 0.001 0.000 2.268 267 H HA -0.097 4.648 4.556 0.315 0.000 0.304 267 H C 2.608 177.945 175.328 0.016 0.000 1.064 267 H CA 1.914 57.972 56.048 0.017 0.000 1.316 267 H CB -0.425 29.354 29.762 0.029 0.000 1.386 267 H HN 0.345 nan 8.280 nan 0.000 0.496 268 S N -0.567 115.221 115.700 0.147 0.000 2.419 268 S HA -0.056 4.603 4.470 0.315 0.000 0.235 268 S C 1.917 176.543 174.600 0.043 0.000 1.019 268 S CA 1.449 59.698 58.200 0.082 0.000 0.982 268 S CB -0.245 62.993 63.200 0.063 0.000 0.789 268 S HN 0.745 nan 8.310 nan 0.000 0.490 269 G N 0.162 108.978 108.800 0.027 0.000 2.195 269 G HA2 -0.201 3.948 3.960 0.315 0.000 0.224 269 G HA3 -0.201 3.948 3.960 0.315 0.000 0.224 269 G C -0.076 174.826 174.900 0.003 0.000 0.990 269 G CA 0.037 45.144 45.100 0.011 0.000 0.639 269 G HN 0.547 nan 8.290 nan 0.000 0.514 270 L N 1.745 122.967 121.223 -0.001 0.000 2.476 270 L HA 0.579 5.108 4.340 0.315 0.000 0.264 270 L C 0.881 177.759 176.870 0.012 0.000 1.224 270 L CA 0.654 55.496 54.840 0.003 0.000 0.821 270 L CB 0.737 42.796 42.059 -0.001 0.000 1.101 270 L HN 0.121 nan 8.230 nan 0.000 0.488 271 T N 4.059 118.656 114.554 0.071 0.000 2.744 271 T HA 0.335 4.875 4.350 0.315 0.000 0.291 271 T C -2.412 172.436 174.700 0.248 0.000 0.957 271 T CA -0.982 61.201 62.100 0.138 0.000 1.002 271 T CB 0.957 69.945 68.868 0.200 0.000 0.919 271 T HN 0.364 nan 8.240 nan 0.000 0.468 272 P HA 0.049 nan 4.420 nan 0.000 0.264 272 P C -0.455 177.078 177.300 0.390 0.000 1.183 272 P CA 0.142 63.374 63.100 0.221 0.000 0.763 272 P CB 0.281 32.033 31.700 0.088 0.000 0.807 273 H N 2.659 121.878 119.070 0.247 0.000 2.646 273 H HA 0.445 5.190 4.556 0.316 0.000 0.328 273 H C -0.388 174.967 175.328 0.044 0.000 0.998 273 H CA -0.628 55.488 56.048 0.113 0.000 1.225 273 H CB 1.137 30.945 29.762 0.076 0.000 1.457 273 H HN 0.255 nan 8.280 nan 0.000 0.505 274 L N 2.273 123.526 121.223 0.050 0.000 2.371 274 L HA 0.446 4.975 4.340 0.315 0.000 0.262 274 L C -0.203 176.619 176.870 -0.081 0.000 1.006 274 L CA -0.813 54.003 54.840 -0.040 0.000 0.818 274 L CB 2.579 44.617 42.059 -0.035 0.000 1.354 274 L HN 0.506 nan 8.230 nan 0.000 0.415 275 T N 1.609 116.086 114.554 -0.128 0.000 2.829 275 T HA 0.475 5.014 4.350 0.315 0.000 0.280 275 T C -0.139 174.478 174.700 -0.139 0.000 0.999 275 T CA -0.672 61.352 62.100 -0.127 0.000 0.983 275 T CB 1.709 70.524 68.868 -0.089 0.000 0.968 275 T HN 0.303 nan 8.240 nan 0.000 0.446 276 M N 3.556 123.015 119.600 -0.234 0.000 2.266 276 M HA 0.241 4.910 4.480 0.315 0.000 0.340 276 M C -0.682 175.708 176.300 0.150 0.000 1.486 276 M CA -0.215 54.965 55.300 -0.200 0.000 1.209 276 M CB 0.095 32.181 32.600 -0.856 0.000 1.714 276 M HN 0.349 nan 8.290 nan 0.000 0.459 277 V N 3.902 123.982 119.914 0.277 0.000 2.370 277 V HA 0.190 4.499 4.120 0.315 0.000 0.283 277 V C 0.135 176.319 176.094 0.150 0.000 1.023 277 V CA -0.790 61.662 62.300 0.253 0.000 0.857 277 V CB 1.191 33.154 31.823 0.234 0.000 0.985 277 V HN 0.724 nan 8.190 nan 0.000 0.443 278 H N 3.275 122.232 119.070 -0.187 0.000 2.757 278 H HA 0.113 4.858 4.556 0.315 0.000 0.370 278 H C 1.605 176.534 175.328 -0.663 0.000 1.172 278 H CA 0.792 56.391 56.048 -0.748 0.000 1.426 278 H CB 1.383 30.800 29.762 -0.575 0.000 1.438 278 H HN 0.743 nan 8.280 nan 0.000 0.612 279 S N 1.003 115.707 115.700 -1.660 0.000 2.382 279 S HA -0.222 4.437 4.470 0.315 0.000 0.228 279 S C 2.223 176.268 174.600 -0.925 0.000 1.027 279 S CA 1.179 58.350 58.200 -1.715 0.000 0.991 279 S CB -0.808 61.005 63.200 -2.310 0.000 0.823 279 S HN 0.686 nan 8.310 nan 0.000 0.469 280 S N 1.753 117.089 115.700 -0.606 0.000 2.419 280 S HA -0.114 4.546 4.470 0.315 0.000 0.233 280 S C 2.009 176.512 174.600 -0.162 0.000 1.016 280 S CA 1.300 59.368 58.200 -0.220 0.000 0.974 280 S CB -0.943 62.267 63.200 0.018 0.000 0.786 280 S HN 0.682 nan 8.310 nan 0.000 0.492 281 S N 1.644 117.259 115.700 -0.142 0.000 2.377 281 S HA 0.090 4.749 4.470 0.315 0.000 0.223 281 S C 1.819 176.365 174.600 -0.089 0.000 1.030 281 S CA 0.739 58.895 58.200 -0.073 0.000 0.970 281 S CB -0.646 62.550 63.200 -0.007 0.000 0.830 281 S HN 0.600 nan 8.310 nan 0.000 0.473 282 I N 1.308 121.795 120.570 -0.137 0.000 2.315 282 I HA -0.114 4.246 4.170 0.315 0.000 0.248 282 I C 2.245 178.248 176.117 -0.190 0.000 1.117 282 I CA 0.980 62.236 61.300 -0.072 0.000 1.404 282 I CB -0.310 37.698 38.000 0.014 0.000 1.071 282 I HN 0.302 nan 8.210 nan 0.000 0.419 283 L N 0.435 121.522 121.223 -0.227 0.000 2.109 283 L HA -0.129 4.400 4.340 0.315 0.000 0.207 283 L C 2.849 179.550 176.870 -0.282 0.000 1.086 283 L CA 1.031 55.710 54.840 -0.267 0.000 0.760 283 L CB -0.627 41.310 42.059 -0.204 0.000 0.910 283 L HN 0.227 nan 8.230 nan 0.000 0.437 284 A N -0.047 122.652 122.820 -0.201 0.000 1.978 284 A HA -0.237 4.272 4.320 0.315 0.000 0.220 284 A C 2.302 179.772 177.584 -0.190 0.000 1.170 284 A CA 1.721 53.661 52.037 -0.161 0.000 0.636 284 A CB -0.404 18.538 19.000 -0.096 0.000 0.810 284 A HN 0.348 nan 8.150 nan 0.000 0.448 285 M N -1.493 117.982 119.600 -0.208 0.000 2.077 285 M HA -0.114 4.555 4.480 0.315 0.000 0.261 285 M C 2.447 178.431 176.300 -0.525 0.000 1.070 285 M CA 1.852 57.023 55.300 -0.215 0.000 1.125 285 M CB -0.411 32.170 32.600 -0.031 0.000 1.339 285 M HN 0.475 nan 8.290 nan 0.000 0.409 286 R N 0.772 120.669 120.500 -1.004 0.000 2.091 286 R HA -0.196 4.333 4.340 0.315 0.000 0.238 286 R C 1.395 177.233 176.300 -0.771 0.000 1.136 286 R CA 2.147 57.303 56.100 -1.572 0.000 0.959 286 R CB -0.288 29.069 30.300 -1.572 0.000 0.856 286 R HN 0.300 nan 8.270 nan 0.000 0.437 287 D N 0.535 120.645 120.400 -0.483 0.000 2.117 287 D HA -0.197 4.633 4.640 0.315 0.000 0.197 287 D C 1.702 177.872 176.300 -0.217 0.000 0.987 287 D CA 1.788 55.613 54.000 -0.291 0.000 0.829 287 D CB -0.230 40.445 40.800 -0.208 0.000 0.961 287 D HN 0.614 nan 8.370 nan 0.000 0.460 288 E N 0.323 120.403 120.200 -0.199 0.000 2.418 288 E HA -0.128 4.411 4.350 0.315 0.000 0.197 288 E C 0.974 177.539 176.600 -0.058 0.000 1.026 288 E CA 0.548 56.892 56.400 -0.094 0.000 0.862 288 E CB -0.235 29.442 29.700 -0.039 0.000 0.799 288 E HN 0.336 nan 8.360 nan 0.000 0.518 289 Q N 1.603 121.296 119.800 -0.179 0.000 2.204 289 Q HA 0.109 4.638 4.340 0.315 0.000 0.209 289 Q C 0.149 176.120 176.000 -0.048 0.000 0.861 289 Q CA -0.062 55.649 55.803 -0.153 0.000 0.971 289 Q CB 0.980 29.511 28.738 -0.345 0.000 1.095 289 Q HN 0.255 nan 8.270 nan 0.000 0.486 290 S N -0.032 115.625 115.700 -0.071 0.000 2.587 290 S HA 0.060 4.719 4.470 0.315 0.000 0.260 290 S C 0.284 174.878 174.600 -0.010 0.000 1.353 290 S CA -0.393 57.773 58.200 -0.057 0.000 0.995 290 S CB 0.950 64.108 63.200 -0.070 0.000 0.912 290 S HN 0.242 nan 8.310 nan 0.000 0.568 317 W N 0.549 121.737 121.300 -0.186 0.000 2.389 317 W HA -0.053 4.796 4.660 0.315 0.000 0.267 317 W C 0.934 177.371 176.519 -0.137 0.000 1.219 317 W CA 1.558 58.752 57.345 -0.253 0.000 1.189 317 W CB -1.087 28.249 29.460 -0.208 0.000 1.129 317 W HN 0.542 nan 8.180 nan 0.000 0.581 318 S N 1.347 116.751 115.700 -0.493 0.000 2.481 318 S HA 0.050 4.709 4.470 0.315 0.000 0.231 318 S C 1.032 175.376 174.600 -0.427 0.000 0.996 318 S CA 0.451 58.262 58.200 -0.648 0.000 0.942 318 S CB -0.296 62.755 63.200 -0.248 0.000 0.768 318 S HN 0.197 nan 8.310 nan 0.000 0.520 319 L N 1.633 122.694 121.223 -0.270 0.000 2.297 319 L HA 0.428 4.957 4.340 0.315 0.000 0.277 319 L C 0.848 177.647 176.870 -0.118 0.000 1.040 319 L CA -0.203 54.548 54.840 -0.148 0.000 0.867 319 L CB 0.711 42.733 42.059 -0.062 0.000 1.244 319 L HN 0.044 nan 8.230 nan 0.000 0.433 320 E N 1.246 121.369 120.200 -0.129 0.000 2.371 320 E HA -0.052 4.488 4.350 0.315 0.000 0.194 320 E C 0.777 177.363 176.600 -0.024 0.000 1.012 320 E CA -0.006 56.346 56.400 -0.080 0.000 0.860 320 E CB 0.458 30.096 29.700 -0.102 0.000 0.811 320 E HN 0.643 nan 8.360 nan 0.000 0.502 321 Q N 1.579 121.367 119.800 -0.019 0.000 2.432 321 Q HA 0.102 4.631 4.340 0.315 0.000 0.264 321 Q C -2.530 173.497 176.000 0.045 0.000 1.035 321 Q CA -1.655 54.152 55.803 0.006 0.000 0.908 321 Q CB -0.273 28.462 28.738 -0.004 0.000 1.280 321 Q HN -0.205 nan 8.270 nan 0.000 0.455 322 P HA 0.030 nan 4.420 nan 0.000 0.267 322 P C -0.832 176.564 177.300 0.160 0.000 1.200 322 P CA -0.073 63.096 63.100 0.114 0.000 0.772 322 P CB 0.148 31.901 31.700 0.088 0.000 0.855 323 F N 2.625 122.637 119.950 0.104 0.000 2.418 323 F HA 0.428 5.145 4.527 0.315 0.000 0.341 323 F C 0.341 176.301 175.800 0.268 0.000 1.120 323 F CA 0.908 58.978 58.000 0.117 0.000 1.232 323 F CB 0.587 39.606 39.000 0.031 0.000 1.175 323 F HN 0.444 nan 8.300 nan 0.000 0.569 324 S N 5.883 121.207 115.700 -0.627 0.000 2.578 324 S HA 0.702 5.361 4.470 0.315 0.000 0.272 324 S C -1.176 173.179 174.600 -0.409 0.000 1.145 324 S CA -0.762 57.310 58.200 -0.215 0.000 0.835 324 S CB 1.049 64.198 63.200 -0.085 0.000 1.104 324 S HN 1.067 nan 8.310 nan 0.000 0.458 325 I N -1.697 118.831 120.570 -0.070 0.000 2.894 325 I HA 0.739 5.098 4.170 0.315 0.000 0.302 325 I C -0.769 175.385 176.117 0.062 0.000 1.188 325 I CA -0.910 60.398 61.300 0.013 0.000 1.014 325 I CB 2.096 40.208 38.000 0.186 0.000 1.242 325 I HN 0.822 nan 8.210 nan 0.000 0.430 326 E N 3.272 123.530 120.200 0.097 0.000 2.194 326 E HA 0.356 4.895 4.350 0.315 0.000 0.284 326 E C -1.252 175.400 176.600 0.087 0.000 1.035 326 E CA -0.829 55.619 56.400 0.080 0.000 0.836 326 E CB 1.495 31.234 29.700 0.065 0.000 1.070 326 E HN 0.614 nan 8.360 nan 0.000 0.401 327 L N 6.290 127.544 121.223 0.051 0.000 2.283 327 L HA 0.250 4.779 4.340 0.315 0.000 0.287 327 L C -0.062 176.866 176.870 0.097 0.000 1.073 327 L CA 0.438 55.278 54.840 -0.000 0.000 0.822 327 L CB 0.461 42.438 42.059 -0.137 0.000 1.186 327 L HN 0.758 nan 8.230 nan 0.000 0.436 328 I N 3.420 124.052 120.570 0.102 0.000 2.368 328 I HA 0.141 4.500 4.170 0.315 0.000 0.238 328 I C 0.500 176.750 176.117 0.223 0.000 1.076 328 I CA 0.626 62.005 61.300 0.131 0.000 1.397 328 I CB 0.036 38.079 38.000 0.072 0.000 1.141 328 I HN 0.768 nan 8.210 nan 0.000 0.430 329 E N -0.667 119.673 120.200 0.234 0.000 2.435 329 E HA 0.615 5.154 4.350 0.315 0.000 0.277 329 E C -0.929 175.820 176.600 0.249 0.000 1.106 329 E CA -1.077 55.473 56.400 0.251 0.000 0.868 329 E CB 1.289 31.021 29.700 0.053 0.000 1.454 329 E HN 0.078 nan 8.360 nan 0.000 0.452 330 G N -0.398 108.517 108.800 0.191 0.000 2.766 330 G HA2 0.615 4.764 3.960 0.315 0.000 0.288 330 G HA3 0.615 4.764 3.960 0.315 0.000 0.288 330 G C -1.036 173.880 174.900 0.026 0.000 1.408 330 G CA -1.053 44.125 45.100 0.129 0.000 0.852 330 G HN 0.533 nan 8.290 nan 0.000 0.487 331 R N -0.128 120.379 120.500 0.012 0.000 2.583 331 R HA 0.247 4.776 4.340 0.315 0.000 0.329 331 R C -0.129 176.172 176.300 0.003 0.000 1.166 331 R CA -0.711 55.386 56.100 -0.004 0.000 1.264 331 R CB 0.276 30.571 30.300 -0.008 0.000 1.324 331 R HN 0.408 nan 8.270 nan 0.000 0.684 332 K N 0.298 120.707 120.400 0.015 0.000 2.916 332 K HA 0.450 4.960 4.320 0.315 0.000 0.320 332 K C 0.041 176.650 176.600 0.016 0.000 1.032 332 K CA -0.540 55.759 56.287 0.020 0.000 1.074 332 K CB 0.318 32.845 32.500 0.046 0.000 1.192 332 K HN -0.043 nan 8.250 nan 0.000 0.468 333 V N 0.664 120.593 119.914 0.025 0.000 2.671 333 V HA 0.366 4.675 4.120 0.315 0.000 0.292 333 V C -1.425 174.690 176.094 0.036 0.000 1.115 333 V CA -0.472 61.842 62.300 0.023 0.000 0.918 333 V CB 1.134 32.968 31.823 0.018 0.000 1.036 333 V HN 0.851 nan 8.190 nan 0.000 0.445 334 N N 2.550 121.270 118.700 0.033 0.000 3.441 334 N HA 0.837 5.766 4.740 0.315 0.000 0.313 334 N C -0.667 174.864 175.510 0.035 0.000 1.526 334 N CA 0.265 53.341 53.050 0.042 0.000 0.871 334 N CB 1.634 40.159 38.487 0.062 0.000 1.779 334 N HN 0.756 nan 8.380 nan 0.000 0.529 340 K N 1.376 121.822 120.400 0.077 0.000 2.166 340 K HA 0.838 5.347 4.320 0.315 0.000 0.245 340 K C -1.411 175.275 176.600 0.144 0.000 0.967 340 K CA -0.343 56.001 56.287 0.094 0.000 0.863 340 K CB 1.566 34.124 32.500 0.096 0.000 1.107 340 K HN 0.485 nan 8.250 nan 0.000 0.436 341 L N 1.494 122.820 121.223 0.171 0.000 2.325 341 L HA 0.636 5.165 4.340 0.315 0.000 0.278 341 L C -0.796 176.267 176.870 0.322 0.000 1.023 341 L CA -1.060 53.931 54.840 0.252 0.000 0.811 341 L CB 1.619 43.849 42.059 0.283 0.000 1.249 341 L HN 0.226 nan 8.230 nan 0.000 0.431 342 V N 2.672 122.727 119.914 0.235 0.000 3.007 342 V HA 0.503 4.812 4.120 0.315 0.000 0.311 342 V C -0.629 175.324 176.094 -0.235 0.000 1.120 342 V CA -0.710 61.659 62.300 0.115 0.000 0.980 342 V CB 2.788 34.768 31.823 0.261 0.000 1.033 342 V HN 0.369 nan 8.190 nan 0.000 0.429 343 V N 2.814 122.541 119.914 -0.312 0.000 2.444 343 V HA 0.449 4.758 4.120 0.315 0.000 0.294 343 V C -0.268 175.703 176.094 -0.205 0.000 1.022 343 V CA -0.457 61.611 62.300 -0.386 0.000 0.850 343 V CB 1.528 33.049 31.823 -0.503 0.000 0.992 343 V HN 0.927 nan 8.190 nan 0.000 0.426 344 Q N 3.116 122.812 119.800 -0.174 0.000 2.257 344 Q HA 0.768 5.297 4.340 0.315 0.000 0.255 344 Q C -0.648 175.406 176.000 0.090 0.000 0.920 344 Q CA -0.496 55.331 55.803 0.041 0.000 0.927 344 Q CB 1.791 30.655 28.738 0.209 0.000 1.229 344 Q HN 0.909 nan 8.270 nan 0.000 0.433 345 A N 2.594 125.468 122.820 0.090 0.000 2.374 345 A HA 0.854 5.363 4.320 0.315 0.000 0.305 345 A C -0.747 176.946 177.584 0.183 0.000 1.053 345 A CA -0.185 51.885 52.037 0.055 0.000 0.726 345 A CB 1.822 20.838 19.000 0.027 0.000 1.229 345 A HN 0.769 nan 8.150 nan 0.000 0.431 346 G N 0.412 109.318 108.800 0.177 0.000 2.619 346 G HA2 0.603 4.752 3.960 0.315 0.000 0.296 346 G HA3 0.603 4.752 3.960 0.315 0.000 0.296 346 G C -1.314 173.599 174.900 0.021 0.000 1.334 346 G CA -0.657 44.540 45.100 0.162 0.000 0.934 346 G HN 0.682 nan 8.290 nan 0.000 0.476 347 L N 0.454 121.548 121.223 -0.215 0.000 2.307 347 L HA 0.627 5.156 4.340 0.315 0.000 0.284 347 L C -0.975 175.695 176.870 -0.334 0.000 1.023 347 L CA -0.583 54.085 54.840 -0.287 0.000 0.810 347 L CB 1.499 43.280 42.059 -0.462 0.000 1.231 347 L HN 0.378 nan 8.230 nan 0.000 0.423 348 F N 0.228 120.102 119.950 -0.126 0.000 2.588 348 F HA 0.345 5.061 4.527 0.316 0.000 0.314 348 F C -0.199 175.551 175.800 -0.085 0.000 1.069 348 F CA -0.722 57.225 58.000 -0.089 0.000 0.931 348 F CB 1.771 40.722 39.000 -0.081 0.000 1.260 348 F HN 0.387 nan 8.300 nan 0.000 0.465 349 H N 1.355 120.401 119.070 -0.039 0.000 2.736 349 H HA 0.529 5.274 4.556 0.316 0.000 0.271 349 H C 0.340 175.438 175.328 -0.383 0.000 1.184 349 H CA 0.337 56.255 56.048 -0.215 0.000 1.378 349 H CB 0.238 29.861 29.762 -0.232 0.000 1.428 349 H HN 0.830 nan 8.280 nan 0.000 0.500 350 G N 3.927 112.318 108.800 -0.681 0.000 2.531 350 G HA2 -0.439 3.710 3.960 0.315 0.000 0.274 350 G HA3 -0.439 3.710 3.960 0.315 0.000 0.274 350 G C 0.973 175.537 174.900 -0.561 0.000 1.159 350 G CA 0.387 44.730 45.100 -1.262 0.000 0.969 350 G HN 0.569 nan 8.290 nan 0.000 0.554 351 N N 1.588 120.014 118.700 -0.456 0.000 2.216 351 N HA 0.022 4.952 4.740 0.315 0.000 0.183 351 N C 0.836 176.419 175.510 0.121 0.000 1.017 351 N CA 1.350 54.347 53.050 -0.088 0.000 0.861 351 N CB -0.213 38.197 38.487 -0.130 0.000 0.986 351 N HN 0.584 nan 8.380 nan 0.000 0.428 352 E N 1.118 121.326 120.200 0.013 0.000 2.257 352 E HA 0.126 4.665 4.350 0.315 0.000 0.278 352 E C 0.180 176.768 176.600 -0.020 0.000 1.049 352 E CA 0.012 56.427 56.400 0.024 0.000 0.876 352 E CB 0.435 30.125 29.700 -0.016 0.000 1.035 352 E HN 0.164 nan 8.360 nan 0.000 0.419 353 M N 3.681 123.145 119.600 -0.227 0.000 2.249 353 M HA -0.024 4.645 4.480 0.315 0.000 0.340 353 M C 0.778 176.914 176.300 -0.273 0.000 1.166 353 M CA 0.423 55.377 55.300 -0.577 0.000 1.115 353 M CB 0.373 32.653 32.600 -0.533 0.000 1.606 353 M HN 0.525 nan 8.290 nan 0.000 0.448 354 L N 2.117 123.182 121.223 -0.264 0.000 2.477 354 L HA 0.119 4.648 4.340 0.315 0.000 0.220 354 L C 0.416 177.230 176.870 -0.094 0.000 1.106 354 L CA -0.034 54.728 54.840 -0.130 0.000 0.851 354 L CB 0.045 42.038 42.059 -0.109 0.000 0.994 354 L HN 0.960 nan 8.230 nan 0.000 0.462 355 C N -3.305 115.928 119.300 -0.110 0.000 3.275 355 C HA 0.308 4.957 4.460 0.315 0.000 0.340 355 C C -0.566 174.390 174.990 -0.057 0.000 1.366 355 C CA -1.764 57.230 59.018 -0.042 0.000 1.227 355 C CB 1.091 28.853 27.740 0.037 0.000 1.512 355 C HN 0.183 nan 8.230 nan 0.000 0.461 356 K N 0.994 121.379 120.400 -0.023 0.000 2.455 356 K HA 0.331 4.840 4.320 0.315 0.000 0.269 356 K C 0.326 176.926 176.600 -0.001 0.000 0.972 356 K CA 0.996 57.268 56.287 -0.026 0.000 0.938 356 K CB -0.166 32.326 32.500 -0.012 0.000 0.931 356 K HN 1.112 nan 8.250 nan 0.000 0.507 357 T N -1.991 112.561 114.554 -0.003 0.000 2.860 357 T HA 0.355 4.894 4.350 0.315 0.000 0.299 357 T C 0.464 175.168 174.700 0.007 0.000 1.045 357 T CA -0.591 61.533 62.100 0.040 0.000 1.071 357 T CB 0.922 69.835 68.868 0.075 0.000 0.985 357 T HN 0.642 nan 8.240 nan 0.000 0.537 358 V N -1.235 118.665 119.914 -0.023 0.000 2.735 358 V HA 0.822 5.131 4.120 0.315 0.000 0.310 358 V C -0.308 175.752 176.094 -0.055 0.000 1.061 358 V CA -0.849 61.386 62.300 -0.108 0.000 0.913 358 V CB 1.834 33.458 31.823 -0.331 0.000 1.005 358 V HN 1.019 nan 8.190 nan 0.000 0.428 359 S N 2.016 117.694 115.700 -0.037 0.000 2.638 359 S HA 0.684 5.343 4.470 0.315 0.000 0.298 359 S C 0.088 174.666 174.600 -0.037 0.000 1.111 359 S CA -0.332 57.867 58.200 -0.002 0.000 1.027 359 S CB 1.840 65.074 63.200 0.057 0.000 1.064 359 S HN 1.102 nan 8.310 nan 0.000 0.525 360 S N 1.066 116.737 115.700 -0.050 0.000 2.634 360 S HA 0.444 5.103 4.470 0.315 0.000 0.261 360 S C 0.238 174.867 174.600 0.047 0.000 1.271 360 S CA -0.623 57.530 58.200 -0.078 0.000 0.985 360 S CB 0.314 63.379 63.200 -0.226 0.000 0.968 360 S HN 0.811 nan 8.310 nan 0.000 0.568 361 S N 1.021 116.796 115.700 0.125 0.000 2.632 361 S HA 0.389 5.048 4.470 0.315 0.000 0.271 361 S C -0.506 174.243 174.600 0.250 0.000 1.260 361 S CA -0.756 57.545 58.200 0.168 0.000 1.010 361 S CB 0.503 63.801 63.200 0.163 0.000 0.965 361 S HN 0.707 nan 8.310 nan 0.000 0.534 362 E N 0.859 121.168 120.200 0.180 0.000 2.257 362 E HA 0.421 4.960 4.350 0.315 0.000 0.278 362 E C -0.965 175.715 176.600 0.133 0.000 1.049 362 E CA -0.470 56.035 56.400 0.176 0.000 0.876 362 E CB 1.074 30.847 29.700 0.122 0.000 1.035 362 E HN 0.456 nan 8.360 nan 0.000 0.419 363 V N 3.461 123.449 119.914 0.125 0.000 2.656 363 V HA 0.168 4.477 4.120 0.315 0.000 0.307 363 V C -0.022 176.068 176.094 -0.007 0.000 1.051 363 V CA -1.415 60.879 62.300 -0.009 0.000 0.893 363 V CB 1.821 33.522 31.823 -0.204 0.000 0.999 363 V HN 0.613 nan 8.190 nan 0.000 0.426 364 N N 1.689 120.375 118.700 -0.025 0.000 2.329 364 N HA 0.002 4.931 4.740 0.315 0.000 0.237 364 N C 1.339 176.832 175.510 -0.028 0.000 1.258 364 N CA -0.090 52.952 53.050 -0.013 0.000 0.866 364 N CB 0.947 39.422 38.487 -0.020 0.000 1.102 364 N HN 0.467 nan 8.380 nan 0.000 0.440 365 V N 0.463 120.378 119.914 0.001 0.000 2.842 365 V HA -0.259 4.050 4.120 0.315 0.000 0.267 365 V C 1.289 177.364 176.094 -0.031 0.000 1.144 365 V CA 0.615 62.917 62.300 0.003 0.000 1.156 365 V CB -0.828 31.008 31.823 0.021 0.000 0.731 365 V HN 0.844 nan 8.190 nan 0.000 0.509 366 C N 1.195 120.461 119.300 -0.056 0.000 1.461 366 C HA 0.039 4.688 4.460 0.315 0.000 0.458 366 C C 1.736 176.664 174.990 -0.104 0.000 1.473 366 C CA 1.257 60.226 59.018 -0.082 0.000 1.643 366 C CB -2.147 25.529 27.740 -0.107 0.000 3.017 366 C HN 0.868 nan 8.230 nan 0.000 0.581 367 S N 2.087 117.741 115.700 -0.076 0.000 3.330 367 S HA -0.306 4.353 4.470 0.315 0.000 0.630 367 S C 0.476 175.039 174.600 -0.062 0.000 2.776 367 S CA 1.676 59.833 58.200 -0.072 0.000 3.494 367 S CB -0.840 62.307 63.200 -0.088 0.000 0.291 367 S HN 1.986 nan 8.310 nan 0.000 1.451 368 E N 0.384 120.548 120.200 -0.060 0.000 2.416 368 E HA -0.156 4.383 4.350 0.315 0.000 0.249 368 E C -2.226 174.291 176.600 -0.139 0.000 1.124 368 E CA 1.030 57.385 56.400 -0.074 0.000 0.732 368 E CB -0.954 28.712 29.700 -0.056 0.000 1.286 368 E HN 0.372 nan 8.360 nan 0.000 0.394 369 P HA 0.195 nan 4.420 nan 0.000 0.274 369 P C -0.411 176.576 177.300 -0.522 0.000 1.237 369 P CA -0.304 62.521 63.100 -0.459 0.000 0.793 369 P CB 1.296 32.561 31.700 -0.724 0.000 0.977 370 V N 1.487 121.047 119.914 -0.590 0.000 2.735 370 V HA 0.352 4.661 4.120 0.315 0.000 0.310 370 V C 0.367 176.201 176.094 -0.434 0.000 1.061 370 V CA -0.376 61.714 62.300 -0.351 0.000 0.913 370 V CB 2.551 34.267 31.823 -0.179 0.000 1.005 370 V HN 0.735 nan 8.190 nan 0.000 0.428 371 W N 0.063 121.346 121.300 -0.029 0.000 3.792 371 W HA 0.232 5.081 4.660 0.315 0.000 0.217 371 W C 0.687 177.192 176.519 -0.023 0.000 1.098 371 W CA -0.358 56.974 57.345 -0.022 0.000 1.657 371 W CB 0.282 29.729 29.460 -0.020 0.000 0.773 371 W HN 0.559 nan 8.180 nan 0.000 0.836 372 K N 2.335 122.861 120.400 0.209 0.000 4.166 372 K HA -0.220 4.289 4.320 0.315 0.000 0.276 372 K C -0.208 176.446 176.600 0.090 0.000 0.808 372 K CA 0.678 57.027 56.287 0.104 0.000 0.717 372 K CB -0.956 31.568 32.500 0.040 0.000 1.774 372 K HN 0.088 nan 8.250 nan 0.000 0.427 373 Q N 1.136 120.998 119.800 0.103 0.000 2.372 373 Q HA 0.331 4.861 4.340 0.315 0.000 0.273 373 Q C -0.240 175.775 176.000 0.025 0.000 1.078 373 Q CA -0.994 54.845 55.803 0.061 0.000 0.806 373 Q CB 1.829 30.616 28.738 0.081 0.000 1.332 373 Q HN 0.128 nan 8.270 nan 0.000 0.435 374 R N 1.546 122.047 120.500 0.002 0.000 2.389 374 R HA 0.385 4.914 4.340 0.315 0.000 0.295 374 R C -0.204 176.069 176.300 -0.044 0.000 1.075 374 R CA -0.186 55.905 56.100 -0.016 0.000 1.005 374 R CB -0.138 30.146 30.300 -0.026 0.000 0.987 374 R HN 0.488 nan 8.270 nan 0.000 0.452 375 L N 2.399 123.587 121.223 -0.059 0.000 2.280 375 L HA 0.341 4.870 4.340 0.315 0.000 0.287 375 L C 0.508 177.243 176.870 -0.224 0.000 1.023 375 L CA -0.347 54.396 54.840 -0.162 0.000 0.819 375 L CB 1.321 43.285 42.059 -0.159 0.000 1.212 375 L HN 0.477 nan 8.230 nan 0.000 0.420 376 E N 3.092 123.140 120.200 -0.253 0.000 2.175 376 E HA 0.436 4.975 4.350 0.315 0.000 0.278 376 E C -1.380 175.065 176.600 -0.258 0.000 0.969 376 E CA -0.685 55.620 56.400 -0.160 0.000 0.796 376 E CB 1.266 30.925 29.700 -0.068 0.000 1.104 376 E HN 0.261 nan 8.360 nan 0.000 0.395 377 F N 2.038 122.035 119.950 0.078 0.000 2.399 377 F HA 0.138 4.855 4.527 0.315 0.000 0.334 377 F C 0.789 176.628 175.800 0.064 0.000 1.097 377 F CA -0.730 57.325 58.000 0.092 0.000 1.076 377 F CB 1.114 40.221 39.000 0.178 0.000 1.162 377 F HN 0.415 nan 8.300 nan 0.000 0.495 378 D N 4.023 124.543 120.400 0.201 0.000 2.994 378 D HA 0.257 5.086 4.640 0.315 0.000 0.240 378 D C -0.766 175.601 176.300 0.111 0.000 1.195 378 D CA 0.353 54.418 54.000 0.108 0.000 0.957 378 D CB -0.422 40.409 40.800 0.052 0.000 1.105 378 D HN 0.463 nan 8.370 nan 0.000 0.477 379 I N -0.594 120.062 120.570 0.145 0.000 2.908 379 I HA 0.246 4.605 4.170 0.315 0.000 0.300 379 I C -1.256 174.938 176.117 0.129 0.000 1.385 379 I CA -0.655 60.709 61.300 0.106 0.000 1.004 379 I CB 1.888 39.931 38.000 0.072 0.000 1.309 379 I HN -0.044 nan 8.210 nan 0.000 0.449 380 S N 3.436 119.195 115.700 0.098 0.000 2.586 380 S HA 0.311 4.971 4.470 0.315 0.000 0.274 380 S C 0.896 175.561 174.600 0.108 0.000 1.281 380 S CA -0.452 57.805 58.200 0.095 0.000 1.035 380 S CB 1.682 64.921 63.200 0.065 0.000 0.962 380 S HN 0.489 nan 8.310 nan 0.000 0.512 381 V N 3.619 123.600 119.914 0.113 0.000 2.490 381 V HA -0.168 4.141 4.120 0.315 0.000 0.250 381 V C 2.464 178.612 176.094 0.090 0.000 1.061 381 V CA 2.053 64.432 62.300 0.133 0.000 1.064 381 V CB -1.060 30.846 31.823 0.139 0.000 0.670 381 V HN 1.096 nan 8.190 nan 0.000 0.461 382 C N -1.292 118.025 119.300 0.028 0.000 2.491 382 C HA 0.032 4.681 4.460 0.315 0.000 0.277 382 C C 1.613 176.603 174.990 0.000 0.000 1.455 382 C CA 0.042 59.030 59.018 -0.050 0.000 1.758 382 C CB -1.122 26.510 27.740 -0.179 0.000 1.745 382 C HN 0.514 nan 8.230 nan 0.000 0.558 383 D N 0.836 121.312 120.400 0.126 0.000 2.369 383 D HA 0.232 5.061 4.640 0.315 0.000 0.211 383 D C 0.421 176.835 176.300 0.190 0.000 1.077 383 D CA 0.110 54.234 54.000 0.206 0.000 0.842 383 D CB 0.076 40.982 40.800 0.178 0.000 0.947 383 D HN 0.546 nan 8.370 nan 0.000 0.509 384 L N 3.916 125.256 121.223 0.194 0.000 2.456 384 L HA 0.155 4.684 4.340 0.315 0.000 0.277 384 L C -1.794 175.336 176.870 0.432 0.000 1.124 384 L CA -1.198 53.777 54.840 0.226 0.000 0.880 384 L CB 0.033 42.196 42.059 0.173 0.000 1.192 384 L HN -0.193 nan 8.230 nan 0.000 0.463 385 P HA 0.032 nan 4.420 nan 0.000 0.273 385 P C 0.262 177.662 177.300 0.167 0.000 1.250 385 P CA -0.594 62.727 63.100 0.369 0.000 0.793 385 P CB 0.842 32.687 31.700 0.243 0.000 1.011 386 R N 1.215 121.431 120.500 -0.475 0.000 2.139 386 R HA -0.066 4.463 4.340 0.315 0.000 0.243 386 R C 1.535 177.683 176.300 -0.253 0.000 1.145 386 R CA 1.903 57.373 56.100 -1.050 0.000 0.976 386 R CB -0.788 28.711 30.300 -1.336 0.000 0.866 386 R HN 0.378 nan 8.270 nan 0.000 0.449 387 M N 0.264 119.832 119.600 -0.052 0.000 2.549 387 M HA 0.356 5.026 4.480 0.315 0.000 0.273 387 M C -0.169 176.154 176.300 0.038 0.000 1.213 387 M CA -0.469 54.821 55.300 -0.017 0.000 0.976 387 M CB -0.196 32.299 32.600 -0.176 0.000 1.457 387 M HN 0.082 nan 8.290 nan 0.000 0.485 388 A N 1.775 124.685 122.820 0.151 0.000 2.524 388 A HA 0.258 4.768 4.320 0.315 0.000 0.250 388 A C 0.372 177.961 177.584 0.009 0.000 1.078 388 A CA 0.192 52.279 52.037 0.084 0.000 0.761 388 A CB 0.057 19.093 19.000 0.059 0.000 1.012 388 A HN 0.572 nan 8.150 nan 0.000 0.500 389 R N 2.662 123.146 120.500 -0.026 0.000 2.409 389 R HA 0.488 5.017 4.340 0.315 0.000 0.313 389 R C -1.467 174.803 176.300 -0.050 0.000 0.953 389 R CA -0.725 55.363 56.100 -0.019 0.000 0.849 389 R CB 0.904 31.214 30.300 0.016 0.000 1.171 389 R HN 0.653 nan 8.270 nan 0.000 0.458 390 L N 5.755 126.920 121.223 -0.096 0.000 2.257 390 L HA 0.417 4.946 4.340 0.315 0.000 0.290 390 L C -1.276 175.495 176.870 -0.165 0.000 1.044 390 L CA -0.203 54.522 54.840 -0.193 0.000 0.810 390 L CB 0.866 42.785 42.059 -0.233 0.000 1.193 390 L HN 0.681 nan 8.230 nan 0.000 0.425 391 C N 5.114 124.314 119.300 -0.166 0.000 2.355 391 C HA 0.640 5.289 4.460 0.315 0.000 0.332 391 C C -0.281 174.561 174.990 -0.248 0.000 1.255 391 C CA -0.662 58.311 59.018 -0.074 0.000 1.792 391 C CB 0.280 28.038 27.740 0.029 0.000 2.300 391 C HN 0.692 nan 8.230 nan 0.000 0.515 392 F N 1.447 121.503 119.950 0.176 0.000 2.546 392 F HA 0.695 5.411 4.527 0.315 0.000 0.320 392 F C 0.390 176.273 175.800 0.140 0.000 1.076 392 F CA -0.420 57.653 58.000 0.122 0.000 0.928 392 F CB 1.380 40.415 39.000 0.058 0.000 1.189 392 F HN 0.679 nan 8.300 nan 0.000 0.465 393 A N 2.858 125.825 122.820 0.245 0.000 2.393 393 A HA 0.790 5.299 4.320 0.315 0.000 0.306 393 A C -2.031 175.451 177.584 -0.170 0.000 1.050 393 A CA -0.637 51.480 52.037 0.133 0.000 0.724 393 A CB 1.515 20.632 19.000 0.194 0.000 1.248 393 A HN 0.754 nan 8.150 nan 0.000 0.424 394 L N 3.440 124.590 121.223 -0.121 0.000 2.325 394 L HA 0.859 5.388 4.340 0.315 0.000 0.281 394 L C -1.145 175.666 176.870 -0.098 0.000 1.004 394 L CA -0.269 54.436 54.840 -0.226 0.000 0.823 394 L CB 0.895 42.921 42.059 -0.056 0.000 1.236 394 L HN 0.757 nan 8.230 nan 0.000 0.415 395 Y N 3.074 123.448 120.300 0.123 0.000 2.818 395 Y HA 0.969 5.708 4.550 0.315 0.000 0.322 395 Y C -0.787 175.179 175.900 0.111 0.000 1.323 395 Y CA -1.311 56.856 58.100 0.113 0.000 1.090 395 Y CB 0.666 39.187 38.460 0.101 0.000 1.328 395 Y HN 0.665 nan 8.280 nan 0.000 0.482 396 A N 0.392 123.436 122.820 0.373 0.000 2.401 396 A HA 0.876 5.385 4.320 0.315 0.000 0.310 396 A C -1.638 176.052 177.584 0.177 0.000 1.075 396 A CA -0.813 51.370 52.037 0.243 0.000 0.746 396 A CB 1.797 20.893 19.000 0.160 0.000 1.277 396 A HN 1.029 nan 8.150 nan 0.000 0.425 397 V N 1.469 121.468 119.914 0.143 0.000 3.216 397 V HA 0.487 4.796 4.120 0.315 0.000 0.302 397 V C -0.100 176.037 176.094 0.072 0.000 1.286 397 V CA -0.454 61.896 62.300 0.084 0.000 1.048 397 V CB 2.329 34.190 31.823 0.064 0.000 1.081 397 V HN 0.963 nan 8.190 nan 0.000 0.442 416 C N 3.184 122.498 119.300 0.023 0.000 2.654 416 C HA 0.501 5.150 4.460 0.315 0.000 0.315 416 C C -2.639 172.443 174.990 0.155 0.000 1.054 416 C CA -1.482 57.584 59.018 0.080 0.000 1.419 416 C CB 0.033 27.823 27.740 0.082 0.000 1.889 416 C HN 0.302 nan 8.230 nan 0.000 0.447 417 P HA 0.319 nan 4.420 nan 0.000 0.268 417 P C 0.249 177.671 177.300 0.202 0.000 1.204 417 P CA 0.358 63.596 63.100 0.230 0.000 0.768 417 P CB 0.749 32.559 31.700 0.183 0.000 0.842 418 I N 1.322 122.023 120.570 0.219 0.000 3.673 418 I HA 0.375 4.734 4.170 0.315 0.000 0.281 418 I C 0.696 176.911 176.117 0.164 0.000 1.182 418 I CA 0.375 61.773 61.300 0.164 0.000 1.391 418 I CB 0.315 38.397 38.000 0.138 0.000 1.383 418 I HN 0.328 nan 8.210 nan 0.000 0.456 419 A N 0.333 123.267 122.820 0.190 0.000 2.586 419 A HA 0.591 5.100 4.320 0.315 0.000 0.291 419 A C -2.238 175.509 177.584 0.271 0.000 1.062 419 A CA -0.584 51.555 52.037 0.169 0.000 0.666 419 A CB 0.869 19.895 19.000 0.043 0.000 1.281 419 A HN 0.291 nan 8.150 nan 0.000 0.421 420 W N -0.647 120.744 121.300 0.152 0.000 3.062 420 W HA 0.867 5.716 4.660 0.315 0.000 0.336 420 W C -0.729 175.930 176.519 0.233 0.000 1.224 420 W CA -0.758 56.686 57.345 0.166 0.000 1.159 420 W CB 1.377 30.920 29.460 0.138 0.000 1.454 420 W HN 1.889 nan 8.180 nan 0.000 0.569 421 A N 2.412 125.540 122.820 0.515 0.000 2.582 421 A HA 0.566 5.075 4.320 0.315 0.000 0.297 421 A C -1.754 176.144 177.584 0.524 0.000 1.059 421 A CA -0.795 51.456 52.037 0.356 0.000 0.705 421 A CB 1.382 20.446 19.000 0.106 0.000 1.279 421 A HN 0.582 nan 8.150 nan 0.000 0.404 422 N N 0.695 119.666 118.700 0.451 0.000 2.240 422 N HA 0.792 5.722 4.740 0.315 0.000 0.302 422 N C -1.240 174.411 175.510 0.235 0.000 1.106 422 N CA -0.477 52.769 53.050 0.327 0.000 0.778 422 N CB 2.133 40.775 38.487 0.258 0.000 1.431 422 N HN 0.763 nan 8.380 nan 0.000 0.479 423 L N -1.603 119.728 121.223 0.180 0.000 2.424 423 L HA 0.658 5.187 4.340 0.315 0.000 0.258 423 L C -0.438 176.474 176.870 0.071 0.000 0.995 423 L CA -0.962 53.953 54.840 0.126 0.000 0.821 423 L CB 0.420 42.568 42.059 0.148 0.000 1.383 423 L HN 0.273 nan 8.230 nan 0.000 0.410 424 M N 2.032 121.666 119.600 0.057 0.000 2.242 424 M HA 0.332 5.001 4.480 0.315 0.000 0.344 424 M C 1.145 177.497 176.300 0.086 0.000 1.140 424 M CA -0.038 55.303 55.300 0.068 0.000 1.160 424 M CB 1.043 33.698 32.600 0.092 0.000 1.491 424 M HN 0.749 nan 8.290 nan 0.000 0.459 425 L N 1.124 122.364 121.223 0.029 0.000 2.341 425 L HA 0.092 4.621 4.340 0.315 0.000 0.214 425 L C 0.050 176.766 176.870 -0.257 0.000 1.115 425 L CA 0.666 55.420 54.840 -0.144 0.000 0.820 425 L CB -0.032 41.813 42.059 -0.356 0.000 0.944 425 L HN 0.448 nan 8.230 nan 0.000 0.452 426 F N 0.428 120.452 119.950 0.123 0.000 2.443 426 F HA 0.207 4.924 4.527 0.315 0.000 0.335 426 F C 0.686 176.613 175.800 0.211 0.000 1.104 426 F CA -1.686 56.395 58.000 0.136 0.000 1.013 426 F CB 0.791 39.864 39.000 0.122 0.000 1.136 426 F HN -0.037 nan 8.300 nan 0.000 0.470 427 D N 1.618 122.205 120.400 0.312 0.000 2.356 427 D HA -0.116 4.713 4.640 0.315 0.000 0.258 427 D C 0.948 177.301 176.300 0.089 0.000 1.279 427 D CA -0.204 53.981 54.000 0.308 0.000 1.016 427 D CB -0.035 40.906 40.800 0.235 0.000 1.107 427 D HN 0.637 nan 8.370 nan 0.000 0.544 428 Y N -1.810 118.373 120.300 -0.195 0.000 2.571 428 Y HA 0.192 4.931 4.550 0.316 0.000 0.294 428 Y C 1.212 176.950 175.900 -0.271 0.000 1.141 428 Y CA 0.485 58.243 58.100 -0.569 0.000 1.308 428 Y CB -0.290 37.998 38.460 -0.286 0.000 1.002 428 Y HN 0.066 nan 8.280 nan 0.000 0.551 429 K N 0.880 120.929 120.400 -0.585 0.000 2.500 429 K HA 0.046 4.555 4.320 0.315 0.000 0.206 429 K C -0.463 176.141 176.600 0.007 0.000 1.034 429 K CA 0.661 56.722 56.287 -0.378 0.000 1.179 429 K CB -0.092 32.173 32.500 -0.393 0.000 0.884 429 K HN 0.368 nan 8.250 nan 0.000 0.493 430 D N 0.011 120.418 120.400 0.011 0.000 2.946 430 D HA -0.227 4.602 4.640 0.315 0.000 0.202 430 D C 0.291 176.821 176.300 0.384 0.000 1.068 430 D CA 1.048 55.145 54.000 0.161 0.000 1.011 430 D CB -0.956 39.936 40.800 0.154 0.000 1.105 430 D HN 0.406 nan 8.370 nan 0.000 0.425 431 Q N 0.424 120.372 119.800 0.247 0.000 2.304 431 Q HA 0.372 4.902 4.340 0.315 0.000 0.260 431 Q C -0.058 176.027 176.000 0.141 0.000 0.965 431 Q CA -0.655 55.095 55.803 -0.089 0.000 0.898 431 Q CB 0.769 29.306 28.738 -0.334 0.000 1.196 431 Q HN 0.287 nan 8.270 nan 0.000 0.402 432 L N 3.927 125.203 121.223 0.089 0.000 2.485 432 L HA 0.078 4.607 4.340 0.315 0.000 0.275 432 L C -0.559 176.221 176.870 -0.149 0.000 1.207 432 L CA 0.804 55.515 54.840 -0.216 0.000 0.855 432 L CB 0.459 42.358 42.059 -0.267 0.000 1.114 432 L HN 0.570 nan 8.230 nan 0.000 0.485 433 K N 2.940 123.249 120.400 -0.152 0.000 2.205 433 K HA 0.521 5.030 4.320 0.315 0.000 0.279 433 K C -0.370 176.173 176.600 -0.095 0.000 1.027 433 K CA -0.162 56.080 56.287 -0.075 0.000 0.932 433 K CB 1.000 33.483 32.500 -0.027 0.000 1.032 433 K HN 0.827 nan 8.250 nan 0.000 0.466 434 T N -1.664 112.821 114.554 -0.115 0.000 2.802 434 T HA 0.462 5.001 4.350 0.315 0.000 0.311 434 T C 0.414 174.990 174.700 -0.207 0.000 1.405 434 T CA -0.727 61.251 62.100 -0.204 0.000 1.016 434 T CB 1.684 70.445 68.868 -0.177 0.000 1.352 434 T HN 0.494 nan 8.240 nan 0.000 0.498 435 G N -0.061 108.534 108.800 -0.342 0.000 2.764 435 G HA2 0.303 4.452 3.960 0.315 0.000 0.218 435 G HA3 0.303 4.452 3.960 0.315 0.000 0.218 435 G C 0.138 174.521 174.900 -0.862 0.000 1.304 435 G CA -0.097 44.481 45.100 -0.870 0.000 0.847 435 G HN 0.974 nan 8.290 nan 0.000 0.610 436 E N 0.643 120.559 120.200 -0.474 0.000 2.316 436 E HA 0.476 5.015 4.350 0.315 0.000 0.275 436 E C -0.596 175.963 176.600 -0.068 0.000 1.029 436 E CA -0.369 55.975 56.400 -0.092 0.000 0.871 436 E CB 0.625 30.410 29.700 0.142 0.000 1.022 436 E HN 0.014 nan 8.360 nan 0.000 0.418 437 R N 2.553 123.022 120.500 -0.050 0.000 2.740 437 R HA 0.420 4.949 4.340 0.315 0.000 0.282 437 R C -1.509 174.732 176.300 -0.099 0.000 0.969 437 R CA -0.466 55.601 56.100 -0.056 0.000 0.918 437 R CB 1.900 32.177 30.300 -0.038 0.000 1.175 437 R HN 0.573 nan 8.270 nan 0.000 0.464 438 C N 4.492 123.707 119.300 -0.143 0.000 2.298 438 C HA 0.618 5.268 4.460 0.315 0.000 0.323 438 C C -0.976 173.758 174.990 -0.426 0.000 1.284 438 C CA -0.657 58.184 59.018 -0.295 0.000 1.577 438 C CB -0.497 27.058 27.740 -0.308 0.000 2.249 438 C HN 0.690 nan 8.230 nan 0.000 0.497 439 L N 6.858 127.791 121.223 -0.483 0.000 2.318 439 L HA 0.397 4.926 4.340 0.315 0.000 0.277 439 L C -1.058 175.517 176.870 -0.492 0.000 1.008 439 L CA -0.415 54.193 54.840 -0.388 0.000 0.846 439 L CB 0.713 42.611 42.059 -0.269 0.000 1.220 439 L HN 0.638 nan 8.230 nan 0.000 0.423 440 Y N 3.780 123.942 120.300 -0.228 0.000 2.404 440 Y HA 0.351 5.090 4.550 0.316 0.000 0.344 440 Y C 0.569 176.165 175.900 -0.507 0.000 0.995 440 Y CA -0.263 57.640 58.100 -0.329 0.000 1.201 440 Y CB 0.619 38.873 38.460 -0.344 0.000 1.151 440 Y HN 0.442 nan 8.280 nan 0.000 0.517 441 M N 2.750 122.158 119.600 -0.321 0.000 2.342 441 M HA 0.285 4.954 4.480 0.315 0.000 0.332 441 M C -1.000 174.968 176.300 -0.553 0.000 1.166 441 M CA -0.498 54.557 55.300 -0.408 0.000 1.086 441 M CB 1.167 33.640 32.600 -0.212 0.000 1.541 441 M HN 0.586 nan 8.290 nan 0.000 0.462 442 W N 2.172 123.102 121.300 -0.617 0.000 2.438 442 W HA 0.429 5.278 4.660 0.315 0.000 0.324 442 W C -2.157 174.139 176.519 -0.371 0.000 1.119 442 W CA -1.514 55.465 57.345 -0.610 0.000 1.221 442 W CB 0.120 28.927 29.460 -1.089 0.000 1.253 442 W HN 0.286 nan 8.180 nan 0.000 0.555 443 P HA 0.214 nan 4.420 nan 0.000 0.282 443 P C -0.411 177.050 177.300 0.269 0.000 1.249 443 P CA -0.345 62.843 63.100 0.147 0.000 0.806 443 P CB 1.280 33.047 31.700 0.112 0.000 0.984 444 S N 0.864 116.726 115.700 0.270 0.000 2.632 444 S HA 0.215 4.875 4.470 0.315 0.000 0.271 444 S C 0.667 175.385 174.600 0.196 0.000 1.260 444 S CA -0.635 57.751 58.200 0.310 0.000 1.010 444 S CB 0.670 64.045 63.200 0.291 0.000 0.965 444 S HN 0.430 nan 8.310 nan 0.000 0.534 453 L N 2.046 123.320 121.223 0.085 0.000 2.349 453 L HA 0.676 5.206 4.340 0.315 0.000 0.275 453 L C 0.334 177.076 176.870 -0.213 0.000 1.115 453 L CA 0.060 54.904 54.840 0.005 0.000 0.820 453 L CB 0.980 43.096 42.059 0.096 0.000 1.135 453 L HN 0.566 nan 8.230 nan 0.000 0.445 454 N N 4.564 123.060 118.700 -0.341 0.000 2.818 454 N HA 0.309 5.238 4.740 0.315 0.000 0.301 454 N C -1.904 173.258 175.510 -0.580 0.000 1.821 454 N CA -1.584 51.116 53.050 -0.584 0.000 0.930 454 N CB 0.843 38.680 38.487 -1.083 0.000 1.263 454 N HN 0.245 nan 8.380 nan 0.000 0.487 455 P HA -0.162 nan 4.420 nan 0.000 0.216 455 P C 0.857 177.956 177.300 -0.336 0.000 1.150 455 P CA 1.004 63.765 63.100 -0.564 0.000 0.843 455 P CB 0.264 31.438 31.700 -0.876 0.000 0.787 456 A N -0.091 122.436 122.820 -0.488 0.000 2.167 456 A HA 0.220 4.729 4.320 0.315 0.000 0.214 456 A C 1.545 178.776 177.584 -0.589 0.000 1.151 456 A CA 0.640 52.184 52.037 -0.822 0.000 0.735 456 A CB -1.326 17.233 19.000 -0.735 0.000 0.802 456 A HN 0.317 nan 8.150 nan 0.000 0.467 457 G N -0.821 107.640 108.800 -0.565 0.000 2.594 457 G HA2 0.349 4.498 3.960 0.315 0.000 0.243 457 G HA3 0.349 4.498 3.960 0.315 0.000 0.243 457 G C 0.316 175.156 174.900 -0.099 0.000 1.229 457 G CA 0.487 45.300 45.100 -0.478 0.000 0.843 457 G HN 0.204 nan 8.290 nan 0.000 0.578 458 T N -1.209 113.352 114.554 0.012 0.000 2.908 458 T HA 0.097 4.636 4.350 0.315 0.000 0.325 458 T C 1.432 176.215 174.700 0.139 0.000 1.092 458 T CA 0.445 62.547 62.100 0.003 0.000 1.125 458 T CB 0.481 69.294 68.868 -0.091 0.000 1.016 458 T HN 1.011 nan 8.240 nan 0.000 0.550 459 V N 2.517 122.469 119.914 0.064 0.000 3.249 459 V HA 0.490 4.799 4.120 0.315 0.000 0.338 459 V C 0.581 176.736 176.094 0.102 0.000 1.363 459 V CA -0.344 62.008 62.300 0.087 0.000 1.205 459 V CB -0.921 30.897 31.823 -0.010 0.000 1.164 459 V HN 0.690 nan 8.190 nan 0.000 0.458 460 R N 0.480 121.069 120.500 0.149 0.000 2.637 460 R HA 0.686 5.215 4.340 0.315 0.000 0.291 460 R C 0.653 177.117 176.300 0.275 0.000 0.963 460 R CA -0.112 56.083 56.100 0.158 0.000 0.901 460 R CB 1.813 32.175 30.300 0.104 0.000 1.160 460 R HN 0.468 nan 8.270 nan 0.000 0.457 461 G N 1.714 110.596 108.800 0.136 0.000 2.667 461 G HA2 -0.074 4.075 3.960 0.315 0.000 0.250 461 G HA3 -0.074 4.075 3.960 0.315 0.000 0.250 461 G C -0.351 174.368 174.900 -0.302 0.000 1.212 461 G CA -0.475 44.608 45.100 -0.027 0.000 0.874 461 G HN 0.633 nan 8.290 nan 0.000 0.561 462 N N 0.920 119.052 118.700 -0.947 0.000 2.447 462 N HA 0.069 4.998 4.740 0.315 0.000 0.263 462 N C -0.965 174.170 175.510 -0.625 0.000 1.226 462 N CA -1.621 50.615 53.050 -1.355 0.000 0.906 462 N CB 1.596 39.277 38.487 -1.343 0.000 1.060 462 N HN 0.092 nan 8.380 nan 0.000 0.468 463 P HA -0.067 nan 4.420 nan 0.000 0.225 463 P C 0.176 177.294 177.300 -0.302 0.000 1.156 463 P CA 0.585 63.515 63.100 -0.284 0.000 0.787 463 P CB 0.220 31.840 31.700 -0.135 0.000 0.802 464 N N 1.213 119.729 118.700 -0.306 0.000 3.103 464 N HA -0.011 4.918 4.740 0.315 0.000 0.305 464 N C 0.952 176.276 175.510 -0.310 0.000 1.232 464 N CA 0.302 53.205 53.050 -0.245 0.000 1.190 464 N CB -0.514 37.869 38.487 -0.174 0.000 1.461 464 N HN 0.064 nan 8.380 nan 0.000 0.538 465 T N -1.900 112.404 114.554 -0.417 0.000 2.962 465 T HA -0.141 4.398 4.350 0.315 0.000 0.270 465 T C 1.405 175.942 174.700 -0.272 0.000 1.088 465 T CA 0.923 62.678 62.100 -0.575 0.000 1.127 465 T CB -0.036 68.275 68.868 -0.928 0.000 0.883 465 T HN 0.539 nan 8.240 nan 0.000 0.493 466 E N 0.922 121.010 120.200 -0.187 0.000 2.058 466 E HA -0.173 4.367 4.350 0.315 0.000 0.194 466 E C 2.107 178.663 176.600 -0.072 0.000 0.997 466 E CA 1.509 57.846 56.400 -0.104 0.000 0.801 466 E CB -0.285 29.364 29.700 -0.084 0.000 0.746 466 E HN 0.522 nan 8.360 nan 0.000 0.450 467 S N -1.029 114.621 115.700 -0.084 0.000 2.524 467 S HA 0.368 5.028 4.470 0.315 0.000 0.222 467 S C 0.202 174.769 174.600 -0.055 0.000 1.040 467 S CA 0.126 58.292 58.200 -0.056 0.000 0.915 467 S CB 0.501 63.670 63.200 -0.051 0.000 0.831 467 S HN 0.457 nan 8.310 nan 0.000 0.492 468 A N 1.978 124.746 122.820 -0.088 0.000 2.540 468 A HA 0.590 5.099 4.320 0.315 0.000 0.239 468 A C 0.559 178.137 177.584 -0.010 0.000 1.061 468 A CA 0.183 52.169 52.037 -0.084 0.000 0.758 468 A CB -0.217 18.689 19.000 -0.157 0.000 0.991 468 A HN 0.602 nan 8.150 nan 0.000 0.502 469 A N 1.981 124.779 122.820 -0.037 0.000 2.546 469 A HA 0.481 4.990 4.320 0.315 0.000 0.243 469 A C 0.758 178.307 177.584 -0.058 0.000 1.063 469 A CA 0.610 52.629 52.037 -0.030 0.000 0.757 469 A CB -0.390 18.592 19.000 -0.030 0.000 0.991 469 A HN 2.171 nan 8.150 nan 0.000 0.503 470 A N 2.482 125.258 122.820 -0.074 0.000 2.337 470 A HA 0.779 5.288 4.320 0.315 0.000 0.331 470 A C -0.564 176.900 177.584 -0.201 0.000 1.137 470 A CA -0.550 51.355 52.037 -0.220 0.000 0.807 470 A CB 1.025 19.857 19.000 -0.281 0.000 1.250 470 A HN 0.922 nan 8.150 nan 0.000 0.468 471 L N 1.956 123.003 121.223 -0.293 0.000 2.409 471 L HA 0.536 5.065 4.340 0.315 0.000 0.272 471 L C -0.878 175.838 176.870 -0.257 0.000 0.980 471 L CA -0.988 53.703 54.840 -0.249 0.000 0.826 471 L CB 2.178 44.026 42.059 -0.351 0.000 1.268 471 L HN 0.651 nan 8.230 nan 0.000 0.407 472 V N 2.711 122.532 119.914 -0.156 0.000 2.394 472 V HA 0.648 4.957 4.120 0.315 0.000 0.282 472 V C -0.090 175.955 176.094 -0.082 0.000 1.031 472 V CA -0.549 61.683 62.300 -0.113 0.000 0.881 472 V CB 1.112 32.903 31.823 -0.053 0.000 0.982 472 V HN 0.661 nan 8.190 nan 0.000 0.451 473 I N 1.835 122.361 120.570 -0.073 0.000 3.170 473 I HA 0.743 5.102 4.170 0.315 0.000 0.312 473 I C -1.304 174.874 176.117 0.101 0.000 1.085 473 I CA -1.315 59.983 61.300 -0.004 0.000 0.999 473 I CB 2.440 40.418 38.000 -0.036 0.000 1.233 473 I HN 0.617 nan 8.210 nan 0.000 0.467 474 Y N 3.350 123.648 120.300 -0.004 0.000 2.349 474 Y HA 0.539 5.278 4.550 0.315 0.000 0.324 474 Y C -1.242 174.653 175.900 -0.008 0.000 1.005 474 Y CA -0.981 57.116 58.100 -0.005 0.000 1.240 474 Y CB 1.261 39.713 38.460 -0.013 0.000 1.117 474 Y HN 0.441 nan 8.280 nan 0.000 0.463 475 L N 8.833 129.920 121.223 -0.227 0.000 2.418 475 L HA 0.273 4.802 4.340 0.315 0.000 0.274 475 L C -2.196 174.495 176.870 -0.299 0.000 1.135 475 L CA -2.407 52.316 54.840 -0.195 0.000 0.870 475 L CB -0.089 41.887 42.059 -0.138 0.000 1.154 475 L HN 0.506 nan 8.230 nan 0.000 0.462 476 P HA 0.153 nan 4.420 nan 0.000 0.284 476 P C -0.769 176.526 177.300 -0.009 0.000 1.253 476 P CA -0.634 62.511 63.100 0.075 0.000 0.800 476 P CB 0.530 32.264 31.700 0.057 0.000 0.961 477 E N 1.215 121.442 120.200 0.045 0.000 2.059 477 E HA 0.053 4.592 4.350 0.315 0.000 0.262 477 E C 0.851 177.456 176.600 0.009 0.000 1.230 477 E CA -0.270 56.137 56.400 0.011 0.000 0.951 477 E CB -0.001 29.723 29.700 0.041 0.000 1.038 477 E HN 0.279 nan 8.360 nan 0.000 0.425 478 V N 0.610 120.518 119.914 -0.010 0.000 3.564 478 V HA 0.204 4.513 4.120 0.315 0.000 0.283 478 V C 0.508 176.600 176.094 -0.003 0.000 1.227 478 V CA 0.357 62.653 62.300 -0.007 0.000 1.217 478 V CB -1.089 30.731 31.823 -0.005 0.000 0.994 478 V HN 0.486 nan 8.190 nan 0.000 0.446 483 V N -0.408 119.408 119.914 -0.162 0.000 2.769 483 V HA 0.876 5.186 4.120 0.315 0.000 0.312 483 V C -1.336 174.642 176.094 -0.192 0.000 1.061 483 V CA -0.635 61.623 62.300 -0.069 0.000 0.931 483 V CB 2.145 33.987 31.823 0.033 0.000 1.010 483 V HN 0.444 nan 8.190 nan 0.000 0.433 484 Y N 2.432 122.831 120.300 0.164 0.000 2.536 484 Y HA 0.600 5.340 4.550 0.315 0.000 0.347 484 Y C -0.289 175.702 175.900 0.152 0.000 1.000 484 Y CA -1.021 57.188 58.100 0.181 0.000 1.051 484 Y CB 2.131 40.653 38.460 0.102 0.000 1.259 484 Y HN 0.801 nan 8.280 nan 0.000 0.468 485 F N 4.749 124.778 119.950 0.131 0.000 2.543 485 F HA 0.293 5.009 4.527 0.316 0.000 0.375 485 F C -1.898 173.926 175.800 0.039 0.000 1.075 485 F CA -1.784 56.169 58.000 -0.079 0.000 1.225 485 F CB 0.424 39.171 39.000 -0.421 0.000 1.099 485 F HN 0.280 nan 8.300 nan 0.000 0.561 486 P HA 0.114 nan 4.420 nan 0.000 0.265 486 P C -0.935 176.438 177.300 0.120 0.000 1.193 486 P CA -0.140 62.937 63.100 -0.039 0.000 0.765 486 P CB 0.503 32.111 31.700 -0.153 0.000 0.823 487 A N 2.643 125.524 122.820 0.101 0.000 2.448 487 A HA 0.023 4.532 4.320 0.315 0.000 0.239 487 A C 1.429 179.093 177.584 0.134 0.000 1.080 487 A CA -0.285 51.829 52.037 0.129 0.000 0.779 487 A CB -0.314 18.727 19.000 0.068 0.000 1.026 487 A HN 0.630 nan 8.150 nan 0.000 0.499 488 L N 0.844 122.163 121.223 0.159 0.000 2.051 488 L HA -0.258 4.271 4.340 0.315 0.000 0.214 488 L C 2.564 179.454 176.870 0.033 0.000 1.076 488 L CA 2.951 57.836 54.840 0.075 0.000 0.758 488 L CB -0.948 41.137 42.059 0.045 0.000 0.890 488 L HN 0.983 nan 8.230 nan 0.000 0.433 489 E N -1.425 118.797 120.200 0.036 0.000 2.097 489 E HA -0.263 4.276 4.350 0.315 0.000 0.196 489 E C 1.952 178.553 176.600 0.002 0.000 1.000 489 E CA 1.469 57.880 56.400 0.018 0.000 0.804 489 E CB -0.421 29.287 29.700 0.014 0.000 0.740 489 E HN 0.367 nan 8.360 nan 0.000 0.454 490 K N 0.206 120.608 120.400 0.002 0.000 2.155 490 K HA -0.039 4.470 4.320 0.315 0.000 0.203 490 K C 2.181 178.769 176.600 -0.019 0.000 1.052 490 K CA 0.692 56.964 56.287 -0.024 0.000 0.948 490 K CB -0.089 32.392 32.500 -0.031 0.000 0.728 490 K HN 0.277 nan 8.250 nan 0.000 0.448 491 I N 1.506 122.089 120.570 0.021 0.000 2.142 491 I HA -0.248 4.111 4.170 0.315 0.000 0.240 491 I C 2.429 178.559 176.117 0.021 0.000 1.078 491 I CA 1.244 62.569 61.300 0.042 0.000 1.343 491 I CB -1.175 36.874 38.000 0.083 0.000 1.046 491 I HN 0.077 nan 8.210 nan 0.000 0.405 492 L N 0.275 121.512 121.223 0.024 0.000 2.042 492 L HA -0.226 4.303 4.340 0.315 0.000 0.210 492 L C 2.593 179.429 176.870 -0.057 0.000 1.076 492 L CA 1.371 56.244 54.840 0.056 0.000 0.749 492 L CB -0.579 41.536 42.059 0.093 0.000 0.893 492 L HN 0.325 nan 8.230 nan 0.000 0.432 493 E N 0.129 120.293 120.200 -0.060 0.000 2.070 493 E HA -0.230 4.310 4.350 0.315 0.000 0.197 493 E C 1.143 177.659 176.600 -0.139 0.000 1.004 493 E CA 0.828 57.168 56.400 -0.101 0.000 0.805 493 E CB 0.045 29.694 29.700 -0.085 0.000 0.744 493 E HN 0.135 nan 8.360 nan 0.000 0.451 512 R N 1.714 122.178 120.500 -0.060 0.000 2.062 512 R HA -0.026 4.503 4.340 0.315 0.000 0.231 512 R C 1.441 177.626 176.300 -0.192 0.000 1.136 512 R CA 2.334 58.362 56.100 -0.119 0.000 0.948 512 R CB -0.243 29.981 30.300 -0.125 0.000 0.845 512 R HN 0.648 nan 8.270 nan 0.000 0.430 513 E N 0.298 120.386 120.200 -0.186 0.000 2.153 513 E HA -0.165 4.375 4.350 0.315 0.000 0.194 513 E C 2.048 178.585 176.600 -0.104 0.000 0.988 513 E CA 0.686 56.969 56.400 -0.195 0.000 0.811 513 E CB -0.236 29.434 29.700 -0.050 0.000 0.746 513 E HN 0.177 nan 8.360 nan 0.000 0.466 514 I N 1.255 121.785 120.570 -0.066 0.000 2.208 514 I HA -0.274 4.085 4.170 0.315 0.000 0.245 514 I C 2.218 178.306 176.117 -0.049 0.000 1.097 514 I CA 1.217 62.494 61.300 -0.039 0.000 1.363 514 I CB -0.026 37.962 38.000 -0.019 0.000 1.051 514 I HN 0.148 nan 8.210 nan 0.000 0.413 515 L N -2.270 118.911 121.223 -0.071 0.000 2.354 515 L HA 0.167 4.696 4.340 0.315 0.000 0.212 515 L C 1.526 178.346 176.870 -0.084 0.000 1.091 515 L CA 0.882 55.675 54.840 -0.077 0.000 0.828 515 L CB -0.867 41.137 42.059 -0.092 0.000 0.973 515 L HN -0.020 nan 8.230 nan 0.000 0.461 516 E N 2.556 122.690 120.200 -0.111 0.000 2.676 516 E HA 0.084 4.623 4.350 0.315 0.000 0.318 516 E C -0.431 176.128 176.600 -0.068 0.000 1.514 516 E CA -0.152 56.175 56.400 -0.122 0.000 1.667 516 E CB -0.063 29.488 29.700 -0.248 0.000 1.336 516 E HN 0.443 nan 8.360 nan 0.000 0.492 523 L N -1.062 120.054 121.223 -0.178 0.000 2.354 523 L HA 0.675 5.204 4.340 0.315 0.000 0.264 523 L C -0.728 176.034 176.870 -0.180 0.000 1.008 523 L CA -1.087 53.611 54.840 -0.236 0.000 0.819 523 L CB 1.080 43.053 42.059 -0.142 0.000 1.339 523 L HN 0.203 nan 8.230 nan 0.000 0.420 524 Y N 0.484 120.745 120.300 -0.065 0.000 2.258 524 Y HA 0.111 4.851 4.550 0.315 0.000 0.345 524 Y C 1.504 177.378 175.900 -0.043 0.000 1.303 524 Y CA 0.042 58.126 58.100 -0.027 0.000 1.537 524 Y CB 0.534 39.020 38.460 0.043 0.000 1.383 524 Y HN 0.812 nan 8.280 nan 0.000 0.606 525 E N 0.382 120.734 120.200 0.255 0.000 2.007 525 E HA -0.258 4.281 4.350 0.315 0.000 0.194 525 E C 2.007 178.684 176.600 0.128 0.000 0.999 525 E CA 2.139 58.628 56.400 0.148 0.000 0.811 525 E CB -0.405 29.374 29.700 0.131 0.000 0.762 525 E HN 0.837 nan 8.360 nan 0.000 0.450 526 H N -0.681 118.434 119.070 0.076 0.000 2.390 526 H HA -0.063 4.682 4.556 0.315 0.000 0.298 526 H C 1.894 177.265 175.328 0.071 0.000 1.106 526 H CA 1.478 57.563 56.048 0.061 0.000 1.297 526 H CB -0.286 29.503 29.762 0.046 0.000 1.375 526 H HN 0.284 nan 8.280 nan 0.000 0.509 527 E N 1.267 121.173 120.200 -0.489 0.000 2.038 527 E HA -0.173 4.366 4.350 0.315 0.000 0.195 527 E C 2.165 178.706 176.600 -0.098 0.000 1.000 527 E CA 1.345 57.561 56.400 -0.308 0.000 0.803 527 E CB -0.036 29.489 29.700 -0.293 0.000 0.750 527 E HN 0.556 nan 8.360 nan 0.000 0.448 528 K N 0.747 121.119 120.400 -0.046 0.000 2.059 528 K HA -0.225 4.285 4.320 0.315 0.000 0.212 528 K C 1.822 178.459 176.600 0.063 0.000 1.050 528 K CA 1.847 58.142 56.287 0.013 0.000 0.927 528 K CB -0.183 32.326 32.500 0.016 0.000 0.714 528 K HN 0.096 nan 8.250 nan 0.000 0.447 529 D N 0.655 121.095 120.400 0.066 0.000 2.144 529 D HA -0.151 4.679 4.640 0.315 0.000 0.199 529 D C 1.756 178.128 176.300 0.119 0.000 0.984 529 D CA 0.691 54.757 54.000 0.111 0.000 0.834 529 D CB -0.179 40.684 40.800 0.105 0.000 0.955 529 D HN -0.003 nan 8.370 nan 0.000 0.465 530 L N 0.751 122.014 121.223 0.066 0.000 2.027 530 L HA -0.100 4.429 4.340 0.315 0.000 0.206 530 L C 2.293 179.185 176.870 0.036 0.000 1.074 530 L CA 1.127 55.993 54.840 0.043 0.000 0.745 530 L CB -0.857 41.207 42.059 0.009 0.000 0.898 530 L HN -0.057 nan 8.230 nan 0.000 0.433 531 V N -0.991 118.947 119.914 0.039 0.000 2.255 531 V HA -0.359 3.951 4.120 0.315 0.000 0.247 531 V C 2.292 178.430 176.094 0.074 0.000 1.051 531 V CA 2.157 64.481 62.300 0.039 0.000 1.018 531 V CB -0.977 30.874 31.823 0.046 0.000 0.641 531 V HN 0.632 nan 8.190 nan 0.000 0.445 532 W N 1.564 122.840 121.300 -0.041 0.000 2.335 532 W HA -0.295 4.554 4.660 0.315 0.000 0.311 532 W C 2.571 179.065 176.519 -0.042 0.000 1.213 532 W CA 2.396 59.708 57.345 -0.055 0.000 1.274 532 W CB -0.147 29.273 29.460 -0.067 0.000 1.148 532 W HN 0.260 nan 8.180 nan 0.000 0.498 533 K N 0.349 120.738 120.400 -0.018 0.000 2.152 533 K HA -0.188 4.322 4.320 0.315 0.000 0.206 533 K C 1.556 178.082 176.600 -0.123 0.000 1.048 533 K CA 1.658 57.901 56.287 -0.073 0.000 0.933 533 K CB -0.476 32.046 32.500 0.037 0.000 0.721 533 K HN -0.025 nan 8.250 nan 0.000 0.447 534 M N 1.388 120.928 119.600 -0.100 0.000 2.673 534 M HA 0.139 4.808 4.480 0.315 0.000 0.334 534 M C 0.725 176.972 176.300 -0.088 0.000 1.211 534 M CA 0.092 55.362 55.300 -0.050 0.000 0.962 534 M CB 0.291 32.889 32.600 -0.003 0.000 1.343 534 M HN 0.208 nan 8.290 nan 0.000 0.511 535 R N -0.705 119.630 120.500 -0.276 0.000 2.105 535 R HA -0.169 4.361 4.340 0.315 0.000 0.239 535 R C 1.184 177.340 176.300 -0.240 0.000 1.135 535 R CA 1.848 57.764 56.100 -0.306 0.000 0.967 535 R CB -0.946 28.972 30.300 -0.636 0.000 0.861 535 R HN 0.378 nan 8.270 nan 0.000 0.442 536 H N 0.913 119.914 119.070 -0.115 0.000 2.353 536 H HA -0.028 4.717 4.556 0.315 0.000 0.300 536 H C 1.903 177.189 175.328 -0.071 0.000 1.090 536 H CA 1.608 57.595 56.048 -0.101 0.000 1.327 536 H CB 0.068 29.779 29.762 -0.084 0.000 1.383 536 H HN 0.307 nan 8.280 nan 0.000 0.508 537 E N 0.585 120.863 120.200 0.130 0.000 2.204 537 E HA -0.085 4.454 4.350 0.315 0.000 0.194 537 E C 2.404 179.154 176.600 0.251 0.000 0.989 537 E CA 0.534 57.064 56.400 0.216 0.000 0.824 537 E CB -0.335 29.498 29.700 0.222 0.000 0.756 537 E HN 0.344 nan 8.360 nan 0.000 0.477 538 V N 1.483 121.500 119.914 0.173 0.000 2.323 538 V HA -0.240 4.069 4.120 0.315 0.000 0.244 538 V C 2.668 178.761 176.094 -0.002 0.000 1.041 538 V CA 1.851 64.297 62.300 0.244 0.000 1.025 538 V CB -0.625 31.340 31.823 0.237 0.000 0.656 538 V HN 0.236 nan 8.190 nan 0.000 0.451 539 Q N -0.074 119.521 119.800 -0.341 0.000 2.135 539 Q HA -0.266 4.263 4.340 0.315 0.000 0.204 539 Q C 2.207 177.769 176.000 -0.730 0.000 0.981 539 Q CA 2.155 57.300 55.803 -1.096 0.000 0.856 539 Q CB 0.009 28.236 28.738 -0.850 0.000 0.902 539 Q HN 0.748 nan 8.270 nan 0.000 0.425 540 E N -1.367 118.578 120.200 -0.426 0.000 2.060 540 E HA -0.127 4.413 4.350 0.315 0.000 0.189 540 E C 1.401 177.625 176.600 -0.627 0.000 0.974 540 E CA 1.077 57.166 56.400 -0.518 0.000 0.808 540 E CB 0.145 29.531 29.700 -0.522 0.000 0.768 540 E HN 0.527 nan 8.360 nan 0.000 0.453 541 H N -2.269 116.659 119.070 -0.237 0.000 2.874 541 H HA 0.200 4.946 4.556 0.315 0.000 0.264 541 H C -0.235 174.604 175.328 -0.815 0.000 1.007 541 H CA 0.121 55.876 56.048 -0.488 0.000 1.207 541 H CB 0.686 30.142 29.762 -0.511 0.000 1.487 541 H HN -0.009 nan 8.280 nan 0.000 0.505 542 F N 0.452 120.416 119.950 0.023 0.000 2.556 542 F HA 0.255 4.971 4.527 0.315 0.000 0.384 542 F C -1.877 173.989 175.800 0.111 0.000 1.493 542 F CA -1.795 56.243 58.000 0.063 0.000 1.119 542 F CB 1.268 40.321 39.000 0.088 0.000 1.280 542 F HN -0.033 nan 8.300 nan 0.000 0.525 543 P HA -0.228 nan 4.420 nan 0.000 0.218 543 P C 0.814 178.454 177.300 0.565 0.000 1.146 543 P CA 1.641 64.898 63.100 0.262 0.000 0.820 543 P CB 0.307 32.005 31.700 -0.004 0.000 0.778 544 E N -0.726 119.673 120.200 0.331 0.000 2.481 544 E HA 0.101 4.640 4.350 0.315 0.000 0.195 544 E C 1.497 178.217 176.600 0.199 0.000 1.047 544 E CA 0.230 56.776 56.400 0.244 0.000 0.867 544 E CB -0.108 29.694 29.700 0.169 0.000 0.858 544 E HN 0.226 nan 8.360 nan 0.000 0.513 545 A N 0.814 123.792 122.820 0.262 0.000 2.415 545 A HA 0.075 4.584 4.320 0.315 0.000 0.248 545 A C 1.702 179.340 177.584 0.090 0.000 1.299 545 A CA -0.187 51.947 52.037 0.162 0.000 0.899 545 A CB -0.195 18.898 19.000 0.156 0.000 0.997 545 A HN 0.186 nan 8.150 nan 0.000 0.506 546 L N 0.068 121.298 121.223 0.012 0.000 2.034 546 L HA -0.254 4.275 4.340 0.315 0.000 0.217 546 L C 2.505 179.174 176.870 -0.334 0.000 1.077 546 L CA 2.675 57.246 54.840 -0.448 0.000 0.769 546 L CB -0.637 40.844 42.059 -0.963 0.000 0.890 546 L HN 0.391 nan 8.230 nan 0.000 0.435 547 A N -0.700 121.969 122.820 -0.252 0.000 1.902 547 A HA -0.255 4.254 4.320 0.315 0.000 0.217 547 A C 2.535 180.157 177.584 0.063 0.000 1.181 547 A CA 1.833 53.754 52.037 -0.194 0.000 0.623 547 A CB -0.659 18.219 19.000 -0.203 0.000 0.818 547 A HN 0.536 nan 8.150 nan 0.000 0.443 548 R N -0.924 119.603 120.500 0.045 0.000 2.115 548 R HA -0.094 4.436 4.340 0.315 0.000 0.230 548 R C 1.997 178.346 176.300 0.081 0.000 1.111 548 R CA 1.450 57.593 56.100 0.072 0.000 0.976 548 R CB -0.320 30.003 30.300 0.038 0.000 0.870 548 R HN 0.468 nan 8.270 nan 0.000 0.445 549 L N 0.690 121.949 121.223 0.060 0.000 2.072 549 L HA -0.057 4.473 4.340 0.315 0.000 0.205 549 L C 1.792 178.737 176.870 0.125 0.000 1.079 549 L CA 1.584 56.476 54.840 0.087 0.000 0.752 549 L CB -0.396 41.697 42.059 0.058 0.000 0.906 549 L HN 0.206 nan 8.230 nan 0.000 0.436 550 L N -0.962 120.331 121.223 0.117 0.000 2.079 550 L HA -0.249 4.280 4.340 0.315 0.000 0.210 550 L C 2.524 179.658 176.870 0.440 0.000 1.081 550 L CA 1.361 56.379 54.840 0.297 0.000 0.752 550 L CB -0.571 41.682 42.059 0.324 0.000 0.896 550 L HN 0.322 nan 8.230 nan 0.000 0.433 551 L N -0.504 120.918 121.223 0.332 0.000 2.201 551 L HA -0.134 4.395 4.340 0.315 0.000 0.212 551 L C 2.352 179.311 176.870 0.147 0.000 1.105 551 L CA 0.744 55.724 54.840 0.232 0.000 0.775 551 L CB -0.354 41.790 42.059 0.142 0.000 0.913 551 L HN 0.271 nan 8.230 nan 0.000 0.440 552 V N -4.724 115.253 119.914 0.105 0.000 3.235 552 V HA 0.020 4.329 4.120 0.315 0.000 0.259 552 V C 1.377 177.399 176.094 -0.120 0.000 1.133 552 V CA 0.381 62.697 62.300 0.026 0.000 1.128 552 V CB -0.667 31.189 31.823 0.056 0.000 0.757 552 V HN 0.384 nan 8.190 nan 0.000 0.469 553 T N 2.007 116.443 114.554 -0.196 0.000 2.916 553 T HA 0.124 4.663 4.350 0.315 0.000 0.303 553 T C 0.227 174.456 174.700 -0.785 0.000 1.025 553 T CA -0.316 61.373 62.100 -0.685 0.000 1.142 553 T CB 0.255 68.643 68.868 -0.801 0.000 0.947 553 T HN 0.426 nan 8.240 nan 0.000 0.544 554 K N 4.882 124.797 120.400 -0.808 0.000 2.228 554 K HA 0.054 4.563 4.320 0.315 0.000 0.284 554 K C 0.273 176.578 176.600 -0.492 0.000 1.088 554 K CA 0.020 55.998 56.287 -0.515 0.000 0.941 554 K CB 0.155 32.391 32.500 -0.439 0.000 1.158 554 K HN 0.799 nan 8.250 nan 0.000 0.438 555 W N 1.360 122.502 121.300 -0.263 0.000 2.825 555 W HA -0.103 4.747 4.660 0.316 0.000 0.243 555 W C 1.238 177.613 176.519 -0.242 0.000 1.293 555 W CA 0.234 57.382 57.345 -0.328 0.000 1.403 555 W CB -0.156 28.945 29.460 -0.599 0.000 1.134 555 W HN 0.563 nan 8.180 nan 0.000 0.666 556 N N 0.017 118.706 118.700 -0.019 0.000 2.251 556 N HA 0.035 4.964 4.740 0.315 0.000 0.217 556 N C -0.345 175.158 175.510 -0.011 0.000 1.124 556 N CA 0.139 53.186 53.050 -0.004 0.000 0.843 556 N CB -0.046 38.430 38.487 -0.019 0.000 1.024 556 N HN -0.217 nan 8.380 nan 0.000 0.501 557 K N 0.878 121.244 120.400 -0.057 0.000 2.613 557 K HA 0.100 4.609 4.320 0.315 0.000 0.248 557 K C 0.339 176.904 176.600 -0.058 0.000 0.959 557 K CA -0.487 55.759 56.287 -0.069 0.000 0.855 557 K CB 1.070 33.474 32.500 -0.159 0.000 1.143 557 K HN 0.316 nan 8.250 nan 0.000 0.437 558 H N 1.742 120.825 119.070 0.023 0.000 2.389 558 H HA 0.028 4.773 4.556 0.315 0.000 0.299 558 H C 0.769 176.124 175.328 0.045 0.000 1.081 558 H CA 1.201 57.286 56.048 0.062 0.000 1.345 558 H CB 0.470 30.289 29.762 0.094 0.000 1.393 558 H HN 0.591 nan 8.280 nan 0.000 0.520 559 E N 0.799 120.652 120.200 -0.578 0.000 2.097 559 E HA -0.172 4.367 4.350 0.315 0.000 0.196 559 E C 1.633 178.179 176.600 -0.091 0.000 1.000 559 E CA 1.689 57.910 56.400 -0.298 0.000 0.804 559 E CB 0.086 29.609 29.700 -0.294 0.000 0.740 559 E HN 0.572 nan 8.360 nan 0.000 0.454 560 D N -0.320 119.997 120.400 -0.138 0.000 2.097 560 D HA -0.114 4.715 4.640 0.315 0.000 0.197 560 D C 2.026 178.260 176.300 -0.111 0.000 0.984 560 D CA 0.659 54.576 54.000 -0.138 0.000 0.826 560 D CB -0.210 40.303 40.800 -0.478 0.000 0.973 560 D HN -0.002 nan 8.370 nan 0.000 0.460 561 V N 1.264 121.076 119.914 -0.170 0.000 2.343 561 V HA -0.253 4.056 4.120 0.315 0.000 0.247 561 V C 2.464 178.588 176.094 0.051 0.000 1.051 561 V CA 1.748 63.966 62.300 -0.137 0.000 1.036 561 V CB -0.908 30.937 31.823 0.037 0.000 0.654 561 V HN 0.206 nan 8.190 nan 0.000 0.451 562 A N -0.567 122.312 122.820 0.099 0.000 1.873 562 A HA -0.356 4.153 4.320 0.315 0.000 0.218 562 A C 2.189 179.847 177.584 0.123 0.000 1.193 562 A CA 2.414 54.520 52.037 0.115 0.000 0.629 562 A CB -0.580 18.476 19.000 0.093 0.000 0.826 562 A HN 0.637 nan 8.150 nan 0.000 0.447 563 Q N -2.013 117.870 119.800 0.139 0.000 2.079 563 Q HA -0.171 4.359 4.340 0.315 0.000 0.200 563 Q C 2.146 178.247 176.000 0.169 0.000 0.974 563 Q CA 1.631 57.538 55.803 0.173 0.000 0.840 563 Q CB -0.274 28.584 28.738 0.201 0.000 0.898 563 Q HN 0.695 nan 8.270 nan 0.000 0.430 564 M N 0.444 120.170 119.600 0.210 0.000 2.086 564 M HA -0.138 4.531 4.480 0.315 0.000 0.261 564 M C 1.588 177.926 176.300 0.064 0.000 1.067 564 M CA 1.520 56.895 55.300 0.124 0.000 1.116 564 M CB -0.276 32.350 32.600 0.042 0.000 1.348 564 M HN 0.129 nan 8.290 nan 0.000 0.407 565 L N -0.675 120.597 121.223 0.082 0.000 2.012 565 L HA -0.196 4.333 4.340 0.315 0.000 0.210 565 L C 2.364 179.266 176.870 0.054 0.000 1.073 565 L CA 1.872 56.747 54.840 0.057 0.000 0.748 565 L CB -1.765 40.329 42.059 0.059 0.000 0.891 565 L HN 0.471 nan 8.230 nan 0.000 0.431 566 Y N 0.114 120.406 120.300 -0.013 0.000 2.102 566 Y HA -0.314 4.426 4.550 0.315 0.000 0.280 566 Y C 2.323 178.234 175.900 0.017 0.000 1.178 566 Y CA 1.801 59.896 58.100 -0.008 0.000 1.146 566 Y CB -0.475 37.986 38.460 0.002 0.000 0.968 566 Y HN 0.125 nan 8.280 nan 0.000 0.504 567 L N -1.131 120.047 121.223 -0.075 0.000 2.093 567 L HA -0.195 4.334 4.340 0.315 0.000 0.208 567 L C 2.411 179.329 176.870 0.080 0.000 1.085 567 L CA 0.963 55.767 54.840 -0.061 0.000 0.755 567 L CB -0.806 41.309 42.059 0.095 0.000 0.904 567 L HN 0.283 nan 8.230 nan 0.000 0.435 568 L N -0.226 121.011 121.223 0.024 0.000 2.079 568 L HA -0.222 4.307 4.340 0.315 0.000 0.210 568 L C 2.478 179.351 176.870 0.005 0.000 1.081 568 L CA 1.678 56.479 54.840 -0.064 0.000 0.752 568 L CB -0.642 41.322 42.059 -0.158 0.000 0.896 568 L HN 0.275 nan 8.230 nan 0.000 0.433 569 C N -0.786 118.497 119.300 -0.029 0.000 2.419 569 C HA -0.051 4.598 4.460 0.315 0.000 0.281 569 C C 2.552 177.546 174.990 0.006 0.000 1.336 569 C CA 1.018 60.029 59.018 -0.010 0.000 1.770 569 C CB -1.314 26.390 27.740 -0.060 0.000 1.929 569 C HN 0.781 nan 8.230 nan 0.000 0.509 570 S N -2.348 113.322 115.700 -0.050 0.000 2.568 570 S HA 0.093 4.753 4.470 0.315 0.000 0.232 570 S C 0.081 174.690 174.600 0.014 0.000 0.975 570 S CA -0.448 57.723 58.200 -0.048 0.000 0.949 570 S CB -0.276 62.824 63.200 -0.166 0.000 0.829 570 S HN 0.642 nan 8.310 nan 0.000 0.479 571 W N 4.644 125.903 121.300 -0.067 0.000 2.210 571 W HA 0.274 5.123 4.660 0.316 0.000 0.330 571 W C -2.624 173.979 176.519 0.141 0.000 1.334 571 W CA -1.607 55.712 57.345 -0.043 0.000 1.227 571 W CB 0.674 29.979 29.460 -0.258 0.000 1.178 571 W HN 0.155 nan 8.180 nan 0.000 0.560 572 P HA 0.065 nan 4.420 nan 0.000 0.274 572 P C -0.579 176.972 177.300 0.418 0.000 1.231 572 P CA 0.175 63.384 63.100 0.181 0.000 0.790 572 P CB 0.882 32.579 31.700 -0.005 0.000 0.951 573 E N 0.632 120.951 120.200 0.198 0.000 2.437 573 E HA 0.105 4.644 4.350 0.315 0.000 0.263 573 E C -0.189 176.487 176.600 0.126 0.000 1.030 573 E CA 0.161 56.590 56.400 0.048 0.000 0.934 573 E CB 0.213 29.866 29.700 -0.079 0.000 0.943 573 E HN 0.349 nan 8.360 nan 0.000 0.444 574 L N 3.225 124.491 121.223 0.072 0.000 2.319 574 L HA 0.466 4.995 4.340 0.315 0.000 0.267 574 L C -2.259 174.627 176.870 0.026 0.000 1.011 574 L CA -2.519 52.391 54.840 0.117 0.000 0.818 574 L CB 1.456 43.635 42.059 0.201 0.000 1.316 574 L HN 0.288 nan 8.230 nan 0.000 0.432 575 P HA 0.026 nan 4.420 nan 0.000 0.270 575 P C 0.969 178.270 177.300 0.001 0.000 1.223 575 P CA -0.313 62.800 63.100 0.021 0.000 0.785 575 P CB 0.721 32.444 31.700 0.038 0.000 0.923 576 V N 1.633 121.550 119.914 0.005 0.000 2.277 576 V HA -0.278 4.031 4.120 0.315 0.000 0.253 576 V C 2.240 178.317 176.094 -0.029 0.000 1.067 576 V CA 2.068 64.367 62.300 -0.001 0.000 1.047 576 V CB -1.121 30.737 31.823 0.058 0.000 0.649 576 V HN 0.532 nan 8.190 nan 0.000 0.447 577 L N 0.135 121.360 121.223 0.004 0.000 1.990 577 L HA -0.192 4.337 4.340 0.315 0.000 0.213 577 L C 2.554 179.419 176.870 -0.007 0.000 1.072 577 L CA 2.534 57.392 54.840 0.031 0.000 0.755 577 L CB -0.897 41.209 42.059 0.080 0.000 0.889 577 L HN 0.344 nan 8.230 nan 0.000 0.432 578 S N -0.329 115.360 115.700 -0.019 0.000 2.356 578 S HA -0.170 4.489 4.470 0.315 0.000 0.223 578 S C 2.087 176.598 174.600 -0.150 0.000 1.032 578 S CA 1.149 59.302 58.200 -0.079 0.000 1.005 578 S CB -0.723 62.473 63.200 -0.006 0.000 0.867 578 S HN 0.674 nan 8.310 nan 0.000 0.449 579 A N 1.348 124.104 122.820 -0.106 0.000 1.940 579 A HA -0.057 4.452 4.320 0.315 0.000 0.219 579 A C 2.106 179.594 177.584 -0.160 0.000 1.176 579 A CA 1.226 53.185 52.037 -0.128 0.000 0.631 579 A CB -0.752 18.170 19.000 -0.129 0.000 0.814 579 A HN 0.462 nan 8.150 nan 0.000 0.446 580 L N -0.966 120.154 121.223 -0.172 0.000 2.093 580 L HA -0.193 4.336 4.340 0.315 0.000 0.208 580 L C 2.614 179.359 176.870 -0.208 0.000 1.085 580 L CA 1.699 56.433 54.840 -0.177 0.000 0.755 580 L CB -0.405 41.537 42.059 -0.195 0.000 0.904 580 L HN 0.611 nan 8.230 nan 0.000 0.435 581 E N 0.744 120.700 120.200 -0.406 0.000 2.077 581 E HA -0.229 4.311 4.350 0.315 0.000 0.193 581 E C 2.282 178.787 176.600 -0.158 0.000 0.989 581 E CA 1.082 57.211 56.400 -0.452 0.000 0.800 581 E CB -0.066 29.204 29.700 -0.717 0.000 0.746 581 E HN 0.467 nan 8.360 nan 0.000 0.452 582 L N 0.769 121.815 121.223 -0.295 0.000 2.353 582 L HA -0.151 4.378 4.340 0.315 0.000 0.220 582 L C 2.254 179.109 176.870 -0.026 0.000 1.133 582 L CA 0.471 55.072 54.840 -0.400 0.000 0.798 582 L CB -0.221 41.604 42.059 -0.390 0.000 0.922 582 L HN 0.265 nan 8.230 nan 0.000 0.445 583 L N -0.822 120.405 121.223 0.007 0.000 2.478 583 L HA -0.037 4.492 4.340 0.315 0.000 0.223 583 L C 0.814 177.773 176.870 0.149 0.000 1.140 583 L CA -0.098 54.783 54.840 0.069 0.000 0.842 583 L CB -0.426 41.653 42.059 0.033 0.000 0.953 583 L HN 0.226 nan 8.230 nan 0.000 0.452 584 D N -0.585 119.921 120.400 0.177 0.000 2.390 584 D HA -0.175 4.654 4.640 0.315 0.000 0.236 584 D C 0.946 177.210 176.300 -0.060 0.000 1.189 584 D CA 0.060 54.128 54.000 0.113 0.000 0.887 584 D CB 0.604 41.470 40.800 0.111 0.000 1.198 584 D HN 0.011 nan 8.370 nan 0.000 0.444 585 F N 1.716 121.336 119.950 -0.551 0.000 2.333 585 F HA -0.125 4.591 4.527 0.316 0.000 0.300 585 F C 2.169 177.608 175.800 -0.601 0.000 1.083 585 F CA 1.008 58.528 58.000 -0.801 0.000 1.395 585 F CB -0.395 37.847 39.000 -1.263 0.000 1.056 585 F HN 0.294 nan 8.300 nan 0.000 0.529 586 S N -0.323 114.940 115.700 -0.729 0.000 2.493 586 S HA -0.145 4.514 4.470 0.315 0.000 0.243 586 S C 0.227 173.991 174.600 -1.394 0.000 0.991 586 S CA 0.641 58.192 58.200 -1.083 0.000 0.957 586 S CB -0.724 61.733 63.200 -1.239 0.000 0.756 586 S HN 0.296 nan 8.310 nan 0.000 0.521 587 F N 0.833 120.530 119.950 -0.422 0.000 2.622 587 F HA 0.365 5.082 4.527 0.315 0.000 0.338 587 F C -2.106 173.428 175.800 -0.444 0.000 1.334 587 F CA -2.412 55.353 58.000 -0.392 0.000 1.179 587 F CB 1.024 39.886 39.000 -0.231 0.000 1.471 587 F HN -0.077 nan 8.300 nan 0.000 0.576 588 P HA -0.061 nan 4.420 nan 0.000 0.227 588 P C 0.230 177.298 177.300 -0.387 0.000 1.161 588 P CA 0.518 63.296 63.100 -0.537 0.000 0.788 588 P CB 0.232 31.420 31.700 -0.854 0.000 0.822 589 D N -0.159 120.010 120.400 -0.385 0.000 2.525 589 D HA -0.076 4.753 4.640 0.315 0.000 0.235 589 D C 1.363 177.607 176.300 -0.093 0.000 1.137 589 D CA 0.089 53.986 54.000 -0.173 0.000 0.868 589 D CB 0.657 41.421 40.800 -0.061 0.000 1.180 589 D HN 0.159 nan 8.370 nan 0.000 0.465 590 C N 2.888 122.108 119.300 -0.133 0.000 2.464 590 C HA -0.005 4.644 4.460 0.315 0.000 0.278 590 C C 2.181 177.088 174.990 -0.138 0.000 1.375 590 C CA -0.099 58.822 59.018 -0.163 0.000 1.761 590 C CB -1.528 26.070 27.740 -0.236 0.000 1.944 590 C HN 0.697 nan 8.230 nan 0.000 0.509 591 Y N 1.792 122.117 120.300 0.042 0.000 2.263 591 Y HA -0.016 4.723 4.550 0.316 0.000 0.292 591 Y C 2.804 178.750 175.900 0.077 0.000 1.130 591 Y CA 1.381 59.523 58.100 0.071 0.000 1.179 591 Y CB -0.836 37.679 38.460 0.092 0.000 0.998 591 Y HN 0.183 nan 8.280 nan 0.000 0.532 592 V N -0.544 119.483 119.914 0.188 0.000 2.295 592 V HA -0.246 4.064 4.120 0.315 0.000 0.246 592 V C 2.528 178.675 176.094 0.088 0.000 1.049 592 V CA 2.021 64.374 62.300 0.087 0.000 1.024 592 V CB -1.372 30.468 31.823 0.029 0.000 0.648 592 V HN 0.529 nan 8.190 nan 0.000 0.447 593 G N -1.183 107.645 108.800 0.047 0.000 2.418 593 G HA2 -0.291 3.858 3.960 0.315 0.000 0.217 593 G HA3 -0.291 3.858 3.960 0.315 0.000 0.217 593 G C 1.931 176.844 174.900 0.022 0.000 1.158 593 G CA 1.239 46.352 45.100 0.020 0.000 0.771 593 G HN 0.486 nan 8.290 nan 0.000 0.545 594 S N -0.243 115.487 115.700 0.050 0.000 2.368 594 S HA -0.132 4.527 4.470 0.315 0.000 0.225 594 S C 2.073 176.712 174.600 0.066 0.000 1.030 594 S CA 1.471 59.702 58.200 0.051 0.000 0.999 594 S CB -0.426 62.828 63.200 0.090 0.000 0.844 594 S HN 0.376 nan 8.310 nan 0.000 0.459 595 F N 2.210 122.152 119.950 -0.014 0.000 2.134 595 F HA 0.016 4.732 4.527 0.315 0.000 0.299 595 F C 2.261 178.006 175.800 -0.092 0.000 1.097 595 F CA 1.238 59.215 58.000 -0.038 0.000 1.264 595 F CB -0.781 38.191 39.000 -0.046 0.000 1.001 595 F HN 0.282 nan 8.300 nan 0.000 0.479 596 A N 0.919 123.769 122.820 0.049 0.000 1.883 596 A HA -0.179 4.330 4.320 0.315 0.000 0.217 596 A C 2.203 179.649 177.584 -0.231 0.000 1.186 596 A CA 1.881 53.866 52.037 -0.087 0.000 0.624 596 A CB -1.054 17.912 19.000 -0.057 0.000 0.822 596 A HN 0.403 nan 8.150 nan 0.000 0.444 597 I N -0.034 120.396 120.570 -0.232 0.000 2.226 597 I HA -0.215 4.144 4.170 0.315 0.000 0.245 597 I C 2.375 178.252 176.117 -0.401 0.000 1.100 597 I CA 1.919 62.986 61.300 -0.387 0.000 1.374 597 I CB -1.136 36.669 38.000 -0.325 0.000 1.057 597 I HN 0.452 nan 8.210 nan 0.000 0.413 598 K N 0.546 120.765 120.400 -0.302 0.000 2.063 598 K HA -0.165 4.344 4.320 0.315 0.000 0.208 598 K C 2.196 178.596 176.600 -0.335 0.000 1.048 598 K CA 1.708 57.826 56.287 -0.282 0.000 0.928 598 K CB 0.007 32.342 32.500 -0.276 0.000 0.713 598 K HN 0.068 nan 8.250 nan 0.000 0.442 599 S N 0.363 115.791 115.700 -0.454 0.000 2.515 599 S HA 0.050 4.709 4.470 0.315 0.000 0.231 599 S C 1.419 175.885 174.600 -0.223 0.000 0.987 599 S CA 0.519 58.499 58.200 -0.366 0.000 0.936 599 S CB 0.058 63.002 63.200 -0.426 0.000 0.766 599 S HN 0.255 nan 8.310 nan 0.000 0.528 600 L N 0.203 121.270 121.223 -0.259 0.000 2.554 600 L HA 0.233 4.763 4.340 0.315 0.000 0.225 600 L C 2.171 178.963 176.870 -0.130 0.000 1.104 600 L CA 0.106 54.822 54.840 -0.207 0.000 0.866 600 L CB -0.079 41.778 42.059 -0.337 0.000 1.047 600 L HN 0.089 nan 8.230 nan 0.000 0.468 601 R N 1.200 121.613 120.500 -0.146 0.000 2.200 601 R HA -0.171 4.359 4.340 0.315 0.000 0.234 601 R C 1.718 178.087 176.300 0.115 0.000 1.127 601 R CA 1.155 57.302 56.100 0.079 0.000 0.989 601 R CB -0.246 30.087 30.300 0.056 0.000 0.869 601 R HN 0.444 nan 8.270 nan 0.000 0.459 602 K N 0.697 121.122 120.400 0.042 0.000 2.505 602 K HA 0.060 4.569 4.320 0.315 0.000 0.192 602 K C 0.242 176.887 176.600 0.074 0.000 1.025 602 K CA 0.124 56.440 56.287 0.049 0.000 1.086 602 K CB 0.003 32.513 32.500 0.016 0.000 0.840 602 K HN 0.062 nan 8.250 nan 0.000 0.514 603 L N 3.315 124.609 121.223 0.118 0.000 2.490 603 L HA -0.008 4.521 4.340 0.315 0.000 0.274 603 L C 0.972 177.900 176.870 0.096 0.000 1.201 603 L CA -0.124 54.793 54.840 0.129 0.000 0.869 603 L CB 0.590 42.771 42.059 0.204 0.000 1.123 603 L HN 0.317 nan 8.230 nan 0.000 0.484 604 T N -1.661 112.924 114.554 0.053 0.000 2.813 604 T HA 0.040 4.579 4.350 0.315 0.000 0.297 604 T C 0.803 175.515 174.700 0.021 0.000 1.036 604 T CA -0.759 61.358 62.100 0.027 0.000 1.044 604 T CB 0.888 69.756 68.868 0.001 0.000 0.993 604 T HN 0.534 nan 8.240 nan 0.000 0.535 605 D N 0.470 120.875 120.400 0.009 0.000 2.144 605 D HA -0.057 4.772 4.640 0.315 0.000 0.200 605 D C 1.665 177.970 176.300 0.009 0.000 0.978 605 D CA 1.029 55.033 54.000 0.006 0.000 0.833 605 D CB -0.235 40.556 40.800 -0.015 0.000 0.961 605 D HN 0.605 nan 8.370 nan 0.000 0.470 606 D N 0.753 121.140 120.400 -0.022 0.000 2.117 606 D HA -0.117 4.712 4.640 0.315 0.000 0.197 606 D C 1.927 178.175 176.300 -0.086 0.000 0.987 606 D CA 0.750 54.735 54.000 -0.025 0.000 0.829 606 D CB -0.163 40.601 40.800 -0.060 0.000 0.961 606 D HN 0.349 nan 8.370 nan 0.000 0.460 607 E N -0.281 119.831 120.200 -0.146 0.000 2.072 607 E HA -0.133 4.406 4.350 0.315 0.000 0.191 607 E C 2.003 178.354 176.600 -0.416 0.000 0.985 607 E CA 0.219 56.408 56.400 -0.351 0.000 0.801 607 E CB -0.022 29.572 29.700 -0.177 0.000 0.750 607 E HN 0.078 nan 8.360 nan 0.000 0.452 608 L N 0.617 121.780 121.223 -0.100 0.000 2.017 608 L HA -0.159 4.370 4.340 0.315 0.000 0.208 608 L C 2.030 178.898 176.870 -0.003 0.000 1.073 608 L CA 1.604 56.456 54.840 0.019 0.000 0.745 608 L CB -0.818 41.295 42.059 0.090 0.000 0.894 608 L HN 0.088 nan 8.230 nan 0.000 0.432 609 F N 0.529 120.394 119.950 -0.141 0.000 2.120 609 F HA -0.282 4.433 4.527 0.315 0.000 0.300 609 F C 2.582 178.255 175.800 -0.212 0.000 1.095 609 F CA 2.128 60.042 58.000 -0.143 0.000 1.249 609 F CB -0.570 38.341 39.000 -0.148 0.000 0.995 609 F HN 0.333 nan 8.300 nan 0.000 0.480 610 Q N -0.700 118.827 119.800 -0.456 0.000 2.167 610 Q HA -0.168 4.361 4.340 0.315 0.000 0.202 610 Q C 1.078 176.815 176.000 -0.438 0.000 0.970 610 Q CA 1.720 57.164 55.803 -0.598 0.000 0.855 610 Q CB -0.510 27.827 28.738 -0.668 0.000 0.911 610 Q HN 0.554 nan 8.270 nan 0.000 0.438 611 Y N -1.074 119.108 120.300 -0.196 0.000 2.507 611 Y HA 0.192 4.931 4.550 0.315 0.000 0.254 611 Y C 1.184 176.997 175.900 -0.145 0.000 1.171 611 Y CA -0.663 57.339 58.100 -0.162 0.000 1.238 611 Y CB -0.347 38.059 38.460 -0.091 0.000 1.148 611 Y HN 0.078 nan 8.280 nan 0.000 0.525 612 L N 0.307 121.492 121.223 -0.064 0.000 2.013 612 L HA -0.217 4.312 4.340 0.315 0.000 0.212 612 L C 2.211 179.018 176.870 -0.106 0.000 1.073 612 L CA 1.535 56.364 54.840 -0.018 0.000 0.753 612 L CB -0.818 41.271 42.059 0.049 0.000 0.890 612 L HN 0.284 nan 8.230 nan 0.000 0.432 613 L N -0.660 120.415 121.223 -0.248 0.000 2.013 613 L HA -0.286 4.243 4.340 0.315 0.000 0.212 613 L C 2.441 179.150 176.870 -0.267 0.000 1.073 613 L CA 1.979 56.562 54.840 -0.428 0.000 0.753 613 L CB -0.833 40.991 42.059 -0.391 0.000 0.890 613 L HN 0.401 nan 8.230 nan 0.000 0.432 614 Q N -1.012 118.690 119.800 -0.164 0.000 2.123 614 Q HA -0.028 4.501 4.340 0.315 0.000 0.199 614 Q C 2.218 178.171 176.000 -0.080 0.000 0.966 614 Q CA 1.406 57.133 55.803 -0.126 0.000 0.845 614 Q CB -0.294 28.380 28.738 -0.108 0.000 0.907 614 Q HN 0.507 nan 8.270 nan 0.000 0.439 615 L N -0.622 120.582 121.223 -0.032 0.000 2.083 615 L HA -0.179 4.350 4.340 0.315 0.000 0.209 615 L C 2.085 178.942 176.870 -0.022 0.000 1.083 615 L CA 0.755 55.603 54.840 0.013 0.000 0.752 615 L CB -0.561 41.552 42.059 0.089 0.000 0.899 615 L HN 0.115 nan 8.230 nan 0.000 0.433 616 V N -0.715 119.154 119.914 -0.076 0.000 2.295 616 V HA -0.265 4.044 4.120 0.315 0.000 0.246 616 V C 2.593 178.636 176.094 -0.086 0.000 1.049 616 V CA 1.500 63.727 62.300 -0.121 0.000 1.024 616 V CB -0.510 31.202 31.823 -0.184 0.000 0.648 616 V HN 0.462 nan 8.190 nan 0.000 0.447 617 Q N -0.362 119.367 119.800 -0.117 0.000 2.135 617 Q HA -0.161 4.369 4.340 0.315 0.000 0.204 617 Q C 2.354 178.210 176.000 -0.240 0.000 0.981 617 Q CA 1.466 57.180 55.803 -0.148 0.000 0.856 617 Q CB -0.870 27.756 28.738 -0.188 0.000 0.902 617 Q HN 0.532 nan 8.270 nan 0.000 0.425 618 V N 1.313 121.120 119.914 -0.178 0.000 2.568 618 V HA -0.235 4.074 4.120 0.315 0.000 0.253 618 V C 2.324 178.376 176.094 -0.070 0.000 1.072 618 V CA 1.071 63.290 62.300 -0.134 0.000 1.084 618 V CB -0.573 31.276 31.823 0.043 0.000 0.676 618 V HN 0.297 nan 8.190 nan 0.000 0.469 619 L N -0.501 120.709 121.223 -0.023 0.000 2.129 619 L HA -0.256 4.273 4.340 0.315 0.000 0.212 619 L C 2.410 179.285 176.870 0.008 0.000 1.087 619 L CA 1.696 56.566 54.840 0.049 0.000 0.757 619 L CB -0.625 41.510 42.059 0.127 0.000 0.896 619 L HN 0.303 nan 8.230 nan 0.000 0.434 620 K N -1.193 119.137 120.400 -0.117 0.000 2.362 620 K HA -0.142 4.367 4.320 0.315 0.000 0.200 620 K C 1.696 178.170 176.600 -0.210 0.000 1.046 620 K CA 0.905 57.057 56.287 -0.224 0.000 0.952 620 K CB -0.049 32.243 32.500 -0.347 0.000 0.753 620 K HN 0.208 nan 8.250 nan 0.000 0.466 621 Y N 1.610 121.835 120.300 -0.126 0.000 2.519 621 Y HA 0.053 4.793 4.550 0.316 0.000 0.287 621 Y C 0.714 176.568 175.900 -0.077 0.000 1.128 621 Y CA -0.030 57.980 58.100 -0.150 0.000 1.282 621 Y CB -0.119 38.313 38.460 -0.046 0.000 1.027 621 Y HN -0.074 nan 8.280 nan 0.000 0.551 622 E N -0.071 120.179 120.200 0.082 0.000 2.415 622 E HA 0.023 4.562 4.350 0.315 0.000 0.262 622 E C 0.880 177.441 176.600 -0.065 0.000 1.038 622 E CA 0.211 56.631 56.400 0.033 0.000 0.921 622 E CB 1.218 30.944 29.700 0.043 0.000 0.950 622 E HN 0.087 nan 8.360 nan 0.000 0.438 623 S N 1.395 116.996 115.700 -0.165 0.000 2.470 623 S HA 0.056 4.715 4.470 0.315 0.000 0.222 623 S C -0.139 174.042 174.600 -0.697 0.000 1.024 623 S CA 0.439 58.359 58.200 -0.467 0.000 0.931 623 S CB 0.131 62.950 63.200 -0.634 0.000 0.791 623 S HN 0.375 nan 8.310 nan 0.000 0.513 624 Y N -0.743 119.576 120.300 0.031 0.000 2.634 624 Y HA 0.481 5.220 4.550 0.315 0.000 0.340 624 Y C 0.865 176.759 175.900 -0.009 0.000 1.058 624 Y CA -1.086 57.029 58.100 0.025 0.000 1.081 624 Y CB 0.633 39.142 38.460 0.083 0.000 1.295 624 Y HN -0.211 nan 8.280 nan 0.000 0.487 625 L N 0.025 121.325 121.223 0.128 0.000 2.095 625 L HA -0.018 4.511 4.340 0.315 0.000 0.204 625 L C 0.149 177.128 176.870 0.182 0.000 1.080 625 L CA 1.177 55.983 54.840 -0.056 0.000 0.759 625 L CB 0.029 41.911 42.059 -0.295 0.000 0.914 625 L HN 0.569 nan 8.230 nan 0.000 0.439 626 D N 0.283 120.873 120.400 0.315 0.000 2.317 626 D HA 0.327 5.156 4.640 0.315 0.000 0.234 626 D C -0.733 175.691 176.300 0.206 0.000 1.112 626 D CA -0.318 53.884 54.000 0.336 0.000 0.840 626 D CB 0.892 41.847 40.800 0.259 0.000 1.078 626 D HN 0.225 nan 8.370 nan 0.000 0.486 627 C N 2.497 121.896 119.300 0.165 0.000 3.239 627 C HA 0.492 5.141 4.460 0.315 0.000 0.317 627 C C 1.251 176.283 174.990 0.070 0.000 1.310 627 C CA -0.749 58.337 59.018 0.113 0.000 1.371 627 C CB 1.658 29.477 27.740 0.130 0.000 1.714 627 C HN 0.527 nan 8.230 nan 0.000 0.473 628 E N 0.267 120.494 120.200 0.046 0.000 2.077 628 E HA -0.156 4.383 4.350 0.315 0.000 0.193 628 E C 1.790 178.440 176.600 0.084 0.000 0.989 628 E CA 1.223 57.642 56.400 0.032 0.000 0.800 628 E CB -0.194 29.508 29.700 0.004 0.000 0.746 628 E HN 0.747 nan 8.360 nan 0.000 0.452 629 L N 1.224 122.502 121.223 0.090 0.000 2.042 629 L HA -0.170 4.359 4.340 0.315 0.000 0.210 629 L C 2.188 179.173 176.870 0.192 0.000 1.076 629 L CA 1.908 56.838 54.840 0.149 0.000 0.749 629 L CB -0.918 41.206 42.059 0.109 0.000 0.893 629 L HN 0.044 nan 8.230 nan 0.000 0.432 630 T N -0.806 113.832 114.554 0.141 0.000 2.737 630 T HA -0.209 4.330 4.350 0.315 0.000 0.265 630 T C 1.918 176.677 174.700 0.098 0.000 1.038 630 T CA 1.712 63.895 62.100 0.139 0.000 1.144 630 T CB -0.137 68.854 68.868 0.206 0.000 0.866 630 T HN 0.313 nan 8.240 nan 0.000 0.434 631 K N -0.031 120.380 120.400 0.018 0.000 2.097 631 K HA -0.060 4.449 4.320 0.315 0.000 0.205 631 K C 2.043 178.656 176.600 0.023 0.000 1.050 631 K CA 0.952 57.145 56.287 -0.155 0.000 0.938 631 K CB -0.283 31.986 32.500 -0.385 0.000 0.718 631 K HN 0.259 nan 8.250 nan 0.000 0.442 632 F N 1.696 121.633 119.950 -0.022 0.000 2.046 632 F HA -0.210 4.506 4.527 0.315 0.000 0.297 632 F C 1.672 177.521 175.800 0.082 0.000 1.123 632 F CA 1.556 59.579 58.000 0.038 0.000 1.199 632 F CB -0.435 38.579 39.000 0.023 0.000 0.972 632 F HN -0.043 nan 8.300 nan 0.000 0.474 633 L N -0.566 120.668 121.223 0.018 0.000 2.042 633 L HA -0.257 4.272 4.340 0.315 0.000 0.210 633 L C 2.443 179.293 176.870 -0.033 0.000 1.076 633 L CA 0.832 55.629 54.840 -0.073 0.000 0.749 633 L CB -0.762 41.327 42.059 0.050 0.000 0.893 633 L HN 0.251 nan 8.230 nan 0.000 0.432 634 L N -0.125 121.146 121.223 0.079 0.000 2.027 634 L HA -0.064 4.465 4.340 0.315 0.000 0.206 634 L C 2.539 179.550 176.870 0.236 0.000 1.074 634 L CA 2.059 57.016 54.840 0.195 0.000 0.745 634 L CB -1.548 40.664 42.059 0.255 0.000 0.898 634 L HN 0.184 nan 8.230 nan 0.000 0.433 635 G N -1.102 107.869 108.800 0.285 0.000 2.422 635 G HA2 -0.229 3.920 3.960 0.315 0.000 0.218 635 G HA3 -0.229 3.920 3.960 0.315 0.000 0.218 635 G C 1.724 176.642 174.900 0.030 0.000 1.146 635 G CA 0.275 45.509 45.100 0.222 0.000 0.769 635 G HN 0.212 nan 8.290 nan 0.000 0.547 636 R N 0.609 121.045 120.500 -0.107 0.000 2.090 636 R HA 0.144 4.673 4.340 0.315 0.000 0.228 636 R C 2.886 179.171 176.300 -0.026 0.000 1.110 636 R CA 1.073 57.082 56.100 -0.152 0.000 0.973 636 R CB -0.934 29.125 30.300 -0.401 0.000 0.869 636 R HN 0.344 nan 8.270 nan 0.000 0.440 637 A N 1.006 123.842 122.820 0.027 0.000 1.969 637 A HA -0.058 4.452 4.320 0.315 0.000 0.218 637 A C 2.222 179.977 177.584 0.285 0.000 1.169 637 A CA 0.975 53.089 52.037 0.128 0.000 0.635 637 A CB -0.392 18.665 19.000 0.095 0.000 0.810 637 A HN 0.180 nan 8.150 nan 0.000 0.445 638 L N -1.325 120.045 121.223 0.244 0.000 2.418 638 L HA 0.012 4.541 4.340 0.315 0.000 0.218 638 L C 2.668 179.654 176.870 0.193 0.000 1.125 638 L CA 0.662 55.632 54.840 0.216 0.000 0.835 638 L CB -0.153 41.943 42.059 0.062 0.000 0.953 638 L HN 0.412 nan 8.230 nan 0.000 0.454 639 A N -1.101 121.803 122.820 0.139 0.000 2.178 639 A HA 0.021 4.531 4.320 0.315 0.000 0.211 639 A C 0.802 178.501 177.584 0.191 0.000 1.157 639 A CA 0.332 52.459 52.037 0.151 0.000 0.780 639 A CB -0.048 18.980 19.000 0.046 0.000 0.828 639 A HN 0.331 nan 8.150 nan 0.000 0.476 640 N N -0.411 118.336 118.700 0.078 0.000 2.519 640 N HA 0.183 5.113 4.740 0.315 0.000 0.286 640 N C 0.306 175.664 175.510 -0.253 0.000 1.079 640 N CA -0.385 52.579 53.050 -0.143 0.000 0.878 640 N CB 1.232 39.666 38.487 -0.088 0.000 1.375 640 N HN 0.244 nan 8.380 nan 0.000 0.514 641 R N 2.603 122.669 120.500 -0.723 0.000 2.120 641 R HA -0.112 4.417 4.340 0.315 0.000 0.234 641 R C 1.693 177.819 176.300 -0.290 0.000 1.123 641 R CA 1.458 57.173 56.100 -0.640 0.000 0.975 641 R CB 0.257 29.858 30.300 -1.167 0.000 0.866 641 R HN 0.536 nan 8.270 nan 0.000 0.446 642 K N 0.343 120.586 120.400 -0.262 0.000 2.025 642 K HA -0.106 4.404 4.320 0.315 0.000 0.207 642 K C 1.932 178.611 176.600 0.131 0.000 1.049 642 K CA 1.162 57.391 56.287 -0.097 0.000 0.933 642 K CB -0.019 32.375 32.500 -0.177 0.000 0.714 642 K HN 0.030 nan 8.250 nan 0.000 0.438 643 I N 1.671 122.286 120.570 0.075 0.000 2.163 643 I HA -0.188 4.171 4.170 0.315 0.000 0.243 643 I C 2.509 178.726 176.117 0.166 0.000 1.085 643 I CA 1.865 63.275 61.300 0.183 0.000 1.347 643 I CB -1.810 36.242 38.000 0.087 0.000 1.044 643 I HN 0.468 nan 8.210 nan 0.000 0.408 644 G N -0.310 108.546 108.800 0.093 0.000 2.446 644 G HA2 -0.346 3.803 3.960 0.315 0.000 0.217 644 G HA3 -0.346 3.803 3.960 0.315 0.000 0.217 644 G C 1.656 176.549 174.900 -0.012 0.000 1.168 644 G CA 1.412 46.506 45.100 -0.009 0.000 0.771 644 G HN 0.501 nan 8.290 nan 0.000 0.551 645 H N -0.193 118.923 119.070 0.076 0.000 2.290 645 H HA -0.065 4.680 4.556 0.315 0.000 0.298 645 H C 2.211 177.502 175.328 -0.063 0.000 1.087 645 H CA 2.000 58.057 56.048 0.016 0.000 1.291 645 H CB -0.282 29.405 29.762 -0.123 0.000 1.369 645 H HN 0.333 nan 8.280 nan 0.000 0.492 646 F N -0.464 119.654 119.950 0.279 0.000 2.259 646 F HA -0.053 4.663 4.527 0.315 0.000 0.298 646 F C 2.334 178.096 175.800 -0.063 0.000 1.088 646 F CA 0.756 58.834 58.000 0.129 0.000 1.358 646 F CB -0.551 38.637 39.000 0.313 0.000 1.040 646 F HN 0.235 nan 8.300 nan 0.000 0.505 647 L N -0.367 120.945 121.223 0.148 0.000 2.012 647 L HA -0.218 4.311 4.340 0.315 0.000 0.210 647 L C 2.284 179.069 176.870 -0.142 0.000 1.073 647 L CA 1.675 56.526 54.840 0.018 0.000 0.748 647 L CB -1.122 40.894 42.059 -0.072 0.000 0.891 647 L HN 0.177 nan 8.230 nan 0.000 0.431 648 F N -0.809 118.907 119.950 -0.391 0.000 2.069 648 F HA -0.267 4.448 4.527 0.314 0.000 0.298 648 F C 1.913 177.450 175.800 -0.438 0.000 1.113 648 F CA 2.020 59.704 58.000 -0.526 0.000 1.214 648 F CB -0.769 37.773 39.000 -0.764 0.000 0.978 648 F HN 0.141 nan 8.300 nan 0.000 0.474 649 W N -0.210 120.925 121.300 -0.275 0.000 2.363 649 W HA -0.186 4.664 4.660 0.316 0.000 0.296 649 W C 2.742 179.117 176.519 -0.239 0.000 1.212 649 W CA 1.207 58.369 57.345 -0.305 0.000 1.260 649 W CB -0.599 28.729 29.460 -0.219 0.000 1.131 649 W HN 0.095 nan 8.180 nan 0.000 0.530 650 H N 0.070 119.199 119.070 0.098 0.000 2.352 650 H HA -0.131 4.615 4.556 0.315 0.000 0.299 650 H C 2.179 177.451 175.328 -0.093 0.000 1.097 650 H CA 1.644 57.707 56.048 0.024 0.000 1.311 650 H CB -0.857 28.898 29.762 -0.012 0.000 1.377 650 H HN 0.235 nan 8.280 nan 0.000 0.504 651 L N -0.018 121.101 121.223 -0.173 0.000 2.044 651 L HA -0.119 4.410 4.340 0.315 0.000 0.205 651 L C 2.775 179.578 176.870 -0.111 0.000 1.075 651 L CA 1.079 55.729 54.840 -0.316 0.000 0.747 651 L CB -0.302 41.465 42.059 -0.487 0.000 0.903 651 L HN 0.087 nan 8.230 nan 0.000 0.435 652 R N 0.947 121.210 120.500 -0.395 0.000 2.105 652 R HA -0.160 4.369 4.340 0.315 0.000 0.239 652 R C 2.405 178.733 176.300 0.047 0.000 1.135 652 R CA 1.800 57.700 56.100 -0.333 0.000 0.967 652 R CB -0.640 29.172 30.300 -0.813 0.000 0.861 652 R HN 0.472 nan 8.270 nan 0.000 0.442 653 S N -0.521 115.273 115.700 0.157 0.000 2.547 653 S HA -0.032 4.628 4.470 0.315 0.000 0.235 653 S C 0.859 175.633 174.600 0.291 0.000 0.980 653 S CA 0.872 59.221 58.200 0.247 0.000 0.941 653 S CB -0.104 63.243 63.200 0.244 0.000 0.763 653 S HN 0.505 nan 8.310 nan 0.000 0.532 654 E N 0.098 120.435 120.200 0.229 0.000 2.548 654 E HA 0.248 4.787 4.350 0.315 0.000 0.206 654 E C 0.661 177.225 176.600 -0.060 0.000 1.005 654 E CA -0.292 56.154 56.400 0.076 0.000 0.951 654 E CB 0.113 29.885 29.700 0.120 0.000 1.035 654 E HN 0.436 nan 8.360 nan 0.000 0.470 655 M N 0.960 120.621 119.600 0.102 0.000 2.549 655 M HA -0.083 4.586 4.480 0.315 0.000 0.260 655 M C 1.827 178.147 176.300 0.033 0.000 1.076 655 M CA 1.238 56.571 55.300 0.056 0.000 1.090 655 M CB -0.834 31.820 32.600 0.090 0.000 1.418 655 M HN 0.292 nan 8.290 nan 0.000 0.486 656 H N -1.015 118.064 119.070 0.016 0.000 2.539 656 H HA 0.239 4.986 4.556 0.317 0.000 0.267 656 H C -0.139 175.187 175.328 -0.003 0.000 0.982 656 H CA 0.109 56.165 56.048 0.012 0.000 1.146 656 H CB -0.553 29.223 29.762 0.023 0.000 1.382 656 H HN 0.085 nan 8.280 nan 0.000 0.577 657 V N 3.743 123.374 119.914 -0.472 0.000 2.318 657 V HA 0.129 4.439 4.120 0.315 0.000 0.271 657 V C -1.498 174.475 176.094 -0.202 0.000 1.030 657 V CA -1.263 60.817 62.300 -0.366 0.000 0.844 657 V CB 1.629 33.167 31.823 -0.474 0.000 1.015 657 V HN 0.099 nan 8.190 nan 0.000 0.460 658 P HA -0.151 nan 4.420 nan 0.000 0.217 658 P C 1.787 179.127 177.300 0.066 0.000 1.148 658 P CA 1.576 64.707 63.100 0.053 0.000 0.828 658 P CB 0.176 31.999 31.700 0.204 0.000 0.783 659 S N -1.382 114.260 115.700 -0.097 0.000 2.474 659 S HA -0.065 4.594 4.470 0.315 0.000 0.235 659 S C 1.511 175.944 174.600 -0.279 0.000 0.997 659 S CA 1.212 59.255 58.200 -0.261 0.000 0.949 659 S CB -1.213 61.595 63.200 -0.654 0.000 0.766 659 S HN 0.194 nan 8.310 nan 0.000 0.517 660 V N -3.658 116.035 119.914 -0.369 0.000 3.398 660 V HA 0.703 5.013 4.120 0.315 0.000 0.298 660 V C 1.969 177.767 176.094 -0.493 0.000 1.496 660 V CA -0.000 61.935 62.300 -0.608 0.000 1.044 660 V CB -0.560 30.554 31.823 -1.182 0.000 0.880 660 V HN 0.341 nan 8.190 nan 0.000 0.443 661 A N 1.623 124.297 122.820 -0.243 0.000 1.873 661 A HA -0.149 4.360 4.320 0.315 0.000 0.218 661 A C 2.033 179.619 177.584 0.002 0.000 1.193 661 A CA 2.537 54.520 52.037 -0.090 0.000 0.629 661 A CB -0.584 18.397 19.000 -0.031 0.000 0.826 661 A HN 0.651 nan 8.150 nan 0.000 0.447 662 L N -0.278 120.943 121.223 -0.003 0.000 1.961 662 L HA -0.156 4.373 4.340 0.315 0.000 0.210 662 L C 2.474 179.295 176.870 -0.082 0.000 1.072 662 L CA 2.651 57.509 54.840 0.030 0.000 0.749 662 L CB -0.839 41.218 42.059 -0.005 0.000 0.889 662 L HN 0.490 nan 8.230 nan 0.000 0.432 663 R N -1.281 119.142 120.500 -0.128 0.000 2.143 663 R HA -0.262 4.267 4.340 0.315 0.000 0.239 663 R C 2.293 178.648 176.300 0.092 0.000 1.126 663 R CA 2.563 58.593 56.100 -0.117 0.000 0.927 663 R CB -0.597 29.671 30.300 -0.054 0.000 0.860 663 R HN 0.389 nan 8.270 nan 0.000 0.433 664 F N -0.019 119.864 119.950 -0.112 0.000 2.171 664 F HA -0.020 4.695 4.527 0.315 0.000 0.300 664 F C 2.495 178.275 175.800 -0.033 0.000 1.090 664 F CA 1.175 59.130 58.000 -0.074 0.000 1.293 664 F CB -1.420 37.532 39.000 -0.080 0.000 1.013 664 F HN 0.263 nan 8.300 nan 0.000 0.486 665 G N 0.248 109.172 108.800 0.206 0.000 2.421 665 G HA2 -0.207 3.942 3.960 0.315 0.000 0.216 665 G HA3 -0.207 3.942 3.960 0.315 0.000 0.216 665 G C 1.905 176.911 174.900 0.177 0.000 1.171 665 G CA 0.718 45.972 45.100 0.256 0.000 0.775 665 G HN 0.323 nan 8.290 nan 0.000 0.543 666 L N 0.085 121.259 121.223 -0.082 0.000 2.042 666 L HA -0.073 4.456 4.340 0.315 0.000 0.210 666 L C 2.898 179.907 176.870 0.231 0.000 1.076 666 L CA 0.858 55.599 54.840 -0.165 0.000 0.749 666 L CB -0.387 41.365 42.059 -0.512 0.000 0.893 666 L HN 0.240 nan 8.230 nan 0.000 0.432 667 I N -0.853 119.839 120.570 0.202 0.000 2.252 667 I HA -0.317 4.042 4.170 0.315 0.000 0.245 667 I C 2.608 178.851 176.117 0.210 0.000 1.102 667 I CA 1.388 62.847 61.300 0.265 0.000 1.385 667 I CB -0.224 37.860 38.000 0.140 0.000 1.064 667 I HN 0.247 nan 8.210 nan 0.000 0.414 668 M N 0.114 119.808 119.600 0.156 0.000 2.159 668 M HA -0.224 4.445 4.480 0.315 0.000 0.263 668 M C 2.342 178.802 176.300 0.265 0.000 1.063 668 M CA 1.712 57.130 55.300 0.197 0.000 1.110 668 M CB -0.453 32.219 32.600 0.121 0.000 1.374 668 M HN 0.255 nan 8.290 nan 0.000 0.411 669 E N 0.818 121.161 120.200 0.239 0.000 2.038 669 E HA -0.227 4.312 4.350 0.315 0.000 0.195 669 E C 1.966 178.677 176.600 0.185 0.000 1.000 669 E CA 1.565 58.098 56.400 0.222 0.000 0.803 669 E CB -0.074 29.779 29.700 0.255 0.000 0.750 669 E HN 0.445 nan 8.360 nan 0.000 0.448 670 A N 0.429 123.363 122.820 0.190 0.000 1.917 670 A HA -0.247 4.263 4.320 0.315 0.000 0.219 670 A C 2.137 179.811 177.584 0.150 0.000 1.182 670 A CA 1.812 53.929 52.037 0.134 0.000 0.633 670 A CB -1.170 17.888 19.000 0.096 0.000 0.819 670 A HN 0.658 nan 8.150 nan 0.000 0.448 671 Y N 0.124 120.480 120.300 0.094 0.000 2.145 671 Y HA -0.289 4.450 4.550 0.315 0.000 0.286 671 Y C 2.624 178.563 175.900 0.065 0.000 1.145 671 Y CA 1.578 59.729 58.100 0.086 0.000 1.148 671 Y CB -0.859 37.660 38.460 0.099 0.000 0.981 671 Y HN 0.381 nan 8.280 nan 0.000 0.507 672 C N 1.177 120.535 119.300 0.097 0.000 2.401 672 C HA -0.225 4.424 4.460 0.315 0.000 0.276 672 C C 2.725 177.663 174.990 -0.086 0.000 1.233 672 C CA 1.302 60.304 59.018 -0.026 0.000 1.753 672 C CB -1.143 26.636 27.740 0.066 0.000 2.029 672 C HN 0.538 nan 8.230 nan 0.000 0.478 673 R N 0.503 120.984 120.500 -0.032 0.000 2.096 673 R HA -0.077 4.452 4.340 0.315 0.000 0.235 673 R C 2.373 178.619 176.300 -0.091 0.000 1.127 673 R CA 1.663 57.742 56.100 -0.036 0.000 0.968 673 R CB -1.369 28.930 30.300 -0.001 0.000 0.861 673 R HN 0.621 nan 8.270 nan 0.000 0.440 674 G N -0.529 108.182 108.800 -0.148 0.000 2.679 674 G HA2 -0.108 4.041 3.960 0.315 0.000 0.212 674 G HA3 -0.108 4.041 3.960 0.315 0.000 0.212 674 G C 0.269 175.014 174.900 -0.259 0.000 1.137 674 G CA 0.351 45.330 45.100 -0.202 0.000 0.787 674 G HN 0.269 nan 8.290 nan 0.000 0.534 675 S N -1.203 114.324 115.700 -0.289 0.000 2.357 675 S HA 0.309 4.968 4.470 0.315 0.000 0.209 675 S C 1.063 175.614 174.600 -0.082 0.000 0.981 675 S CA -0.189 57.902 58.200 -0.181 0.000 1.106 675 S CB 0.192 63.274 63.200 -0.197 0.000 1.266 675 S HN 0.052 nan 8.310 nan 0.000 0.410 676 T N 3.107 117.648 114.554 -0.022 0.000 2.720 676 T HA -0.149 4.390 4.350 0.315 0.000 0.268 676 T C 1.658 176.393 174.700 0.058 0.000 1.037 676 T CA 1.598 63.703 62.100 0.009 0.000 1.144 676 T CB -0.427 68.449 68.868 0.014 0.000 0.864 676 T HN 0.781 nan 8.240 nan 0.000 0.444 677 H N 0.437 119.527 119.070 0.032 0.000 2.326 677 H HA -0.083 4.663 4.556 0.316 0.000 0.301 677 H C 2.223 177.627 175.328 0.126 0.000 1.081 677 H CA 1.793 57.885 56.048 0.075 0.000 1.334 677 H CB -0.429 29.393 29.762 0.100 0.000 1.385 677 H HN 0.576 nan 8.280 nan 0.000 0.504 678 H N -0.091 119.082 119.070 0.172 0.000 2.423 678 H HA -0.099 4.646 4.556 0.315 0.000 0.297 678 H C 2.609 177.911 175.328 -0.042 0.000 1.075 678 H CA 0.857 56.972 56.048 0.111 0.000 1.342 678 H CB 0.135 29.987 29.762 0.150 0.000 1.395 678 H HN 0.353 nan 8.280 nan 0.000 0.530 679 M N 0.966 120.520 119.600 -0.076 0.000 2.082 679 M HA -0.220 4.449 4.480 0.315 0.000 0.258 679 M C 1.882 178.075 176.300 -0.178 0.000 1.069 679 M CA 1.878 57.068 55.300 -0.182 0.000 1.102 679 M CB -0.023 32.519 32.600 -0.096 0.000 1.336 679 M HN 0.108 nan 8.290 nan 0.000 0.404 680 K N -0.543 119.780 120.400 -0.128 0.000 2.211 680 K HA -0.075 4.434 4.320 0.315 0.000 0.203 680 K C 1.744 178.273 176.600 -0.118 0.000 1.050 680 K CA 1.249 57.458 56.287 -0.130 0.000 0.945 680 K CB -0.043 32.359 32.500 -0.165 0.000 0.732 680 K HN 0.282 nan 8.250 nan 0.000 0.451 681 V N 1.361 121.216 119.914 -0.098 0.000 2.453 681 V HA -0.175 4.134 4.120 0.315 0.000 0.247 681 V C 2.018 178.100 176.094 -0.020 0.000 1.048 681 V CA 1.365 63.671 62.300 0.010 0.000 1.049 681 V CB -0.276 31.673 31.823 0.211 0.000 0.672 681 V HN 0.255 nan 8.190 nan 0.000 0.457 682 L N -1.029 120.070 121.223 -0.207 0.000 2.093 682 L HA -0.174 4.355 4.340 0.315 0.000 0.208 682 L C 2.507 179.267 176.870 -0.183 0.000 1.085 682 L CA 1.545 56.165 54.840 -0.368 0.000 0.755 682 L CB -0.477 40.959 42.059 -1.038 0.000 0.904 682 L HN 0.303 nan 8.230 nan 0.000 0.435 683 M N -0.370 119.143 119.600 -0.145 0.000 2.086 683 M HA -0.207 4.462 4.480 0.315 0.000 0.261 683 M C 2.355 178.667 176.300 0.020 0.000 1.067 683 M CA 1.529 56.803 55.300 -0.044 0.000 1.116 683 M CB -0.409 32.165 32.600 -0.043 0.000 1.348 683 M HN 0.017 nan 8.290 nan 0.000 0.407 684 K N 1.045 121.454 120.400 0.014 0.000 2.074 684 K HA -0.205 4.304 4.320 0.315 0.000 0.209 684 K C 1.784 178.434 176.600 0.083 0.000 1.048 684 K CA 1.898 58.211 56.287 0.043 0.000 0.926 684 K CB -0.348 32.178 32.500 0.043 0.000 0.713 684 K HN 0.401 nan 8.250 nan 0.000 0.444 685 Q N -1.024 118.853 119.800 0.127 0.000 2.084 685 Q HA -0.057 4.472 4.340 0.315 0.000 0.202 685 Q C 2.166 178.326 176.000 0.268 0.000 0.978 685 Q CA 1.571 57.506 55.803 0.220 0.000 0.844 685 Q CB -0.407 28.562 28.738 0.384 0.000 0.898 685 Q HN 0.569 nan 8.270 nan 0.000 0.426 686 G N 0.760 109.739 108.800 0.298 0.000 2.432 686 G HA2 -0.261 3.888 3.960 0.315 0.000 0.219 686 G HA3 -0.261 3.888 3.960 0.315 0.000 0.219 686 G C 1.006 176.000 174.900 0.158 0.000 1.135 686 G CA 0.721 46.005 45.100 0.307 0.000 0.767 686 G HN 0.329 nan 8.290 nan 0.000 0.550 687 E N 0.543 120.797 120.200 0.091 0.000 2.077 687 E HA -0.019 4.520 4.350 0.315 0.000 0.193 687 E C 2.899 179.495 176.600 -0.007 0.000 0.989 687 E CA 0.814 57.230 56.400 0.027 0.000 0.800 687 E CB -0.172 29.533 29.700 0.008 0.000 0.746 687 E HN 0.412 nan 8.360 nan 0.000 0.452 688 A N 1.075 123.907 122.820 0.020 0.000 1.902 688 A HA -0.147 4.362 4.320 0.315 0.000 0.217 688 A C 2.184 179.744 177.584 -0.040 0.000 1.181 688 A CA 1.024 53.057 52.037 -0.007 0.000 0.623 688 A CB -0.616 18.406 19.000 0.036 0.000 0.818 688 A HN 0.137 nan 8.150 nan 0.000 0.443 689 L N -0.465 120.772 121.223 0.023 0.000 2.131 689 L HA -0.158 4.371 4.340 0.315 0.000 0.210 689 L C 2.937 179.809 176.870 0.003 0.000 1.092 689 L CA 1.432 56.295 54.840 0.039 0.000 0.759 689 L CB -0.322 41.833 42.059 0.160 0.000 0.903 689 L HN 0.537 nan 8.230 nan 0.000 0.435 690 S N -0.356 115.355 115.700 0.018 0.000 2.368 690 S HA -0.170 4.489 4.470 0.315 0.000 0.225 690 S C 2.139 176.686 174.600 -0.088 0.000 1.030 690 S CA 1.113 59.311 58.200 -0.003 0.000 0.999 690 S CB -0.002 63.203 63.200 0.009 0.000 0.844 690 S HN 0.238 nan 8.310 nan 0.000 0.459 691 K N 0.935 121.235 120.400 -0.167 0.000 2.097 691 K HA 0.090 4.599 4.320 0.315 0.000 0.205 691 K C 2.132 178.637 176.600 -0.159 0.000 1.050 691 K CA 0.872 56.998 56.287 -0.269 0.000 0.938 691 K CB -0.714 31.505 32.500 -0.468 0.000 0.718 691 K HN 0.439 nan 8.250 nan 0.000 0.442 692 L N 0.943 121.982 121.223 -0.307 0.000 2.083 692 L HA -0.198 4.331 4.340 0.315 0.000 0.209 692 L C 2.500 178.985 176.870 -0.641 0.000 1.083 692 L CA 1.108 55.590 54.840 -0.597 0.000 0.752 692 L CB -0.443 40.933 42.059 -1.138 0.000 0.899 692 L HN 0.057 nan 8.230 nan 0.000 0.433 693 K N 0.880 121.018 120.400 -0.437 0.000 2.032 693 K HA -0.164 4.345 4.320 0.315 0.000 0.209 693 K C 2.025 178.668 176.600 0.072 0.000 1.048 693 K CA 1.878 58.179 56.287 0.025 0.000 0.927 693 K CB -0.499 32.103 32.500 0.170 0.000 0.712 693 K HN 0.211 nan 8.250 nan 0.000 0.441 694 A N 0.354 123.203 122.820 0.047 0.000 1.933 694 A HA -0.086 4.424 4.320 0.315 0.000 0.218 694 A C 2.167 179.845 177.584 0.158 0.000 1.175 694 A CA 1.591 53.696 52.037 0.112 0.000 0.628 694 A CB -0.663 18.409 19.000 0.120 0.000 0.814 694 A HN 0.371 nan 8.150 nan 0.000 0.444 695 L N 0.106 121.420 121.223 0.152 0.000 2.109 695 L HA -0.081 4.448 4.340 0.315 0.000 0.207 695 L C 1.998 178.955 176.870 0.145 0.000 1.086 695 L CA 2.002 56.928 54.840 0.144 0.000 0.760 695 L CB -0.649 41.485 42.059 0.126 0.000 0.910 695 L HN 0.386 nan 8.230 nan 0.000 0.437 696 N N -0.008 118.760 118.700 0.113 0.000 2.166 696 N HA -0.204 4.725 4.740 0.315 0.000 0.186 696 N C 1.426 177.003 175.510 0.112 0.000 1.019 696 N CA 1.543 54.688 53.050 0.157 0.000 0.856 696 N CB -0.154 38.543 38.487 0.349 0.000 0.993 696 N HN 0.390 nan 8.380 nan 0.000 0.426 697 D N -0.369 120.108 120.400 0.128 0.000 2.117 697 D HA -0.145 4.684 4.640 0.315 0.000 0.197 697 D C 1.679 178.018 176.300 0.065 0.000 0.987 697 D CA 0.526 54.580 54.000 0.091 0.000 0.829 697 D CB -0.540 40.321 40.800 0.101 0.000 0.961 697 D HN 0.300 nan 8.370 nan 0.000 0.460 698 F N 1.419 121.351 119.950 -0.031 0.000 2.095 698 F HA -0.221 4.281 4.527 -0.042 0.000 0.298 698 F C 2.140 177.866 175.800 -0.122 0.000 1.104 698 F CA 1.110 59.071 58.000 -0.064 0.000 1.232 698 F CB -0.344 38.614 39.000 -0.070 0.000 0.987 698 F HN -0.206 nan 8.300 nan 0.000 0.475 699 V N 0.782 120.564 119.914 -0.220 0.000 2.358 699 V HA -0.286 4.023 4.120 0.315 0.000 0.246 699 V C 2.404 178.195 176.094 -0.505 0.000 1.047 699 V CA 2.168 64.170 62.300 -0.498 0.000 1.035 699 V CB -0.666 30.893 31.823 -0.440 0.000 0.658 699 V HN 0.288 nan 8.190 nan 0.000 0.452 700 K N -0.324 119.908 120.400 -0.280 0.000 2.020 700 K HA -0.192 4.317 4.320 0.315 0.000 0.212 700 K C 2.053 178.527 176.600 -0.211 0.000 1.050 700 K CA 1.815 57.988 56.287 -0.189 0.000 0.929 700 K CB -0.537 31.915 32.500 -0.081 0.000 0.714 700 K HN 0.319 nan 8.250 nan 0.000 0.443 701 V N 0.723 120.498 119.914 -0.233 0.000 2.237 701 V HA -0.276 4.033 4.120 0.315 0.000 0.245 701 V C 2.434 178.344 176.094 -0.307 0.000 1.046 701 V CA 2.123 64.290 62.300 -0.221 0.000 1.007 701 V CB -0.549 31.165 31.823 -0.181 0.000 0.638 701 V HN 0.409 nan 8.190 nan 0.000 0.445 702 S N 0.638 116.006 115.700 -0.554 0.000 2.374 702 S HA -0.242 4.417 4.470 0.315 0.000 0.227 702 S C 2.251 176.664 174.600 -0.312 0.000 1.037 702 S CA 2.349 60.215 58.200 -0.557 0.000 1.024 702 S CB -0.484 62.101 63.200 -1.025 0.000 0.861 702 S HN 0.835 nan 8.310 nan 0.000 0.456 703 S N 0.367 115.886 115.700 -0.302 0.000 2.447 703 S HA -0.033 4.627 4.470 0.315 0.000 0.233 703 S C 1.728 176.283 174.600 -0.074 0.000 1.006 703 S CA 0.624 58.741 58.200 -0.139 0.000 0.957 703 S CB -0.476 62.649 63.200 -0.124 0.000 0.773 703 S HN 0.530 nan 8.310 nan 0.000 0.507 704 Q N 1.098 120.838 119.800 -0.100 0.000 2.436 704 Q HA 0.155 4.684 4.340 0.315 0.000 0.209 704 Q C 1.180 177.146 176.000 -0.056 0.000 0.965 704 Q CA 0.902 56.667 55.803 -0.063 0.000 0.910 704 Q CB -0.132 28.569 28.738 -0.061 0.000 0.980 704 Q HN 0.736 nan 8.270 nan 0.000 0.491 705 K N -1.156 119.200 120.400 -0.074 0.000 2.440 705 K HA 0.176 4.686 4.320 0.315 0.000 0.207 705 K C 0.514 177.088 176.600 -0.043 0.000 1.112 705 K CA 0.110 56.363 56.287 -0.056 0.000 1.036 705 K CB 1.434 33.895 32.500 -0.065 0.000 0.935 705 K HN -0.101 nan 8.250 nan 0.000 0.564 706 T N 0.257 114.785 114.554 -0.043 0.000 2.762 706 T HA 0.177 4.716 4.350 0.315 0.000 0.301 706 T C -1.200 173.500 174.700 -0.001 0.000 1.299 706 T CA -0.604 61.482 62.100 -0.022 0.000 1.005 706 T CB 1.519 70.373 68.868 -0.024 0.000 1.377 706 T HN 0.175 nan 8.240 nan 0.000 0.504 707 T N 0.277 114.837 114.554 0.009 0.000 2.899 707 T HA 0.330 4.869 4.350 0.315 0.000 0.295 707 T C 1.333 176.062 174.700 0.050 0.000 1.033 707 T CA -0.277 61.835 62.100 0.020 0.000 1.084 707 T CB 0.950 69.822 68.868 0.007 0.000 0.979 707 T HN 0.769 nan 8.240 nan 0.000 0.532 708 K N 1.720 122.154 120.400 0.057 0.000 2.044 708 K HA -0.086 4.424 4.320 0.315 0.000 0.210 708 K C -0.850 175.784 176.600 0.057 0.000 1.049 708 K CA 1.601 57.942 56.287 0.089 0.000 0.927 708 K CB -1.259 31.207 32.500 -0.057 0.000 0.713 708 K HN 0.470 nan 8.250 nan 0.000 0.443 709 P HA -0.175 nan 4.420 nan 0.000 0.216 709 P C 0.856 178.165 177.300 0.016 0.000 1.153 709 P CA 1.506 64.603 63.100 -0.005 0.000 0.858 709 P CB 0.018 31.711 31.700 -0.011 0.000 0.789 710 Q N -1.504 118.313 119.800 0.029 0.000 2.119 710 Q HA -0.087 4.442 4.340 0.315 0.000 0.201 710 Q C 2.053 178.087 176.000 0.057 0.000 0.972 710 Q CA 1.657 57.480 55.803 0.033 0.000 0.847 710 Q CB -0.620 28.133 28.738 0.025 0.000 0.903 710 Q HN 0.234 nan 8.270 nan 0.000 0.433 711 T N 0.769 115.373 114.554 0.083 0.000 2.821 711 T HA -0.144 4.396 4.350 0.315 0.000 0.267 711 T C 1.652 176.442 174.700 0.151 0.000 1.046 711 T CA 1.216 63.372 62.100 0.093 0.000 1.139 711 T CB -0.063 68.823 68.868 0.029 0.000 0.871 711 T HN 0.223 nan 8.240 nan 0.000 0.454 712 K N 0.868 121.362 120.400 0.156 0.000 2.026 712 K HA -0.162 4.347 4.320 0.315 0.000 0.208 712 K C 2.327 178.714 176.600 -0.355 0.000 1.048 712 K CA 1.426 57.694 56.287 -0.032 0.000 0.929 712 K CB -0.078 32.380 32.500 -0.070 0.000 0.713 712 K HN 0.034 nan 8.250 nan 0.000 0.439 713 E N 0.879 120.968 120.200 -0.185 0.000 2.085 713 E HA -0.173 4.366 4.350 0.315 0.000 0.194 713 E C 1.888 178.465 176.600 -0.040 0.000 0.994 713 E CA 1.713 58.044 56.400 -0.114 0.000 0.801 713 E CB -0.104 29.589 29.700 -0.012 0.000 0.743 713 E HN 0.367 nan 8.360 nan 0.000 0.453 714 M N -0.754 118.864 119.600 0.030 0.000 2.254 714 M HA -0.062 4.607 4.480 0.315 0.000 0.265 714 M C 2.356 178.629 176.300 -0.046 0.000 1.066 714 M CA 1.071 56.401 55.300 0.050 0.000 1.123 714 M CB -0.206 32.531 32.600 0.228 0.000 1.388 714 M HN 0.236 nan 8.290 nan 0.000 0.425 715 M N -0.088 119.560 119.600 0.080 0.000 2.082 715 M HA -0.296 4.373 4.480 0.315 0.000 0.258 715 M C 1.838 178.134 176.300 -0.006 0.000 1.069 715 M CA 2.072 57.381 55.300 0.015 0.000 1.102 715 M CB -0.450 32.215 32.600 0.108 0.000 1.336 715 M HN 0.339 nan 8.290 nan 0.000 0.404 716 H N -0.408 118.648 119.070 -0.024 0.000 2.319 716 H HA -0.169 4.582 4.556 0.324 0.000 0.299 716 H C 2.208 177.474 175.328 -0.102 0.000 1.092 716 H CA 1.760 57.778 56.048 -0.050 0.000 1.302 716 H CB -0.196 29.559 29.762 -0.012 0.000 1.373 716 H HN 0.457 nan 8.280 nan 0.000 0.497 717 M N -0.032 119.577 119.600 0.015 0.000 2.073 717 M HA -0.249 4.420 4.480 0.315 0.000 0.258 717 M C 2.848 179.033 176.300 -0.191 0.000 1.070 717 M CA 1.236 56.490 55.300 -0.077 0.000 1.103 717 M CB -0.571 31.977 32.600 -0.086 0.000 1.321 717 M HN 0.422 nan 8.290 nan 0.000 0.405 718 C N 1.061 120.165 119.300 -0.326 0.000 2.413 718 C HA -0.182 4.467 4.460 0.315 0.000 0.276 718 C C 2.768 177.378 174.990 -0.633 0.000 1.248 718 C CA 1.176 59.863 59.018 -0.552 0.000 1.742 718 C CB -0.742 26.546 27.740 -0.753 0.000 2.017 718 C HN 0.543 nan 8.230 nan 0.000 0.481 719 M N -0.347 119.019 119.600 -0.391 0.000 2.229 719 M HA -0.087 4.582 4.480 0.315 0.000 0.264 719 M C 2.261 178.510 176.300 -0.085 0.000 1.063 719 M CA 1.456 56.630 55.300 -0.211 0.000 1.114 719 M CB -0.468 32.095 32.600 -0.062 0.000 1.387 719 M HN 0.366 nan 8.290 nan 0.000 0.420 720 R N 0.145 120.591 120.500 -0.091 0.000 2.307 720 R HA 0.054 4.583 4.340 0.315 0.000 0.199 720 R C 0.303 176.590 176.300 -0.022 0.000 1.000 720 R CA 0.141 56.215 56.100 -0.043 0.000 1.023 720 R CB -0.070 30.207 30.300 -0.038 0.000 0.908 720 R HN 0.530 nan 8.270 nan 0.000 0.473 721 Q N 0.610 120.389 119.800 -0.034 0.000 2.395 721 Q HA -0.056 4.473 4.340 0.315 0.000 0.271 721 Q C 0.665 176.716 176.000 0.084 0.000 1.026 721 Q CA 0.161 55.977 55.803 0.022 0.000 0.900 721 Q CB 0.824 29.582 28.738 0.034 0.000 1.266 721 Q HN 0.182 nan 8.270 nan 0.000 0.430 722 E N 0.590 120.828 120.200 0.063 0.000 2.049 722 E HA -0.261 4.278 4.350 0.315 0.000 0.198 722 E C 1.966 178.608 176.600 0.070 0.000 1.007 722 E CA 2.060 58.494 56.400 0.058 0.000 0.809 722 E CB -0.048 29.676 29.700 0.040 0.000 0.749 722 E HN 0.856 nan 8.360 nan 0.000 0.450 723 T N -0.968 113.633 114.554 0.079 0.000 2.699 723 T HA -0.259 4.280 4.350 0.315 0.000 0.268 723 T C 1.796 176.497 174.700 0.002 0.000 1.036 723 T CA 1.519 63.641 62.100 0.036 0.000 1.147 723 T CB -0.659 68.228 68.868 0.032 0.000 0.862 723 T HN 0.158 nan 8.240 nan 0.000 0.446 724 Y N 1.016 121.301 120.300 -0.025 0.000 2.153 724 Y HA 0.131 4.886 4.550 0.342 0.000 0.289 724 Y C 2.954 178.836 175.900 -0.029 0.000 1.127 724 Y CA 0.981 59.061 58.100 -0.032 0.000 1.131 724 Y CB -0.403 38.029 38.460 -0.048 0.000 0.995 724 Y HN 0.046 nan 8.280 nan 0.000 0.505 725 M N -0.112 119.567 119.600 0.132 0.000 2.144 725 M HA -0.252 4.418 4.480 0.315 0.000 0.260 725 M C 2.052 178.366 176.300 0.024 0.000 1.067 725 M CA 1.593 56.922 55.300 0.050 0.000 1.095 725 M CB -0.993 31.627 32.600 0.032 0.000 1.365 725 M HN 0.372 nan 8.290 nan 0.000 0.406 726 E N -0.039 120.183 120.200 0.036 0.000 2.028 726 E HA -0.100 4.439 4.350 0.315 0.000 0.191 726 E C 2.000 178.610 176.600 0.016 0.000 0.988 726 E CA 1.332 57.754 56.400 0.035 0.000 0.799 726 E CB 0.084 29.806 29.700 0.036 0.000 0.755 726 E HN 0.460 nan 8.360 nan 0.000 0.447 727 A N 0.782 123.590 122.820 -0.021 0.000 2.015 727 A HA -0.096 4.413 4.320 0.315 0.000 0.219 727 A C 2.083 179.661 177.584 -0.010 0.000 1.163 727 A CA 0.863 52.874 52.037 -0.043 0.000 0.646 727 A CB -0.321 18.600 19.000 -0.132 0.000 0.806 727 A HN 0.205 nan 8.150 nan 0.000 0.448 728 L N -0.537 120.693 121.223 0.010 0.000 2.529 728 L HA 0.106 4.635 4.340 0.315 0.000 0.223 728 L C 0.242 177.184 176.870 0.121 0.000 1.113 728 L CA -0.079 54.801 54.840 0.067 0.000 0.861 728 L CB 0.118 42.217 42.059 0.067 0.000 1.012 728 L HN 0.180 nan 8.230 nan 0.000 0.461 729 S N -1.570 114.133 115.700 0.005 0.000 2.638 729 S HA 0.422 5.081 4.470 0.315 0.000 0.298 729 S C -0.379 174.128 174.600 -0.155 0.000 1.111 729 S CA -0.524 57.582 58.200 -0.157 0.000 1.027 729 S CB 0.973 63.878 63.200 -0.493 0.000 1.064 729 S HN 0.272 nan 8.310 nan 0.000 0.525 730 H N -0.072 119.046 119.070 0.080 0.000 2.748 730 H HA -0.136 4.611 4.556 0.317 0.000 0.322 730 H C -0.617 174.722 175.328 0.018 0.000 1.208 730 H CA 0.721 56.791 56.048 0.036 0.000 1.151 730 H CB -2.350 27.440 29.762 0.046 0.000 1.505 730 H HN 0.590 nan 8.280 nan 0.000 0.429 731 L N -2.488 118.763 121.223 0.046 0.000 2.283 731 L HA 0.665 5.194 4.340 0.315 0.000 0.259 731 L C 0.280 177.135 176.870 -0.024 0.000 1.027 731 L CA -1.314 53.544 54.840 0.030 0.000 0.828 731 L CB 1.836 43.910 42.059 0.026 0.000 1.380 731 L HN -0.003 nan 8.230 nan 0.000 0.425 732 Q N 0.785 120.602 119.800 0.029 0.000 2.259 732 Q HA 0.316 4.845 4.340 0.315 0.000 0.246 732 Q C -0.372 175.632 176.000 0.008 0.000 0.920 732 Q CA -0.504 55.306 55.803 0.012 0.000 0.895 732 Q CB 1.693 30.493 28.738 0.104 0.000 1.220 732 Q HN 0.711 nan 8.270 nan 0.000 0.439 733 S N 1.922 117.594 115.700 -0.047 0.000 2.528 733 S HA 0.154 4.813 4.470 0.315 0.000 0.277 733 S C -1.827 172.795 174.600 0.038 0.000 1.297 733 S CA -1.522 56.651 58.200 -0.045 0.000 1.052 733 S CB 0.548 63.703 63.200 -0.075 0.000 0.917 733 S HN 0.358 nan 8.310 nan 0.000 0.492 734 P HA -0.002 nan 4.420 nan 0.000 0.220 734 P C 1.202 178.546 177.300 0.074 0.000 1.148 734 P CA 0.804 63.907 63.100 0.004 0.000 0.803 734 P CB 0.045 31.442 31.700 -0.504 0.000 0.782 735 L N -1.430 119.827 121.223 0.057 0.000 2.191 735 L HA -0.065 4.464 4.340 0.315 0.000 0.212 735 L C 0.493 177.529 176.870 0.278 0.000 1.103 735 L CA 1.112 56.058 54.840 0.176 0.000 0.769 735 L CB -0.354 41.772 42.059 0.112 0.000 0.908 735 L HN 0.035 nan 8.230 nan 0.000 0.438 736 D N -1.786 118.673 120.400 0.099 0.000 2.251 736 D HA 0.065 4.894 4.640 0.315 0.000 0.210 736 D C -2.170 174.043 176.300 -0.145 0.000 1.304 736 D CA -1.099 52.938 54.000 0.062 0.000 0.912 736 D CB 1.179 42.039 40.800 0.100 0.000 1.553 736 D HN -0.266 nan 8.370 nan 0.000 0.526 737 P HA -0.119 nan 4.420 nan 0.000 0.226 737 P C 0.934 178.199 177.300 -0.058 0.000 1.146 737 P CA 0.720 63.612 63.100 -0.346 0.000 0.773 737 P CB 0.201 31.553 31.700 -0.581 0.000 0.772 738 S N -2.465 113.227 115.700 -0.014 0.000 2.528 738 S HA 0.047 4.706 4.470 0.315 0.000 0.219 738 S C 0.961 175.556 174.600 -0.008 0.000 0.985 738 S CA 0.013 58.261 58.200 0.078 0.000 0.914 738 S CB -1.108 62.152 63.200 0.099 0.000 0.776 738 S HN -0.002 nan 8.310 nan 0.000 0.526 739 T N 3.480 118.009 114.554 -0.043 0.000 2.780 739 T HA 0.475 5.014 4.350 0.315 0.000 0.294 739 T C -0.368 174.257 174.700 -0.126 0.000 0.949 739 T CA -0.342 61.714 62.100 -0.073 0.000 1.074 739 T CB 0.626 69.467 68.868 -0.045 0.000 0.910 739 T HN 0.266 nan 8.240 nan 0.000 0.501 740 L N 4.689 125.817 121.223 -0.158 0.000 2.275 740 L HA 0.462 4.992 4.340 0.315 0.000 0.288 740 L C -0.172 176.586 176.870 -0.187 0.000 1.046 740 L CA -0.746 53.984 54.840 -0.183 0.000 0.805 740 L CB 0.820 42.755 42.059 -0.207 0.000 1.193 740 L HN 0.419 nan 8.230 nan 0.000 0.426 741 L N 4.043 125.102 121.223 -0.274 0.000 2.272 741 L HA 0.291 4.820 4.340 0.315 0.000 0.284 741 L C 0.719 177.444 176.870 -0.243 0.000 1.045 741 L CA -0.406 54.108 54.840 -0.543 0.000 0.842 741 L CB 0.803 42.158 42.059 -1.173 0.000 1.224 741 L HN 0.659 nan 8.230 nan 0.000 0.430 742 E N 2.729 122.927 120.200 -0.004 0.000 2.551 742 E HA 0.067 4.606 4.350 0.315 0.000 0.286 742 E C 0.134 176.781 176.600 0.077 0.000 0.719 742 E CA 0.205 56.689 56.400 0.139 0.000 1.509 742 E CB 0.154 29.953 29.700 0.164 0.000 1.531 742 E HN 0.511 nan 8.360 nan 0.000 0.526 743 E N 2.308 122.578 120.200 0.118 0.000 2.194 743 E HA 0.206 4.745 4.350 0.315 0.000 0.284 743 E C 0.160 176.782 176.600 0.037 0.000 1.035 743 E CA -0.335 56.080 56.400 0.025 0.000 0.836 743 E CB 1.592 31.317 29.700 0.041 0.000 1.070 743 E HN -0.017 nan 8.360 nan 0.000 0.401 744 V N 3.188 123.036 119.914 -0.110 0.000 2.655 744 V HA -0.058 4.251 4.120 0.315 0.000 0.300 744 V C -0.263 175.677 176.094 -0.257 0.000 1.044 744 V CA -0.359 61.673 62.300 -0.447 0.000 1.095 744 V CB 0.825 32.379 31.823 -0.447 0.000 0.952 744 V HN 0.942 nan 8.190 nan 0.000 0.485 745 C N 7.339 126.476 119.300 -0.270 0.000 2.125 745 C HA 0.418 5.067 4.460 0.315 0.000 0.355 745 C C 1.419 176.307 174.990 -0.170 0.000 1.047 745 C CA -0.465 58.462 59.018 -0.153 0.000 1.501 745 C CB -0.977 26.709 27.740 -0.089 0.000 1.783 745 C HN 0.884 nan 8.230 nan 0.000 0.455 746 V N 3.862 123.657 119.914 -0.199 0.000 2.343 746 V HA -0.123 4.187 4.120 0.315 0.000 0.247 746 V C 2.486 178.253 176.094 -0.545 0.000 1.051 746 V CA 1.785 63.912 62.300 -0.287 0.000 1.036 746 V CB -0.384 31.276 31.823 -0.272 0.000 0.654 746 V HN 0.743 nan 8.190 nan 0.000 0.451 747 E N -0.205 119.746 120.200 -0.415 0.000 2.153 747 E HA -0.186 4.353 4.350 0.315 0.000 0.194 747 E C 2.167 178.678 176.600 -0.148 0.000 0.988 747 E CA 0.943 57.117 56.400 -0.377 0.000 0.811 747 E CB -0.126 29.487 29.700 -0.144 0.000 0.746 747 E HN 0.557 nan 8.360 nan 0.000 0.466 748 Q N -0.697 119.062 119.800 -0.068 0.000 2.319 748 Q HA 0.066 4.595 4.340 0.315 0.000 0.202 748 Q C 0.289 176.386 176.000 0.161 0.000 0.896 748 Q CA -0.017 55.822 55.803 0.059 0.000 0.942 748 Q CB 0.210 28.987 28.738 0.066 0.000 1.083 748 Q HN 0.182 nan 8.270 nan 0.000 0.510 749 C N 0.270 119.664 119.300 0.156 0.000 2.539 749 C HA 0.647 5.296 4.460 0.315 0.000 0.392 749 C C 1.128 176.339 174.990 0.368 0.000 1.269 749 C CA -0.241 58.936 59.018 0.266 0.000 2.250 749 C CB 0.981 28.827 27.740 0.176 0.000 2.584 749 C HN 0.344 nan 8.230 nan 0.000 0.589 750 T N 0.333 115.091 114.554 0.339 0.000 2.627 750 T HA 0.744 5.283 4.350 0.315 0.000 0.294 750 T C -1.828 173.092 174.700 0.366 0.000 1.230 750 T CA -0.362 61.885 62.100 0.246 0.000 1.084 750 T CB 0.684 69.547 68.868 -0.008 0.000 1.693 750 T HN 0.848 nan 8.240 nan 0.000 0.465 751 F N -0.032 119.973 119.950 0.091 0.000 2.631 751 F HA 0.813 5.533 4.527 0.323 0.000 0.308 751 F C -0.762 175.070 175.800 0.053 0.000 1.097 751 F CA -1.348 56.724 58.000 0.120 0.000 0.952 751 F CB 1.201 40.263 39.000 0.103 0.000 1.307 751 F HN 0.531 nan 8.300 nan 0.000 0.450 752 M N 1.662 121.374 119.600 0.186 0.000 2.283 752 M HA 0.239 4.909 4.480 0.315 0.000 0.314 752 M C 0.005 176.382 176.300 0.128 0.000 1.153 752 M CA -0.277 55.054 55.300 0.052 0.000 1.084 752 M CB 0.690 33.362 32.600 0.120 0.000 1.468 752 M HN 0.670 nan 8.290 nan 0.000 0.474 753 D N -0.276 120.141 120.400 0.029 0.000 2.339 753 D HA 0.039 4.868 4.640 0.315 0.000 0.217 753 D C 0.608 176.955 176.300 0.078 0.000 1.050 753 D CA 0.247 54.281 54.000 0.056 0.000 0.856 753 D CB 0.092 40.878 40.800 -0.024 0.000 0.922 753 D HN 0.563 nan 8.370 nan 0.000 0.518 754 S N -0.292 115.456 115.700 0.079 0.000 2.608 754 S HA 0.100 4.759 4.470 0.315 0.000 0.261 754 S C 1.378 176.023 174.600 0.075 0.000 1.314 754 S CA -0.623 57.617 58.200 0.067 0.000 0.992 754 S CB 1.967 65.206 63.200 0.065 0.000 0.935 754 S HN -0.076 nan 8.310 nan 0.000 0.564 755 K N -0.591 119.842 120.400 0.055 0.000 2.059 755 K HA -0.154 4.355 4.320 0.315 0.000 0.212 755 K C 1.408 178.036 176.600 0.047 0.000 1.050 755 K CA 1.693 58.006 56.287 0.044 0.000 0.927 755 K CB -0.286 32.234 32.500 0.033 0.000 0.714 755 K HN 0.537 nan 8.250 nan 0.000 0.447 756 M N 0.772 120.404 119.600 0.053 0.000 2.618 756 M HA 0.034 4.704 4.480 0.315 0.000 0.240 756 M C -0.340 176.008 176.300 0.080 0.000 1.123 756 M CA 0.418 55.748 55.300 0.050 0.000 1.060 756 M CB -0.174 32.446 32.600 0.034 0.000 1.535 756 M HN -0.054 nan 8.290 nan 0.000 0.507 757 K N -0.366 120.103 120.400 0.116 0.000 3.451 757 K HA -0.156 4.353 4.320 0.315 0.000 0.273 757 K C -2.611 174.129 176.600 0.233 0.000 0.944 757 K CA 0.191 56.594 56.287 0.194 0.000 0.734 757 K CB -1.706 30.831 32.500 0.063 0.000 1.437 757 K HN 0.219 nan 8.250 nan 0.000 0.454 758 P HA 0.039 nan 4.420 nan 0.000 0.271 758 P C 0.040 177.553 177.300 0.355 0.000 1.218 758 P CA -0.173 63.077 63.100 0.250 0.000 0.780 758 P CB 0.621 32.435 31.700 0.192 0.000 0.901 759 L N 2.154 123.609 121.223 0.387 0.000 2.375 759 L HA 0.410 4.939 4.340 0.315 0.000 0.271 759 L C 0.121 177.234 176.870 0.405 0.000 1.107 759 L CA -0.331 54.751 54.840 0.403 0.000 0.806 759 L CB 0.972 43.232 42.059 0.336 0.000 1.146 759 L HN 0.424 nan 8.230 nan 0.000 0.447 760 W N 5.458 126.868 121.300 0.183 0.000 2.393 760 W HA 0.436 5.282 4.660 0.311 0.000 0.315 760 W C -1.678 174.903 176.519 0.104 0.000 1.009 760 W CA -0.593 56.828 57.345 0.128 0.000 1.313 760 W CB 1.393 30.908 29.460 0.091 0.000 1.269 760 W HN 0.251 nan 8.180 nan 0.000 0.420 761 I N 7.303 127.902 120.570 0.048 0.000 2.406 761 I HA 0.339 4.698 4.170 0.315 0.000 0.290 761 I C 0.145 176.215 176.117 -0.078 0.000 0.999 761 I CA -1.022 60.286 61.300 0.014 0.000 1.124 761 I CB 1.537 39.551 38.000 0.024 0.000 1.289 761 I HN 0.245 nan 8.210 nan 0.000 0.441 762 M N 5.904 125.444 119.600 -0.100 0.000 2.472 762 M HA 0.477 5.146 4.480 0.315 0.000 0.331 762 M C -0.984 175.144 176.300 -0.286 0.000 1.170 762 M CA -0.585 54.670 55.300 -0.075 0.000 1.009 762 M CB 1.667 34.287 32.600 0.034 0.000 1.672 762 M HN 0.318 nan 8.290 nan 0.000 0.453 763 Y N -0.444 119.849 120.300 -0.010 0.000 2.545 763 Y HA 0.601 5.343 4.550 0.319 0.000 0.348 763 Y C 0.258 176.155 175.900 -0.004 0.000 1.002 763 Y CA -0.489 57.603 58.100 -0.014 0.000 1.039 763 Y CB 2.242 40.687 38.460 -0.024 0.000 1.271 763 Y HN 0.756 nan 8.280 nan 0.000 0.467 764 S N 0.097 115.896 115.700 0.166 0.000 2.661 764 S HA 0.848 5.507 4.470 0.315 0.000 0.285 764 S C -1.018 173.645 174.600 0.105 0.000 1.138 764 S CA -0.843 57.421 58.200 0.106 0.000 0.855 764 S CB 1.897 65.135 63.200 0.063 0.000 1.136 764 S HN 0.712 nan 8.310 nan 0.000 0.484 765 S N -0.142 115.601 115.700 0.072 0.000 2.653 765 S HA 0.317 4.976 4.470 0.315 0.000 0.268 765 S C 0.152 174.778 174.600 0.042 0.000 1.153 765 S CA -0.549 57.688 58.200 0.062 0.000 1.036 765 S CB 0.969 64.195 63.200 0.044 0.000 1.103 765 S HN 0.745 nan 8.310 nan 0.000 0.466 766 E N 2.636 122.863 120.200 0.045 0.000 2.049 766 E HA -0.212 4.327 4.350 0.315 0.000 0.198 766 E C 1.483 178.097 176.600 0.023 0.000 1.007 766 E CA 1.737 58.157 56.400 0.033 0.000 0.809 766 E CB -0.051 29.670 29.700 0.035 0.000 0.749 766 E HN 0.724 nan 8.360 nan 0.000 0.450 767 E N 0.306 120.519 120.200 0.022 0.000 2.268 767 E HA -0.045 4.494 4.350 0.315 0.000 0.195 767 E C 1.546 178.146 176.600 -0.001 0.000 0.995 767 E CA 1.071 57.479 56.400 0.013 0.000 0.836 767 E CB -0.093 29.614 29.700 0.011 0.000 0.763 767 E HN 0.270 nan 8.360 nan 0.000 0.491 768 A N -0.371 122.446 122.820 -0.006 0.000 2.178 768 A HA 0.462 4.971 4.320 0.315 0.000 0.211 768 A C 1.458 179.027 177.584 -0.024 0.000 1.157 768 A CA 0.847 52.870 52.037 -0.023 0.000 0.780 768 A CB -0.653 18.329 19.000 -0.030 0.000 0.828 768 A HN 0.409 nan 8.150 nan 0.000 0.476 769 G N -0.540 108.252 108.800 -0.013 0.000 2.575 769 G HA2 -0.308 3.841 3.960 0.315 0.000 0.267 769 G HA3 -0.308 3.841 3.960 0.315 0.000 0.267 769 G C 1.023 175.918 174.900 -0.008 0.000 1.264 769 G CA 0.337 45.423 45.100 -0.024 0.000 0.935 769 G HN 0.682 nan 8.290 nan 0.000 0.568 770 S N 0.021 115.712 115.700 -0.014 0.000 2.423 770 S HA -0.107 4.552 4.470 0.315 0.000 0.238 770 S C 2.646 177.273 174.600 0.044 0.000 1.028 770 S CA 2.400 60.614 58.200 0.023 0.000 1.000 770 S CB -0.493 62.719 63.200 0.021 0.000 0.797 770 S HN 1.701 nan 8.310 nan 0.000 0.487 771 A N 0.728 123.564 122.820 0.028 0.000 2.123 771 A HA 0.321 4.830 4.320 0.315 0.000 0.214 771 A C 2.091 179.692 177.584 0.028 0.000 1.152 771 A CA 0.951 53.016 52.037 0.048 0.000 0.728 771 A CB -0.637 18.401 19.000 0.063 0.000 0.814 771 A HN 0.499 nan 8.150 nan 0.000 0.464 772 G N -0.221 108.589 108.800 0.017 0.000 2.848 772 G HA2 -0.038 4.112 3.960 0.315 0.000 0.208 772 G HA3 -0.038 4.112 3.960 0.315 0.000 0.208 772 G C 0.235 175.163 174.900 0.046 0.000 1.152 772 G CA -0.178 44.934 45.100 0.019 0.000 0.789 772 G HN 0.392 nan 8.290 nan 0.000 0.531 773 N N 0.840 119.572 118.700 0.054 0.000 2.469 773 N HA 0.396 5.325 4.740 0.315 0.000 0.239 773 N C -0.293 175.253 175.510 0.060 0.000 1.053 773 N CA -0.035 53.055 53.050 0.067 0.000 0.937 773 N CB 1.726 40.254 38.487 0.067 0.000 1.163 773 N HN 0.136 nan 8.380 nan 0.000 0.509 774 V N -1.174 118.785 119.914 0.075 0.000 3.159 774 V HA 1.008 5.317 4.120 0.315 0.000 0.308 774 V C 0.236 176.367 176.094 0.062 0.000 1.190 774 V CA -1.103 61.225 62.300 0.046 0.000 1.037 774 V CB 1.842 33.678 31.823 0.022 0.000 1.060 774 V HN 0.446 nan 8.190 nan 0.000 0.437 775 G N 1.480 110.267 108.800 -0.021 0.000 2.620 775 G HA2 0.802 4.951 3.960 0.315 0.000 0.301 775 G HA3 0.802 4.951 3.960 0.315 0.000 0.301 775 G C -1.102 173.706 174.900 -0.153 0.000 1.347 775 G CA -0.658 44.373 45.100 -0.116 0.000 0.971 775 G HN 1.533 nan 8.290 nan 0.000 0.488 776 I N -1.122 119.367 120.570 -0.134 0.000 2.785 776 I HA 0.754 5.114 4.170 0.315 0.000 0.302 776 I C -1.211 174.815 176.117 -0.151 0.000 1.069 776 I CA -1.519 59.722 61.300 -0.098 0.000 1.045 776 I CB 2.560 40.584 38.000 0.041 0.000 1.236 776 I HN 0.283 nan 8.210 nan 0.000 0.429 777 I N 4.030 124.549 120.570 -0.084 0.000 2.404 777 I HA 0.385 4.744 4.170 0.315 0.000 0.293 777 I C -1.208 174.994 176.117 0.142 0.000 0.992 777 I CA -0.553 60.756 61.300 0.016 0.000 1.149 777 I CB 2.086 40.085 38.000 -0.003 0.000 1.315 777 I HN 0.496 nan 8.210 nan 0.000 0.446 778 F N 7.259 127.245 119.950 0.059 0.000 2.426 778 F HA 0.516 5.233 4.527 0.317 0.000 0.348 778 F C -0.348 175.500 175.800 0.079 0.000 1.124 778 F CA -0.464 57.572 58.000 0.060 0.000 1.008 778 F CB 0.849 39.892 39.000 0.070 0.000 1.139 778 F HN 0.298 nan 8.300 nan 0.000 0.452 779 K N 4.927 125.052 120.400 -0.458 0.000 2.345 779 K HA 0.415 4.924 4.320 0.315 0.000 0.255 779 K C -1.684 174.558 176.600 -0.597 0.000 0.934 779 K CA -0.829 55.252 56.287 -0.343 0.000 0.801 779 K CB 1.301 33.724 32.500 -0.128 0.000 1.137 779 K HN 0.729 nan 8.250 nan 0.000 0.424 780 N N 2.244 120.735 118.700 -0.347 0.000 2.410 780 N HA 0.468 5.397 4.740 0.315 0.000 0.287 780 N C -0.044 175.418 175.510 -0.080 0.000 1.044 780 N CA 0.429 53.336 53.050 -0.239 0.000 0.881 780 N CB 1.915 40.351 38.487 -0.085 0.000 1.405 780 N HN 0.688 nan 8.380 nan 0.000 0.490 781 G N 1.935 110.689 108.800 -0.077 0.000 2.284 781 G HA2 -0.175 3.975 3.960 0.315 0.000 0.201 781 G HA3 -0.175 3.975 3.960 0.315 0.000 0.201 781 G C -0.610 174.268 174.900 -0.036 0.000 0.998 781 G CA -0.235 44.842 45.100 -0.039 0.000 0.651 781 G HN 0.604 nan 8.290 nan 0.000 0.489 782 D N 0.532 120.903 120.400 -0.049 0.000 2.326 782 D HA 0.532 5.361 4.640 0.315 0.000 0.248 782 D C -1.091 175.183 176.300 -0.044 0.000 1.001 782 D CA -0.313 53.666 54.000 -0.034 0.000 0.961 782 D CB 1.676 42.464 40.800 -0.020 0.000 1.183 782 D HN 0.056 nan 8.370 nan 0.000 0.502 783 D N 0.868 121.249 120.400 -0.032 0.000 2.249 783 D HA 0.193 5.022 4.640 0.315 0.000 0.246 783 D C 0.438 176.724 176.300 -0.023 0.000 1.114 783 D CA -0.239 53.743 54.000 -0.030 0.000 0.854 783 D CB 1.001 41.781 40.800 -0.033 0.000 1.132 783 D HN 0.197 nan 8.370 nan 0.000 0.461 784 L N 3.570 124.784 121.223 -0.015 0.000 2.640 784 L HA 0.203 4.733 4.340 0.315 0.000 0.230 784 L C 2.163 179.041 176.870 0.013 0.000 1.123 784 L CA -0.113 54.732 54.840 0.008 0.000 0.900 784 L CB 0.241 42.305 42.059 0.008 0.000 1.146 784 L HN 0.288 nan 8.230 nan 0.000 0.484 785 R N 0.138 120.635 120.500 -0.005 0.000 2.081 785 R HA -0.239 4.290 4.340 0.315 0.000 0.235 785 R C 2.097 178.363 176.300 -0.056 0.000 1.131 785 R CA 1.669 57.759 56.100 -0.016 0.000 0.960 785 R CB -0.225 30.062 30.300 -0.021 0.000 0.856 785 R HN 0.314 nan 8.270 nan 0.000 0.436 786 Q N 0.981 120.720 119.800 -0.101 0.000 2.084 786 Q HA -0.182 4.347 4.340 0.315 0.000 0.202 786 Q C 1.136 177.077 176.000 -0.099 0.000 0.978 786 Q CA 1.901 57.584 55.803 -0.199 0.000 0.844 786 Q CB 0.069 28.614 28.738 -0.322 0.000 0.898 786 Q HN 0.177 nan 8.270 nan 0.000 0.426 787 D N -0.059 120.352 120.400 0.018 0.000 2.117 787 D HA -0.173 4.656 4.640 0.315 0.000 0.198 787 D C 1.765 178.100 176.300 0.057 0.000 0.982 787 D CA 1.376 55.467 54.000 0.153 0.000 0.828 787 D CB -0.186 40.764 40.800 0.251 0.000 0.967 787 D HN 0.380 nan 8.370 nan 0.000 0.464 788 M N -0.163 119.452 119.600 0.026 0.000 2.117 788 M HA -0.158 4.511 4.480 0.315 0.000 0.262 788 M C 1.924 178.188 176.300 -0.061 0.000 1.065 788 M CA 1.149 56.447 55.300 -0.003 0.000 1.114 788 M CB -0.007 32.611 32.600 0.031 0.000 1.361 788 M HN 0.072 nan 8.290 nan 0.000 0.408 789 L N 0.319 121.503 121.223 -0.064 0.000 2.017 789 L HA -0.157 4.372 4.340 0.315 0.000 0.208 789 L C 2.156 178.987 176.870 -0.067 0.000 1.073 789 L CA 2.236 57.028 54.840 -0.080 0.000 0.745 789 L CB -1.090 40.950 42.059 -0.032 0.000 0.894 789 L HN 0.324 nan 8.230 nan 0.000 0.432 790 T N -0.209 114.305 114.554 -0.067 0.000 2.708 790 T HA -0.187 4.353 4.350 0.315 0.000 0.266 790 T C 1.955 176.489 174.700 -0.277 0.000 1.037 790 T CA 1.912 63.908 62.100 -0.174 0.000 1.146 790 T CB -0.365 68.204 68.868 -0.497 0.000 0.865 790 T HN 0.286 nan 8.240 nan 0.000 0.435 791 L N 0.784 121.845 121.223 -0.269 0.000 2.131 791 L HA -0.120 4.409 4.340 0.315 0.000 0.210 791 L C 2.894 179.669 176.870 -0.159 0.000 1.092 791 L CA 1.247 55.961 54.840 -0.210 0.000 0.759 791 L CB -0.512 41.423 42.059 -0.206 0.000 0.903 791 L HN 0.318 nan 8.230 nan 0.000 0.435 792 Q N -1.066 118.644 119.800 -0.149 0.000 2.167 792 Q HA -0.166 4.364 4.340 0.315 0.000 0.202 792 Q C 2.261 178.190 176.000 -0.119 0.000 0.970 792 Q CA 1.053 56.760 55.803 -0.160 0.000 0.855 792 Q CB -0.055 28.565 28.738 -0.196 0.000 0.911 792 Q HN 0.458 nan 8.270 nan 0.000 0.438 793 M N 0.143 119.703 119.600 -0.067 0.000 2.156 793 M HA -0.079 4.590 4.480 0.315 0.000 0.264 793 M C 2.178 178.484 176.300 0.009 0.000 1.067 793 M CA 1.231 56.566 55.300 0.058 0.000 1.131 793 M CB -0.680 32.020 32.600 0.167 0.000 1.368 793 M HN 0.213 nan 8.290 nan 0.000 0.416 794 I N 0.262 120.788 120.570 -0.074 0.000 2.179 794 I HA -0.348 4.011 4.170 0.315 0.000 0.242 794 I C 2.630 178.652 176.117 -0.158 0.000 1.088 794 I CA 1.520 62.748 61.300 -0.120 0.000 1.357 794 I CB -0.457 37.511 38.000 -0.052 0.000 1.051 794 I HN 0.343 nan 8.210 nan 0.000 0.409 795 Q N 1.271 121.000 119.800 -0.119 0.000 2.096 795 Q HA -0.256 4.273 4.340 0.315 0.000 0.204 795 Q C 2.135 178.037 176.000 -0.163 0.000 0.982 795 Q CA 1.874 57.604 55.803 -0.121 0.000 0.850 795 Q CB -0.475 28.197 28.738 -0.109 0.000 0.901 795 Q HN 0.417 nan 8.270 nan 0.000 0.422 796 L N -0.084 121.040 121.223 -0.165 0.000 2.046 796 L HA -0.101 4.428 4.340 0.315 0.000 0.208 796 L C 2.162 178.870 176.870 -0.270 0.000 1.077 796 L CA 1.958 56.678 54.840 -0.200 0.000 0.747 796 L CB -0.494 41.449 42.059 -0.192 0.000 0.896 796 L HN 0.430 nan 8.230 nan 0.000 0.432 797 M N -0.928 118.478 119.600 -0.324 0.000 2.080 797 M HA -0.237 4.432 4.480 0.315 0.000 0.260 797 M C 2.031 177.680 176.300 -1.085 0.000 1.068 797 M CA 2.184 56.996 55.300 -0.814 0.000 1.109 797 M CB -0.671 31.232 32.600 -1.161 0.000 1.342 797 M HN 0.281 nan 8.290 nan 0.000 0.405 798 D N 0.122 120.152 120.400 -0.618 0.000 2.133 798 D HA -0.158 4.671 4.640 0.315 0.000 0.195 798 D C 1.711 177.971 176.300 -0.067 0.000 0.997 798 D CA 1.405 55.335 54.000 -0.116 0.000 0.840 798 D CB 0.090 40.880 40.800 -0.016 0.000 0.947 798 D HN 0.096 nan 8.370 nan 0.000 0.452 799 V N 0.244 120.065 119.914 -0.155 0.000 2.295 799 V HA -0.223 4.087 4.120 0.315 0.000 0.246 799 V C 2.594 178.607 176.094 -0.134 0.000 1.049 799 V CA 1.418 63.642 62.300 -0.126 0.000 1.024 799 V CB -0.523 31.206 31.823 -0.158 0.000 0.648 799 V HN 0.311 nan 8.190 nan 0.000 0.447 800 L N -1.667 119.410 121.223 -0.243 0.000 2.056 800 L HA -0.149 4.380 4.340 0.315 0.000 0.207 800 L C 2.624 179.498 176.870 0.005 0.000 1.078 800 L CA 1.566 56.260 54.840 -0.243 0.000 0.749 800 L CB -0.680 41.142 42.059 -0.394 0.000 0.901 800 L HN 0.378 nan 8.230 nan 0.000 0.433 801 W N 1.156 122.444 121.300 -0.020 0.000 2.333 801 W HA -0.177 4.672 4.660 0.315 0.000 0.316 801 W C 2.547 179.055 176.519 -0.019 0.000 1.215 801 W CA 0.984 58.324 57.345 -0.010 0.000 1.278 801 W CB -0.940 28.509 29.460 -0.019 0.000 1.154 801 W HN 0.142 nan 8.180 nan 0.000 0.486 802 K N 0.114 120.639 120.400 0.207 0.000 2.211 802 K HA -0.165 4.345 4.320 0.315 0.000 0.203 802 K C 1.929 178.564 176.600 0.058 0.000 1.050 802 K CA 1.196 57.546 56.287 0.104 0.000 0.945 802 K CB -0.385 32.153 32.500 0.063 0.000 0.732 802 K HN 0.260 nan 8.250 nan 0.000 0.451 803 Q N 0.513 120.337 119.800 0.040 0.000 2.291 803 Q HA -0.113 4.416 4.340 0.315 0.000 0.206 803 Q C 0.602 176.634 176.000 0.054 0.000 0.976 803 Q CA 0.870 56.686 55.803 0.021 0.000 0.875 803 Q CB 0.260 28.993 28.738 -0.009 0.000 0.927 803 Q HN 0.281 nan 8.270 nan 0.000 0.450 804 E N -0.709 119.545 120.200 0.091 0.000 2.437 804 E HA 0.139 4.678 4.350 0.315 0.000 0.195 804 E C 0.508 177.150 176.600 0.070 0.000 1.029 804 E CA 0.282 56.736 56.400 0.090 0.000 0.948 804 E CB 0.913 30.687 29.700 0.123 0.000 1.082 804 E HN 0.413 nan 8.360 nan 0.000 0.456 805 G N 1.869 110.704 108.800 0.059 0.000 2.160 805 G HA2 -0.283 3.866 3.960 0.315 0.000 0.251 805 G HA3 -0.283 3.866 3.960 0.315 0.000 0.251 805 G C -0.082 174.841 174.900 0.038 0.000 1.008 805 G CA 0.357 45.483 45.100 0.044 0.000 0.724 805 G HN 0.270 nan 8.290 nan 0.000 0.514 806 L N 1.277 122.530 121.223 0.050 0.000 2.324 806 L HA 0.649 5.179 4.340 0.315 0.000 0.274 806 L C -0.562 176.317 176.870 0.016 0.000 1.012 806 L CA -1.274 53.565 54.840 -0.002 0.000 0.859 806 L CB 1.453 43.486 42.059 -0.042 0.000 1.224 806 L HN 0.125 nan 8.230 nan 0.000 0.429 807 D N 4.517 124.906 120.400 -0.018 0.000 2.396 807 D HA 0.194 5.024 4.640 0.315 0.000 0.225 807 D C 0.455 176.698 176.300 -0.095 0.000 1.121 807 D CA -0.046 53.950 54.000 -0.006 0.000 0.853 807 D CB 0.898 41.707 40.800 0.015 0.000 1.043 807 D HN 0.591 nan 8.370 nan 0.000 0.500 808 L N 3.982 125.154 121.223 -0.086 0.000 2.653 808 L HA 0.206 4.735 4.340 0.315 0.000 0.232 808 L C 0.543 177.391 176.870 -0.037 0.000 1.169 808 L CA -0.355 54.390 54.840 -0.159 0.000 0.951 808 L CB -0.153 41.718 42.059 -0.313 0.000 1.181 808 L HN 0.280 nan 8.230 nan 0.000 0.460 809 R N -0.281 120.210 120.500 -0.014 0.000 3.267 809 R HA -0.141 4.388 4.340 0.315 0.000 0.254 809 R C -0.157 176.206 176.300 0.105 0.000 0.993 809 R CA 0.657 56.757 56.100 -0.001 0.000 0.670 809 R CB -1.961 28.323 30.300 -0.027 0.000 1.125 809 R HN 0.300 nan 8.270 nan 0.000 0.434 810 M N -0.155 119.524 119.600 0.131 0.000 2.198 810 M HA 0.144 4.813 4.480 0.315 0.000 0.315 810 M C 0.950 177.382 176.300 0.219 0.000 1.134 810 M CA 0.532 55.964 55.300 0.220 0.000 1.171 810 M CB 0.328 33.012 32.600 0.140 0.000 1.413 810 M HN -0.001 nan 8.290 nan 0.000 0.467 811 T N 2.908 117.657 114.554 0.324 0.000 3.331 811 T HA 0.328 4.867 4.350 0.315 0.000 0.381 811 T C -2.304 172.483 174.700 0.146 0.000 1.656 811 T CA -0.983 61.176 62.100 0.099 0.000 1.453 811 T CB 0.039 68.738 68.868 -0.282 0.000 1.066 811 T HN 0.382 nan 8.240 nan 0.000 0.655 812 P HA 0.162 nan 4.420 nan 0.000 0.244 812 P C -0.540 176.762 177.300 0.005 0.000 1.769 812 P CA -0.504 62.611 63.100 0.024 0.000 1.102 812 P CB -0.787 30.921 31.700 0.014 0.000 1.937 813 Y N -0.032 120.288 120.300 0.032 0.000 2.301 813 Y HA 0.627 5.367 4.550 0.316 0.000 0.328 813 Y C 0.875 176.818 175.900 0.072 0.000 1.242 813 Y CA -1.425 56.688 58.100 0.021 0.000 1.323 813 Y CB 0.074 38.519 38.460 -0.025 0.000 1.266 813 Y HN 0.251 nan 8.280 nan 0.000 0.527 814 G N 0.685 109.623 108.800 0.231 0.000 2.432 814 G HA2 0.314 4.463 3.960 0.315 0.000 0.239 814 G HA3 0.314 4.463 3.960 0.315 0.000 0.239 814 G C -1.191 173.839 174.900 0.217 0.000 1.291 814 G CA -0.176 45.031 45.100 0.179 0.000 0.863 814 G HN 1.081 nan 8.290 nan 0.000 0.560 815 C N 3.482 122.868 119.300 0.142 0.000 2.752 815 C HA 0.692 5.341 4.460 0.315 0.000 0.360 815 C C -1.187 173.874 174.990 0.118 0.000 1.081 815 C CA -0.890 58.215 59.018 0.146 0.000 1.272 815 C CB 0.546 28.367 27.740 0.136 0.000 1.754 815 C HN 0.891 nan 8.230 nan 0.000 0.483 816 L N 8.441 129.721 121.223 0.094 0.000 2.620 816 L HA 0.603 5.132 4.340 0.315 0.000 0.261 816 L C -2.625 174.255 176.870 0.017 0.000 0.978 816 L CA -1.015 53.875 54.840 0.084 0.000 0.897 816 L CB 1.933 44.042 42.059 0.083 0.000 1.207 816 L HN 0.494 nan 8.230 nan 0.000 0.425 817 P HA 0.353 nan 4.420 nan 0.000 0.268 817 P C 0.067 177.388 177.300 0.033 0.000 1.205 817 P CA -0.032 63.089 63.100 0.035 0.000 0.771 817 P CB 0.788 32.538 31.700 0.084 0.000 0.858 818 T N -0.908 113.645 114.554 -0.002 0.000 2.969 818 T HA 0.506 5.045 4.350 0.315 0.000 0.258 818 T C 0.663 175.480 174.700 0.195 0.000 0.962 818 T CA 0.218 62.331 62.100 0.021 0.000 0.903 818 T CB 0.101 68.815 68.868 -0.256 0.000 1.177 818 T HN 0.525 nan 8.240 nan 0.000 0.511 819 G N 0.590 109.456 108.800 0.110 0.000 2.570 819 G HA2 0.429 4.578 3.960 0.315 0.000 0.310 819 G HA3 0.429 4.578 3.960 0.315 0.000 0.310 819 G C -2.069 172.785 174.900 -0.077 0.000 1.266 819 G CA -0.613 44.543 45.100 0.095 0.000 0.825 819 G HN 0.040 nan 8.290 nan 0.000 0.483 820 D N 0.435 120.656 120.400 -0.299 0.000 2.342 820 D HA 0.211 5.040 4.640 0.315 0.000 0.260 820 D C 1.038 177.148 176.300 -0.317 0.000 1.278 820 D CA 0.107 53.665 54.000 -0.737 0.000 0.910 820 D CB 0.003 40.349 40.800 -0.757 0.000 1.079 820 D HN 0.519 nan 8.370 nan 0.000 0.496 821 R N 2.002 122.368 120.500 -0.223 0.000 3.405 821 R HA -0.168 4.362 4.340 0.315 0.000 0.258 821 R C -0.562 175.649 176.300 -0.149 0.000 1.030 821 R CA 1.027 57.050 56.100 -0.128 0.000 0.691 821 R CB -1.698 28.542 30.300 -0.100 0.000 1.093 821 R HN 0.417 nan 8.270 nan 0.000 0.448 822 T N -1.203 113.258 114.554 -0.155 0.000 2.916 822 T HA 0.744 5.284 4.350 0.315 0.000 0.298 822 T C 0.136 174.719 174.700 -0.195 0.000 1.031 822 T CA -0.130 61.829 62.100 -0.235 0.000 0.993 822 T CB 2.285 71.071 68.868 -0.136 0.000 1.045 822 T HN 0.436 nan 8.240 nan 0.000 0.454 823 G N 1.217 109.839 108.800 -0.298 0.000 2.428 823 G HA2 0.596 4.745 3.960 0.315 0.000 0.304 823 G HA3 0.596 4.745 3.960 0.315 0.000 0.304 823 G C -2.398 172.400 174.900 -0.169 0.000 1.303 823 G CA -0.783 44.211 45.100 -0.177 0.000 0.825 823 G HN 0.715 nan 8.290 nan 0.000 0.484 824 L N -0.075 121.109 121.223 -0.065 0.000 2.370 824 L HA 0.701 5.230 4.340 0.315 0.000 0.266 824 L C -0.754 176.143 176.870 0.045 0.000 1.002 824 L CA -0.885 53.956 54.840 0.002 0.000 0.818 824 L CB 2.353 44.415 42.059 0.005 0.000 1.325 824 L HN 0.386 nan 8.230 nan 0.000 0.418 825 I N 1.255 121.863 120.570 0.063 0.000 2.465 825 I HA 0.256 4.615 4.170 0.315 0.000 0.291 825 I C -0.072 176.081 176.117 0.060 0.000 1.014 825 I CA -0.501 60.868 61.300 0.115 0.000 1.093 825 I CB 2.291 40.362 38.000 0.118 0.000 1.267 825 I HN 0.622 nan 8.210 nan 0.000 0.431 826 E N 5.219 125.494 120.200 0.124 0.000 2.360 826 E HA 0.229 4.769 4.350 0.315 0.000 0.269 826 E C -1.163 175.382 176.600 -0.092 0.000 1.022 826 E CA -0.481 55.946 56.400 0.044 0.000 0.887 826 E CB 1.213 30.995 29.700 0.137 0.000 0.990 826 E HN 0.345 nan 8.360 nan 0.000 0.426 827 V N 5.404 125.206 119.914 -0.187 0.000 2.432 827 V HA 0.072 4.381 4.120 0.315 0.000 0.271 827 V C -0.071 175.941 176.094 -0.137 0.000 1.046 827 V CA -0.545 61.586 62.300 -0.281 0.000 0.945 827 V CB 1.243 32.753 31.823 -0.522 0.000 0.992 827 V HN 0.488 nan 8.190 nan 0.000 0.471 828 V N 7.495 127.349 119.914 -0.100 0.000 2.389 828 V HA 0.278 4.588 4.120 0.315 0.000 0.264 828 V C 0.355 176.486 176.094 0.060 0.000 1.049 828 V CA -0.269 62.016 62.300 -0.026 0.000 0.932 828 V CB 0.781 32.546 31.823 -0.097 0.000 1.011 828 V HN 0.606 nan 8.190 nan 0.000 0.475 829 L N 4.892 126.128 121.223 0.021 0.000 2.453 829 L HA 0.405 4.934 4.340 0.315 0.000 0.261 829 L C 0.887 177.762 176.870 0.008 0.000 1.179 829 L CA -0.380 54.408 54.840 -0.088 0.000 0.813 829 L CB -0.036 41.841 42.059 -0.302 0.000 1.110 829 L HN 0.828 nan 8.230 nan 0.000 0.466 830 H N -1.237 117.949 119.070 0.194 0.000 2.886 830 H HA -0.132 4.614 4.556 0.316 0.000 0.294 830 H C -0.369 175.124 175.328 0.276 0.000 1.246 830 H CA 0.460 56.629 56.048 0.202 0.000 1.142 830 H CB -1.411 28.441 29.762 0.151 0.000 1.358 830 H HN 0.643 nan 8.280 nan 0.000 0.406 831 S N -0.917 114.985 115.700 0.337 0.000 2.627 831 S HA 0.745 5.404 4.470 0.315 0.000 0.283 831 S C -1.100 173.621 174.600 0.202 0.000 1.127 831 S CA -0.934 57.461 58.200 0.326 0.000 0.863 831 S CB 3.970 67.396 63.200 0.376 0.000 1.121 831 S HN 0.209 nan 8.310 nan 0.000 0.479 832 D N 0.479 120.905 120.400 0.043 0.000 2.654 832 D HA 0.508 5.337 4.640 0.315 0.000 0.231 832 D C -0.524 175.632 176.300 -0.240 0.000 1.239 832 D CA -0.092 53.855 54.000 -0.088 0.000 0.790 832 D CB 2.275 43.016 40.800 -0.098 0.000 1.480 832 D HN 0.834 nan 8.370 nan 0.000 0.442 833 T N 0.266 114.693 114.554 -0.212 0.000 2.856 833 T HA 0.153 4.692 4.350 0.315 0.000 0.306 833 T C 1.983 176.529 174.700 -0.256 0.000 1.062 833 T CA -0.622 61.337 62.100 -0.235 0.000 1.083 833 T CB 0.440 69.213 68.868 -0.159 0.000 0.984 833 T HN 0.296 nan 8.240 nan 0.000 0.542 834 I N 1.693 122.137 120.570 -0.209 0.000 2.163 834 I HA -0.184 4.175 4.170 0.315 0.000 0.243 834 I C 3.006 179.058 176.117 -0.108 0.000 1.085 834 I CA 1.916 63.135 61.300 -0.135 0.000 1.347 834 I CB -2.302 35.711 38.000 0.021 0.000 1.044 834 I HN 0.910 nan 8.210 nan 0.000 0.408 835 A N 1.222 123.995 122.820 -0.079 0.000 1.873 835 A HA -0.262 4.247 4.320 0.315 0.000 0.218 835 A C 2.212 179.744 177.584 -0.087 0.000 1.193 835 A CA 2.198 54.198 52.037 -0.062 0.000 0.629 835 A CB -0.858 18.113 19.000 -0.049 0.000 0.826 835 A HN 0.442 nan 8.150 nan 0.000 0.447 836 N N -0.042 118.588 118.700 -0.116 0.000 2.084 836 N HA -0.105 4.824 4.740 0.315 0.000 0.190 836 N C 1.701 177.131 175.510 -0.132 0.000 1.030 836 N CA 1.682 54.664 53.050 -0.114 0.000 0.849 836 N CB -0.402 38.013 38.487 -0.120 0.000 1.012 836 N HN 0.588 nan 8.380 nan 0.000 0.423 837 I N 1.034 121.466 120.570 -0.229 0.000 2.361 837 I HA -0.212 4.147 4.170 0.315 0.000 0.251 837 I C 1.632 177.671 176.117 -0.130 0.000 1.133 837 I CA 0.986 62.112 61.300 -0.290 0.000 1.413 837 I CB -0.165 37.452 38.000 -0.639 0.000 1.073 837 I HN 0.122 nan 8.210 nan 0.000 0.424 838 Q N 0.305 120.050 119.800 -0.092 0.000 2.403 838 Q HA 0.093 4.622 4.340 0.315 0.000 0.203 838 Q C 2.102 178.088 176.000 -0.023 0.000 0.932 838 Q CA 0.092 55.874 55.803 -0.034 0.000 0.945 838 Q CB 0.337 29.068 28.738 -0.012 0.000 1.045 838 Q HN 0.561 nan 8.270 nan 0.000 0.511 839 L N 0.589 121.792 121.223 -0.034 0.000 2.349 839 L HA -0.157 4.372 4.340 0.315 0.000 0.220 839 L C 0.580 177.443 176.870 -0.011 0.000 1.130 839 L CA 0.325 55.151 54.840 -0.025 0.000 0.791 839 L CB -0.289 41.751 42.059 -0.031 0.000 0.918 839 L HN 0.393 nan 8.230 nan 0.000 0.444 840 N N 0.853 119.552 118.700 -0.002 0.000 2.727 840 N HA -0.148 4.781 4.740 0.315 0.000 0.249 840 N C -0.231 175.282 175.510 0.005 0.000 1.048 840 N CA 0.570 53.625 53.050 0.008 0.000 0.714 840 N CB -0.543 37.946 38.487 0.004 0.000 0.959 840 N HN 0.315 nan 8.380 nan 0.000 0.544 841 K N -0.331 120.075 120.400 0.009 0.000 2.484 841 K HA 0.110 4.619 4.320 0.315 0.000 0.280 841 K C 0.575 177.182 176.600 0.010 0.000 1.013 841 K CA 0.026 56.317 56.287 0.008 0.000 1.029 841 K CB 0.034 32.542 32.500 0.013 0.000 0.902 841 K HN 0.367 nan 8.250 nan 0.000 0.481 842 S N 1.577 117.278 115.700 0.001 0.000 2.608 842 S HA 0.059 4.718 4.470 0.315 0.000 0.261 842 S C 0.383 174.986 174.600 0.005 0.000 1.314 842 S CA -0.159 58.040 58.200 -0.001 0.000 0.992 842 S CB 0.095 63.290 63.200 -0.008 0.000 0.935 842 S HN 0.819 nan 8.310 nan 0.000 0.564 843 N N -0.751 117.951 118.700 0.004 0.000 2.780 843 N HA -0.125 4.804 4.740 0.315 0.000 0.248 843 N C -1.129 174.389 175.510 0.013 0.000 1.102 843 N CA 0.973 54.026 53.050 0.005 0.000 0.697 843 N CB -1.150 37.338 38.487 0.002 0.000 1.028 843 N HN 0.632 nan 8.380 nan 0.000 0.554 844 M N -1.600 118.011 119.600 0.019 0.000 2.465 844 M HA 0.436 5.105 4.480 0.315 0.000 0.284 844 M C 1.125 177.445 176.300 0.032 0.000 1.212 844 M CA -0.202 55.118 55.300 0.033 0.000 0.910 844 M CB 1.185 33.816 32.600 0.052 0.000 1.725 844 M HN -0.071 nan 8.290 nan 0.000 0.477 845 A N 1.582 124.420 122.820 0.030 0.000 1.884 845 A HA -0.054 4.455 4.320 0.315 0.000 0.219 845 A C 1.520 179.125 177.584 0.035 0.000 1.197 845 A CA 2.618 54.665 52.037 0.017 0.000 0.637 845 A CB -0.713 18.280 19.000 -0.012 0.000 0.827 845 A HN 0.949 nan 8.150 nan 0.000 0.450 846 A N -0.365 122.500 122.820 0.075 0.000 2.324 846 A HA 0.370 4.879 4.320 0.315 0.000 0.240 846 A C 0.690 178.319 177.584 0.075 0.000 1.347 846 A CA 0.342 52.442 52.037 0.104 0.000 1.036 846 A CB -1.129 18.002 19.000 0.218 0.000 0.917 846 A HN 0.269 nan 8.150 nan 0.000 0.519 847 T N 2.256 116.836 114.554 0.043 0.000 2.750 847 T HA 0.401 4.941 4.350 0.315 0.000 0.286 847 T C 0.564 175.268 174.700 0.008 0.000 0.911 847 T CA 0.611 62.723 62.100 0.020 0.000 1.130 847 T CB 0.179 69.050 68.868 0.006 0.000 0.873 847 T HN 0.534 nan 8.240 nan 0.000 0.536 848 A N 2.934 125.755 122.820 0.002 0.000 2.304 848 A HA 0.740 5.250 4.320 0.315 0.000 0.301 848 A C 1.341 178.866 177.584 -0.098 0.000 1.132 848 A CA -0.358 51.673 52.037 -0.010 0.000 0.819 848 A CB 0.552 19.567 19.000 0.025 0.000 1.094 848 A HN 0.882 nan 8.150 nan 0.000 0.492 849 A N 1.217 123.934 122.820 -0.171 0.000 1.984 849 A HA 0.492 5.001 4.320 0.315 0.000 0.214 849 A C 0.094 177.171 177.584 -0.845 0.000 1.173 849 A CA 0.748 52.485 52.037 -0.499 0.000 0.673 849 A CB -0.092 18.574 19.000 -0.556 0.000 0.830 849 A HN 0.676 nan 8.150 nan 0.000 0.453 850 F N -1.510 118.432 119.950 -0.013 0.000 2.547 850 F HA 0.377 5.094 4.527 0.315 0.000 0.316 850 F C 0.738 176.521 175.800 -0.029 0.000 1.121 850 F CA -0.993 56.989 58.000 -0.029 0.000 0.911 850 F CB 1.400 40.370 39.000 -0.050 0.000 1.179 850 F HN 0.064 nan 8.300 nan 0.000 0.443 851 N N 2.170 120.947 118.700 0.128 0.000 2.258 851 N HA -0.245 4.684 4.740 0.315 0.000 0.187 851 N C 1.915 177.459 175.510 0.058 0.000 1.012 851 N CA 1.787 54.882 53.050 0.075 0.000 0.870 851 N CB 0.036 38.561 38.487 0.062 0.000 0.977 851 N HN 0.705 nan 8.380 nan 0.000 0.434 852 K N -0.503 119.916 120.400 0.031 0.000 2.281 852 K HA -0.145 4.364 4.320 0.315 0.000 0.203 852 K C 0.507 177.026 176.600 -0.135 0.000 1.046 852 K CA 1.611 57.819 56.287 -0.132 0.000 0.938 852 K CB 0.105 32.406 32.500 -0.332 0.000 0.737 852 K HN 0.230 nan 8.250 nan 0.000 0.458 853 D N 0.527 120.944 120.400 0.028 0.000 2.350 853 D HA 0.103 4.932 4.640 0.315 0.000 0.213 853 D C 1.737 178.103 176.300 0.109 0.000 1.031 853 D CA 0.633 54.704 54.000 0.119 0.000 0.861 853 D CB 0.457 41.358 40.800 0.168 0.000 0.926 853 D HN 0.392 nan 8.370 nan 0.000 0.520 854 A N 1.213 124.084 122.820 0.085 0.000 1.892 854 A HA -0.164 4.345 4.320 0.315 0.000 0.218 854 A C 2.222 179.879 177.584 0.122 0.000 1.188 854 A CA 0.911 53.001 52.037 0.089 0.000 0.631 854 A CB -0.712 18.322 19.000 0.056 0.000 0.822 854 A HN 0.229 nan 8.150 nan 0.000 0.447 855 L N -1.428 119.851 121.223 0.094 0.000 2.056 855 L HA -0.121 4.408 4.340 0.315 0.000 0.207 855 L C 2.545 179.495 176.870 0.133 0.000 1.078 855 L CA 1.262 56.154 54.840 0.087 0.000 0.749 855 L CB -0.263 41.820 42.059 0.041 0.000 0.901 855 L HN 0.466 nan 8.230 nan 0.000 0.433 856 L N 0.269 121.543 121.223 0.085 0.000 2.046 856 L HA -0.209 4.321 4.340 0.315 0.000 0.208 856 L C 2.119 179.043 176.870 0.091 0.000 1.077 856 L CA 1.701 56.573 54.840 0.053 0.000 0.747 856 L CB -0.770 41.314 42.059 0.042 0.000 0.896 856 L HN 0.246 nan 8.230 nan 0.000 0.432 857 N N -1.284 117.485 118.700 0.116 0.000 2.149 857 N HA -0.265 4.664 4.740 0.315 0.000 0.188 857 N C 1.450 177.041 175.510 0.134 0.000 1.019 857 N CA 1.624 54.736 53.050 0.104 0.000 0.857 857 N CB -0.642 37.907 38.487 0.104 0.000 0.997 857 N HN 0.605 nan 8.380 nan 0.000 0.426 858 W N 1.276 122.576 121.300 -0.001 0.000 2.381 858 W HA 0.077 4.926 4.660 0.314 0.000 0.301 858 W C 1.791 178.311 176.519 0.003 0.000 1.205 858 W CA 0.761 58.109 57.345 0.005 0.000 1.285 858 W CB -0.334 29.131 29.460 0.010 0.000 1.133 858 W HN -0.032 nan 8.180 nan 0.000 0.521 859 L N 0.773 122.135 121.223 0.231 0.000 2.083 859 L HA -0.233 4.296 4.340 0.315 0.000 0.209 859 L C 2.452 179.274 176.870 -0.079 0.000 1.083 859 L CA 1.588 56.459 54.840 0.051 0.000 0.752 859 L CB -0.745 41.377 42.059 0.105 0.000 0.899 859 L HN -0.047 nan 8.230 nan 0.000 0.433 860 K N -0.281 120.095 120.400 -0.040 0.000 2.097 860 K HA -0.140 4.369 4.320 0.315 0.000 0.206 860 K C 2.282 178.825 176.600 -0.094 0.000 1.049 860 K CA 1.700 57.956 56.287 -0.051 0.000 0.933 860 K CB -0.104 32.387 32.500 -0.016 0.000 0.717 860 K HN 0.388 nan 8.250 nan 0.000 0.442 861 S N 0.670 116.283 115.700 -0.145 0.000 2.436 861 S HA 0.013 4.672 4.470 0.315 0.000 0.228 861 S C 1.587 176.048 174.600 -0.232 0.000 1.014 861 S CA 0.520 58.620 58.200 -0.166 0.000 0.950 861 S CB 0.079 63.174 63.200 -0.174 0.000 0.784 861 S HN 0.072 nan 8.310 nan 0.000 0.504 862 K N 1.988 122.175 120.400 -0.355 0.000 2.418 862 K HA 0.226 4.735 4.320 0.315 0.000 0.195 862 K C 0.029 176.512 176.600 -0.194 0.000 1.035 862 K CA 0.295 56.374 56.287 -0.346 0.000 1.003 862 K CB -0.228 31.932 32.500 -0.568 0.000 0.793 862 K HN 0.450 nan 8.250 nan 0.000 0.494 863 N N 1.375 119.989 118.700 -0.143 0.000 2.711 863 N HA 0.199 5.128 4.740 0.315 0.000 0.263 863 N C -2.882 172.596 175.510 -0.053 0.000 1.667 863 N CA -1.036 51.967 53.050 -0.078 0.000 0.785 863 N CB 1.810 40.267 38.487 -0.050 0.000 1.231 863 N HN -0.071 nan 8.380 nan 0.000 0.503 864 P HA 0.069 nan 4.420 nan 0.000 0.267 864 P C 1.142 178.430 177.300 -0.020 0.000 1.200 864 P CA 0.652 63.730 63.100 -0.036 0.000 0.772 864 P CB 0.665 32.344 31.700 -0.035 0.000 0.855 865 G N 2.619 111.411 108.800 -0.014 0.000 2.627 865 G HA2 -0.392 3.757 3.960 0.315 0.000 0.312 865 G HA3 -0.392 3.757 3.960 0.315 0.000 0.312 865 G C 1.043 175.943 174.900 -0.001 0.000 1.299 865 G CA 0.761 45.857 45.100 -0.006 0.000 0.989 865 G HN 0.539 nan 8.290 nan 0.000 0.547 866 E N 0.459 120.661 120.200 0.003 0.000 2.253 866 E HA -0.115 4.424 4.350 0.315 0.000 0.202 866 E C 2.846 179.454 176.600 0.013 0.000 1.014 866 E CA 1.461 57.867 56.400 0.010 0.000 0.823 866 E CB -0.330 29.377 29.700 0.012 0.000 0.736 866 E HN 0.763 nan 8.360 nan 0.000 0.478 867 A N 0.725 123.550 122.820 0.007 0.000 2.067 867 A HA -0.124 4.386 4.320 0.315 0.000 0.219 867 A C 2.041 179.635 177.584 0.017 0.000 1.158 867 A CA 0.672 52.716 52.037 0.012 0.000 0.661 867 A CB -0.309 18.690 19.000 -0.001 0.000 0.801 867 A HN 0.229 nan 8.150 nan 0.000 0.452 868 L N 0.351 121.580 121.223 0.010 0.000 2.012 868 L HA -0.178 4.351 4.340 0.315 0.000 0.210 868 L C 1.627 178.514 176.870 0.028 0.000 1.073 868 L CA 2.580 57.426 54.840 0.011 0.000 0.748 868 L CB -0.835 41.224 42.059 0.001 0.000 0.891 868 L HN 0.333 nan 8.230 nan 0.000 0.431 869 D N -0.590 119.829 120.400 0.031 0.000 2.133 869 D HA -0.251 4.578 4.640 0.315 0.000 0.192 869 D C 2.330 178.669 176.300 0.066 0.000 1.001 869 D CA 1.534 55.562 54.000 0.046 0.000 0.844 869 D CB -0.124 40.702 40.800 0.043 0.000 0.944 869 D HN 0.195 nan 8.370 nan 0.000 0.447 870 R N 0.639 121.178 120.500 0.066 0.000 2.115 870 R HA 0.112 4.641 4.340 0.315 0.000 0.226 870 R C 1.845 178.204 176.300 0.099 0.000 1.100 870 R CA 1.462 57.612 56.100 0.083 0.000 0.980 870 R CB -0.645 29.702 30.300 0.078 0.000 0.875 870 R HN 0.095 nan 8.270 nan 0.000 0.445 871 A N 0.475 123.348 122.820 0.088 0.000 1.902 871 A HA -0.088 4.421 4.320 0.315 0.000 0.217 871 A C 2.264 179.941 177.584 0.156 0.000 1.181 871 A CA 1.579 53.684 52.037 0.113 0.000 0.623 871 A CB -0.566 18.482 19.000 0.080 0.000 0.818 871 A HN 0.357 nan 8.150 nan 0.000 0.443 872 I N -0.776 119.864 120.570 0.117 0.000 2.179 872 I HA -0.238 4.121 4.170 0.315 0.000 0.242 872 I C 2.568 178.813 176.117 0.213 0.000 1.088 872 I CA 1.757 63.135 61.300 0.131 0.000 1.357 872 I CB -0.237 37.798 38.000 0.058 0.000 1.051 872 I HN 0.409 nan 8.210 nan 0.000 0.409 873 E N 1.256 121.559 120.200 0.172 0.000 2.058 873 E HA -0.257 4.282 4.350 0.315 0.000 0.194 873 E C 2.036 178.745 176.600 0.181 0.000 0.997 873 E CA 1.606 58.117 56.400 0.186 0.000 0.801 873 E CB -0.083 29.704 29.700 0.145 0.000 0.746 873 E HN 0.340 nan 8.360 nan 0.000 0.450 874 E N -0.518 119.781 120.200 0.165 0.000 2.110 874 E HA -0.185 4.354 4.350 0.315 0.000 0.193 874 E C 2.044 178.760 176.600 0.194 0.000 0.988 874 E CA 1.005 57.490 56.400 0.141 0.000 0.804 874 E CB -0.440 29.343 29.700 0.139 0.000 0.745 874 E HN 0.392 nan 8.360 nan 0.000 0.458 875 F N 2.048 122.058 119.950 0.099 0.000 2.134 875 F HA -0.193 4.523 4.527 0.315 0.000 0.299 875 F C 2.359 178.228 175.800 0.116 0.000 1.097 875 F CA 1.710 59.765 58.000 0.092 0.000 1.264 875 F CB -0.238 38.801 39.000 0.065 0.000 1.001 875 F HN -0.100 nan 8.300 nan 0.000 0.479 876 T N 1.718 116.483 114.554 0.352 0.000 2.674 876 T HA -0.177 4.362 4.350 0.315 0.000 0.265 876 T C 2.093 176.986 174.700 0.323 0.000 1.039 876 T CA 1.847 64.157 62.100 0.349 0.000 1.150 876 T CB -0.623 68.499 68.868 0.423 0.000 0.864 876 T HN 0.228 nan 8.240 nan 0.000 0.427 877 L N 1.556 122.865 121.223 0.144 0.000 1.989 877 L HA -0.169 4.360 4.340 0.315 0.000 0.211 877 L C 2.980 179.846 176.870 -0.007 0.000 1.071 877 L CA 1.744 56.537 54.840 -0.079 0.000 0.749 877 L CB -0.877 41.060 42.059 -0.203 0.000 0.890 877 L HN 0.384 nan 8.230 nan 0.000 0.431 878 S N -1.425 114.302 115.700 0.045 0.000 2.371 878 S HA -0.235 4.425 4.470 0.315 0.000 0.224 878 S C 2.205 176.928 174.600 0.205 0.000 1.029 878 S CA 0.898 59.181 58.200 0.137 0.000 0.978 878 S CB -1.244 62.086 63.200 0.217 0.000 0.833 878 S HN 0.522 nan 8.310 nan 0.000 0.466 879 C N 2.425 121.744 119.300 0.031 0.000 2.401 879 C HA -0.041 4.608 4.460 0.315 0.000 0.276 879 C C 3.127 178.348 174.990 0.385 0.000 1.233 879 C CA 1.131 60.195 59.018 0.078 0.000 1.753 879 C CB -1.804 25.804 27.740 -0.219 0.000 2.029 879 C HN 0.690 nan 8.230 nan 0.000 0.478 880 A N 0.415 123.505 122.820 0.449 0.000 1.865 880 A HA 0.055 4.564 4.320 0.315 0.000 0.217 880 A C 2.536 180.174 177.584 0.091 0.000 1.191 880 A CA 2.373 54.565 52.037 0.258 0.000 0.623 880 A CB -1.690 17.342 19.000 0.053 0.000 0.826 880 A HN 0.732 nan 8.150 nan 0.000 0.444 881 G N -1.472 107.283 108.800 -0.076 0.000 2.529 881 G HA2 -0.308 3.842 3.960 0.315 0.000 0.219 881 G HA3 -0.308 3.842 3.960 0.315 0.000 0.219 881 G C 1.483 176.412 174.900 0.049 0.000 1.177 881 G CA 1.499 46.489 45.100 -0.183 0.000 0.773 881 G HN 0.556 nan 8.290 nan 0.000 0.573 882 Y N 0.057 120.487 120.300 0.217 0.000 2.220 882 Y HA -0.046 4.693 4.550 0.316 0.000 0.291 882 Y C 3.194 179.162 175.900 0.112 0.000 1.129 882 Y CA 0.679 58.875 58.100 0.160 0.000 1.161 882 Y CB -0.694 37.873 38.460 0.178 0.000 0.997 882 Y HN 0.231 nan 8.280 nan 0.000 0.522 883 C N -1.014 118.453 119.300 0.278 0.000 2.413 883 C HA -0.143 4.506 4.460 0.315 0.000 0.277 883 C C 2.749 177.865 174.990 0.209 0.000 1.265 883 C CA 0.984 60.061 59.018 0.098 0.000 1.752 883 C CB -1.132 26.665 27.740 0.095 0.000 1.998 883 C HN 0.353 nan 8.230 nan 0.000 0.489 884 V N 1.110 121.271 119.914 0.412 0.000 2.323 884 V HA -0.126 4.183 4.120 0.315 0.000 0.244 884 V C 2.706 179.094 176.094 0.489 0.000 1.041 884 V CA 2.051 64.706 62.300 0.592 0.000 1.025 884 V CB -1.289 30.842 31.823 0.513 0.000 0.656 884 V HN 0.565 nan 8.190 nan 0.000 0.451 885 A N 1.095 124.130 122.820 0.358 0.000 1.883 885 A HA -0.256 4.253 4.320 0.315 0.000 0.217 885 A C 2.494 180.181 177.584 0.172 0.000 1.186 885 A CA 2.791 54.957 52.037 0.215 0.000 0.624 885 A CB -1.103 17.972 19.000 0.126 0.000 0.822 885 A HN 0.636 nan 8.150 nan 0.000 0.444 886 T N -3.833 110.831 114.554 0.184 0.000 2.904 886 T HA -0.173 4.366 4.350 0.315 0.000 0.267 886 T C 1.815 176.643 174.700 0.212 0.000 1.059 886 T CA 1.464 63.661 62.100 0.162 0.000 1.137 886 T CB -0.509 68.419 68.868 0.101 0.000 0.879 886 T HN 0.477 nan 8.240 nan 0.000 0.467 887 Y N 2.128 122.525 120.300 0.161 0.000 2.133 887 Y HA 0.006 4.745 4.550 0.315 0.000 0.287 887 Y C 2.360 178.422 175.900 0.269 0.000 1.134 887 Y CA 0.880 59.128 58.100 0.246 0.000 1.133 887 Y CB -0.654 38.055 38.460 0.414 0.000 0.987 887 Y HN 0.053 nan 8.280 nan 0.000 0.502 888 V N 0.809 120.787 119.914 0.107 0.000 2.343 888 V HA -0.303 4.007 4.120 0.315 0.000 0.247 888 V C 2.245 178.263 176.094 -0.128 0.000 1.051 888 V CA 2.066 64.321 62.300 -0.075 0.000 1.036 888 V CB -0.657 31.166 31.823 0.000 0.000 0.654 888 V HN 0.451 nan 8.190 nan 0.000 0.451 889 L N 0.228 121.407 121.223 -0.073 0.000 2.599 889 L HA 0.264 4.793 4.340 0.315 0.000 0.230 889 L C 1.641 178.448 176.870 -0.105 0.000 1.141 889 L CA 0.711 55.472 54.840 -0.131 0.000 0.877 889 L CB -0.718 41.303 42.059 -0.064 0.000 1.009 889 L HN 0.544 nan 8.230 nan 0.000 0.447 890 G N 1.528 110.344 108.800 0.027 0.000 2.273 890 G HA2 -0.299 3.851 3.960 0.315 0.000 0.280 890 G HA3 -0.299 3.851 3.960 0.315 0.000 0.280 890 G C 0.166 175.088 174.900 0.038 0.000 1.047 890 G CA -0.064 45.026 45.100 -0.017 0.000 0.869 890 G HN 0.357 nan 8.290 nan 0.000 0.502 891 I N 1.409 122.066 120.570 0.145 0.000 2.322 891 I HA 0.457 4.816 4.170 0.315 0.000 0.292 891 I C 1.310 177.551 176.117 0.208 0.000 1.060 891 I CA 0.365 61.802 61.300 0.228 0.000 1.309 891 I CB 0.729 38.908 38.000 0.297 0.000 1.415 891 I HN 0.202 nan 8.210 nan 0.000 0.492 892 G N 3.055 111.972 108.800 0.193 0.000 2.753 892 G HA2 0.293 4.442 3.960 0.315 0.000 0.285 892 G HA3 0.293 4.442 3.960 0.315 0.000 0.285 892 G C -0.082 174.881 174.900 0.105 0.000 1.344 892 G CA -0.290 44.898 45.100 0.147 0.000 1.050 892 G HN 0.637 nan 8.290 nan 0.000 0.532 893 D N -1.349 119.088 120.400 0.062 0.000 2.772 893 D HA -0.137 4.692 4.640 0.315 0.000 0.233 893 D C 0.336 176.596 176.300 -0.066 0.000 1.143 893 D CA 0.491 54.513 54.000 0.036 0.000 0.700 893 D CB -0.494 40.302 40.800 -0.006 0.000 1.076 893 D HN 0.242 nan 8.370 nan 0.000 0.430 894 R N 0.682 121.178 120.500 -0.006 0.000 2.390 894 R HA 0.540 5.069 4.340 0.315 0.000 0.291 894 R C 0.647 176.906 176.300 -0.068 0.000 1.070 894 R CA -0.049 56.018 56.100 -0.054 0.000 1.014 894 R CB 0.944 31.339 30.300 0.159 0.000 1.007 894 R HN 0.606 nan 8.270 nan 0.000 0.466 895 H N -2.836 116.253 119.070 0.031 0.000 2.883 895 H HA 0.130 4.875 4.556 0.315 0.000 0.277 895 H C 0.389 175.704 175.328 -0.022 0.000 1.451 895 H CA -0.406 55.641 56.048 -0.002 0.000 1.157 895 H CB 0.082 29.836 29.762 -0.014 0.000 1.851 895 H HN 0.328 nan 8.280 nan 0.000 0.566 896 S N -1.477 114.366 115.700 0.238 0.000 2.555 896 S HA -0.097 4.562 4.470 0.315 0.000 0.230 896 S C 0.357 175.003 174.600 0.077 0.000 0.978 896 S CA 1.228 59.496 58.200 0.112 0.000 0.934 896 S CB -0.346 62.891 63.200 0.062 0.000 0.766 896 S HN 0.589 nan 8.310 nan 0.000 0.533 897 D N 2.215 122.751 120.400 0.226 0.000 2.346 897 D HA 0.024 4.853 4.640 0.315 0.000 0.206 897 D C 1.033 177.339 176.300 0.010 0.000 1.001 897 D CA 0.591 54.660 54.000 0.114 0.000 0.871 897 D CB -0.141 40.752 40.800 0.156 0.000 0.943 897 D HN 0.850 nan 8.370 nan 0.000 0.518 898 N N 0.377 119.023 118.700 -0.090 0.000 2.282 898 N HA 0.138 5.067 4.740 0.315 0.000 0.240 898 N C -0.071 175.217 175.510 -0.370 0.000 1.182 898 N CA -0.096 52.812 53.050 -0.238 0.000 0.874 898 N CB 1.072 39.383 38.487 -0.294 0.000 1.126 898 N HN 0.021 nan 8.380 nan 0.000 0.516 899 I N 1.309 121.656 120.570 -0.371 0.000 2.465 899 I HA 0.421 4.780 4.170 0.315 0.000 0.291 899 I C -0.377 175.434 176.117 -0.509 0.000 1.014 899 I CA -0.724 60.237 61.300 -0.565 0.000 1.093 899 I CB 1.987 39.707 38.000 -0.468 0.000 1.267 899 I HN -0.103 nan 8.210 nan 0.000 0.431 900 M N 6.025 125.172 119.600 -0.754 0.000 2.716 900 M HA 0.643 5.312 4.480 0.315 0.000 0.307 900 M C -1.028 174.911 176.300 -0.602 0.000 1.223 900 M CA -0.923 53.922 55.300 -0.758 0.000 0.871 900 M CB 2.854 34.799 32.600 -1.091 0.000 1.739 900 M HN 0.293 nan 8.290 nan 0.000 0.475 901 I N 0.848 121.223 120.570 -0.325 0.000 2.545 901 I HA 0.557 4.917 4.170 0.315 0.000 0.292 901 I C -0.473 175.774 176.117 0.218 0.000 1.040 901 I CA -0.742 60.536 61.300 -0.036 0.000 1.068 901 I CB 1.634 39.592 38.000 -0.069 0.000 1.251 901 I HN 0.721 nan 8.210 nan 0.000 0.424 902 R N 2.765 123.505 120.500 0.400 0.000 2.573 902 R HA 0.326 4.855 4.340 0.315 0.000 0.272 902 R C 0.694 177.285 176.300 0.486 0.000 1.009 902 R CA -0.644 55.729 56.100 0.455 0.000 1.059 902 R CB 1.658 32.187 30.300 0.382 0.000 1.112 902 R HN 0.622 nan 8.270 nan 0.000 0.517 903 E N 0.336 120.764 120.200 0.380 0.000 2.268 903 E HA -0.137 4.402 4.350 0.315 0.000 0.195 903 E C 1.553 178.206 176.600 0.089 0.000 0.995 903 E CA 1.340 57.825 56.400 0.142 0.000 0.836 903 E CB 0.145 29.851 29.700 0.010 0.000 0.763 903 E HN 0.577 nan 8.360 nan 0.000 0.491 904 S N -0.808 114.983 115.700 0.151 0.000 2.481 904 S HA 0.021 4.681 4.470 0.315 0.000 0.231 904 S C 1.715 176.420 174.600 0.175 0.000 0.996 904 S CA 0.718 58.995 58.200 0.129 0.000 0.942 904 S CB 0.238 63.515 63.200 0.128 0.000 0.768 904 S HN 0.389 nan 8.310 nan 0.000 0.520 905 G N 0.098 109.057 108.800 0.264 0.000 2.238 905 G HA2 -0.218 3.931 3.960 0.315 0.000 0.217 905 G HA3 -0.218 3.931 3.960 0.315 0.000 0.217 905 G C -0.128 174.995 174.900 0.372 0.000 0.996 905 G CA -0.135 45.164 45.100 0.331 0.000 0.632 905 G HN 0.587 nan 8.290 nan 0.000 0.503 906 Q N 0.366 120.336 119.800 0.283 0.000 2.300 906 Q HA 0.506 5.036 4.340 0.315 0.000 0.280 906 Q C 0.259 176.418 176.000 0.265 0.000 1.033 906 Q CA 0.258 56.212 55.803 0.251 0.000 0.903 906 Q CB 1.428 30.311 28.738 0.241 0.000 1.195 906 Q HN 0.579 nan 8.270 nan 0.000 0.386 907 L N 4.300 125.595 121.223 0.119 0.000 2.322 907 L HA 0.712 5.241 4.340 0.315 0.000 0.279 907 L C -1.085 175.813 176.870 0.048 0.000 1.036 907 L CA -0.589 54.212 54.840 -0.064 0.000 0.807 907 L CB 0.569 42.342 42.059 -0.476 0.000 1.226 907 L HN 0.701 nan 8.230 nan 0.000 0.433 908 F N 0.750 120.499 119.950 -0.334 0.000 2.789 908 F HA 0.578 5.293 4.527 0.314 0.000 0.319 908 F C -1.317 174.205 175.800 -0.465 0.000 1.168 908 F CA -1.047 56.551 58.000 -0.670 0.000 0.934 908 F CB 1.272 40.123 39.000 -0.248 0.000 1.375 908 F HN 0.352 nan 8.300 nan 0.000 0.480 909 H N 1.294 120.173 119.070 -0.319 0.000 2.572 909 H HA 0.745 5.490 4.556 0.315 0.000 0.359 909 H C -0.804 174.491 175.328 -0.055 0.000 1.134 909 H CA -0.602 55.330 56.048 -0.193 0.000 1.187 909 H CB 2.771 32.547 29.762 0.023 0.000 1.597 909 H HN 0.767 nan 8.280 nan 0.000 0.524 910 I N -1.490 118.923 120.570 -0.262 0.000 3.108 910 I HA 0.361 4.720 4.170 0.315 0.000 0.312 910 I C -0.393 175.386 176.117 -0.563 0.000 1.095 910 I CA -1.032 60.138 61.300 -0.218 0.000 1.000 910 I CB 2.099 40.042 38.000 -0.095 0.000 1.229 910 I HN 0.493 nan 8.210 nan 0.000 0.454 911 D N 2.139 122.339 120.400 -0.334 0.000 3.133 911 D HA -0.208 4.621 4.640 0.315 0.000 0.239 911 D C -1.428 174.739 176.300 -0.221 0.000 1.136 911 D CA 0.743 54.643 54.000 -0.167 0.000 0.898 911 D CB -0.868 39.883 40.800 -0.082 0.000 0.959 911 D HN 0.469 nan 8.370 nan 0.000 0.415 912 F N -0.002 120.019 119.950 0.117 0.000 2.390 912 F HA 0.524 5.240 4.527 0.316 0.000 0.361 912 F C 1.855 177.669 175.800 0.023 0.000 1.124 912 F CA -0.026 58.033 58.000 0.097 0.000 1.149 912 F CB 1.596 40.658 39.000 0.103 0.000 1.160 912 F HN 0.154 nan 8.300 nan 0.000 0.501 913 G N 1.278 110.193 108.800 0.192 0.000 2.921 913 G HA2 0.072 4.222 3.960 0.315 0.000 0.213 913 G HA3 0.072 4.222 3.960 0.315 0.000 0.213 913 G C -0.254 174.436 174.900 -0.350 0.000 1.143 913 G CA 0.147 45.231 45.100 -0.026 0.000 0.764 913 G HN 0.553 nan 8.290 nan 0.000 0.542 914 H N -0.631 118.467 119.070 0.046 0.000 2.637 914 H HA 0.650 5.395 4.556 0.315 0.000 0.363 914 H C -0.748 174.649 175.328 0.114 0.000 1.131 914 H CA -0.971 55.096 56.048 0.032 0.000 1.183 914 H CB 1.819 31.630 29.762 0.080 0.000 1.637 914 H HN 0.212 nan 8.280 nan 0.000 0.531 915 F N -0.491 119.474 119.950 0.026 0.000 2.779 915 F HA 0.377 5.094 4.527 0.316 0.000 0.316 915 F C -0.802 174.843 175.800 -0.259 0.000 1.164 915 F CA -1.703 56.254 58.000 -0.071 0.000 0.924 915 F CB 1.376 40.361 39.000 -0.025 0.000 1.348 915 F HN 0.446 nan 8.300 nan 0.000 0.467 916 L N 1.542 122.558 121.223 -0.345 0.000 3.781 916 L HA -0.249 4.281 4.340 0.315 0.000 0.426 916 L C 1.143 177.317 176.870 -1.160 0.000 1.197 916 L CA 0.981 55.265 54.840 -0.927 0.000 0.907 916 L CB -2.081 39.637 42.059 -0.569 0.000 1.812 916 L HN 1.418 nan 8.230 nan 0.000 0.956 917 G N -0.701 107.540 108.800 -0.931 0.000 2.196 917 G HA2 -0.382 3.767 3.960 0.315 0.000 0.268 917 G HA3 -0.382 3.767 3.960 0.315 0.000 0.268 917 G C 0.332 174.907 174.900 -0.542 0.000 0.975 917 G CA 0.700 45.458 45.100 -0.571 0.000 0.648 917 G HN 0.685 nan 8.290 nan 0.000 0.538 918 N N 1.598 120.046 118.700 -0.420 0.000 3.167 918 N HA 0.386 5.315 4.740 0.315 0.000 0.318 918 N C 1.069 176.549 175.510 -0.050 0.000 1.268 918 N CA -0.119 52.690 53.050 -0.401 0.000 1.197 918 N CB -0.400 37.999 38.487 -0.147 0.000 1.464 918 N HN 0.575 nan 8.380 nan 0.000 0.555 930 V N 4.290 124.426 119.914 0.369 0.000 2.455 930 V HA 0.718 5.027 4.120 0.315 0.000 0.273 930 V C -1.867 174.411 176.094 0.307 0.000 1.045 930 V CA -1.147 61.328 62.300 0.292 0.000 0.976 930 V CB 0.630 32.605 31.823 0.253 0.000 0.993 930 V HN 0.672 nan 8.190 nan 0.000 0.475 931 P HA 0.186 nan 4.420 nan 0.000 0.272 931 P C -0.447 177.056 177.300 0.338 0.000 1.240 931 P CA -0.394 62.867 63.100 0.269 0.000 0.791 931 P CB 0.555 32.345 31.700 0.150 0.000 0.978 932 F N 1.315 121.324 119.950 0.098 0.000 2.506 932 F HA 0.183 4.899 4.527 0.316 0.000 0.351 932 F C 0.235 176.018 175.800 -0.029 0.000 1.136 932 F CA 0.233 58.192 58.000 -0.067 0.000 1.298 932 F CB 0.257 38.943 39.000 -0.523 0.000 1.145 932 F HN 0.057 nan 8.300 nan 0.000 0.593 933 I N 7.436 127.737 120.570 -0.449 0.000 2.410 933 I HA 0.260 4.619 4.170 0.315 0.000 0.286 933 I C -0.881 175.121 176.117 -0.192 0.000 1.009 933 I CA -0.550 60.632 61.300 -0.197 0.000 1.111 933 I CB 1.359 39.308 38.000 -0.086 0.000 1.262 933 I HN 0.499 nan 8.210 nan 0.000 0.443 934 L N 6.224 127.434 121.223 -0.022 0.000 2.301 934 L HA 0.358 4.887 4.340 0.315 0.000 0.278 934 L C 0.111 176.996 176.870 0.025 0.000 1.022 934 L CA -0.340 54.539 54.840 0.065 0.000 0.854 934 L CB 1.483 43.604 42.059 0.103 0.000 1.226 934 L HN 0.533 nan 8.230 nan 0.000 0.429 935 T N 0.962 115.471 114.554 -0.075 0.000 2.817 935 T HA 0.040 4.579 4.350 0.315 0.000 0.293 935 T C 0.803 175.444 174.700 -0.098 0.000 0.964 935 T CA -0.250 61.708 62.100 -0.236 0.000 1.085 935 T CB 1.377 69.768 68.868 -0.796 0.000 0.921 935 T HN 0.371 nan 8.240 nan 0.000 0.502 936 Y N 2.896 123.150 120.300 -0.077 0.000 2.102 936 Y HA -0.256 4.483 4.550 0.315 0.000 0.280 936 Y C 1.911 177.843 175.900 0.052 0.000 1.178 936 Y CA 1.958 60.081 58.100 0.038 0.000 1.146 936 Y CB -0.269 38.279 38.460 0.148 0.000 0.968 936 Y HN 0.641 nan 8.280 nan 0.000 0.504 937 D N -0.982 119.414 120.400 -0.006 0.000 2.264 937 D HA -0.124 4.705 4.640 0.315 0.000 0.208 937 D C 1.889 178.360 176.300 0.284 0.000 0.966 937 D CA 0.969 54.989 54.000 0.033 0.000 0.864 937 D CB -0.292 40.571 40.800 0.105 0.000 0.933 937 D HN 0.296 nan 8.370 nan 0.000 0.499 938 F N -0.005 120.036 119.950 0.153 0.000 2.187 938 F HA -0.013 4.703 4.527 0.315 0.000 0.295 938 F C 2.431 178.333 175.800 0.169 0.000 1.091 938 F CA 0.101 58.290 58.000 0.314 0.000 1.308 938 F CB -1.199 37.992 39.000 0.317 0.000 1.030 938 F HN -0.140 nan 8.300 nan 0.000 0.487 939 V N -0.088 119.960 119.914 0.223 0.000 2.392 939 V HA -0.315 3.994 4.120 0.315 0.000 0.249 939 V C 2.389 178.491 176.094 0.013 0.000 1.059 939 V CA 2.283 64.642 62.300 0.098 0.000 1.051 939 V CB -0.981 30.892 31.823 0.083 0.000 0.658 939 V HN 0.352 nan 8.190 nan 0.000 0.455 940 H N -0.009 118.941 119.070 -0.201 0.000 2.326 940 H HA -0.120 4.625 4.556 0.315 0.000 0.301 940 H C 2.091 177.338 175.328 -0.136 0.000 1.081 940 H CA 2.100 57.997 56.048 -0.252 0.000 1.334 940 H CB -0.172 29.363 29.762 -0.379 0.000 1.385 940 H HN 0.165 nan 8.280 nan 0.000 0.504 941 V N 0.680 120.538 119.914 -0.093 0.000 2.252 941 V HA -0.295 4.014 4.120 0.315 0.000 0.249 941 V C 2.571 178.583 176.094 -0.137 0.000 1.056 941 V CA 2.165 64.313 62.300 -0.253 0.000 1.022 941 V CB -0.649 30.741 31.823 -0.722 0.000 0.641 941 V HN 0.440 nan 8.190 nan 0.000 0.445 942 I N -0.333 120.248 120.570 0.017 0.000 2.264 942 I HA -0.303 4.056 4.170 0.315 0.000 0.248 942 I C 2.407 178.550 176.117 0.043 0.000 1.111 942 I CA 1.611 62.960 61.300 0.082 0.000 1.382 942 I CB -0.346 37.672 38.000 0.031 0.000 1.060 942 I HN 0.389 nan 8.210 nan 0.000 0.418 943 Q N 0.600 120.390 119.800 -0.017 0.000 2.415 943 Q HA -0.046 4.483 4.340 0.315 0.000 0.206 943 Q C -0.055 175.876 176.000 -0.116 0.000 0.946 943 Q CA 0.070 55.848 55.803 -0.042 0.000 0.951 943 Q CB 0.125 28.828 28.738 -0.058 0.000 1.026 943 Q HN 0.490 nan 8.270 nan 0.000 0.510 944 Q N -1.549 118.172 119.800 -0.133 0.000 2.481 944 Q HA -0.295 4.234 4.340 0.315 0.000 0.272 944 Q C 0.698 176.565 176.000 -0.221 0.000 1.157 944 Q CA 0.321 56.043 55.803 -0.136 0.000 0.935 944 Q CB -2.144 26.557 28.738 -0.060 0.000 1.338 944 Q HN 0.669 nan 8.270 nan 0.000 0.494 945 G N -0.935 107.589 108.800 -0.460 0.000 2.217 945 G HA2 -0.319 3.830 3.960 0.315 0.000 0.246 945 G HA3 -0.319 3.830 3.960 0.315 0.000 0.246 945 G C 0.082 174.701 174.900 -0.469 0.000 0.990 945 G CA 0.279 44.984 45.100 -0.657 0.000 0.627 945 G HN 0.275 nan 8.290 nan 0.000 0.522 946 K N 0.686 120.915 120.400 -0.285 0.000 2.144 946 K HA 0.545 5.055 4.320 0.315 0.000 0.270 946 K C 1.454 177.999 176.600 -0.091 0.000 1.005 946 K CA 0.142 56.352 56.287 -0.128 0.000 0.932 946 K CB 0.998 33.453 32.500 -0.075 0.000 1.021 946 K HN 0.067 nan 8.250 nan 0.000 0.462 947 T N 1.018 115.552 114.554 -0.033 0.000 2.821 947 T HA -0.075 4.464 4.350 0.315 0.000 0.267 947 T C 0.323 175.009 174.700 -0.023 0.000 1.046 947 T CA 1.069 63.163 62.100 -0.010 0.000 1.139 947 T CB -0.105 68.754 68.868 -0.015 0.000 0.871 947 T HN 0.540 nan 8.240 nan 0.000 0.454 948 N N 2.117 120.802 118.700 -0.025 0.000 2.346 948 N HA 0.363 5.292 4.740 0.315 0.000 0.289 948 N C -1.310 174.199 175.510 -0.002 0.000 1.027 948 N CA -0.423 52.617 53.050 -0.017 0.000 0.864 948 N CB 1.597 40.077 38.487 -0.012 0.000 1.370 948 N HN 0.024 nan 8.380 nan 0.000 0.481 949 N N 0.661 119.374 118.700 0.022 0.000 2.926 949 N HA -0.034 4.895 4.740 0.315 0.000 0.201 949 N C 0.343 175.922 175.510 0.114 0.000 1.419 949 N CA -0.118 52.963 53.050 0.051 0.000 0.838 949 N CB 0.140 38.648 38.487 0.035 0.000 1.534 949 N HN 0.430 nan 8.380 nan 0.000 0.569 950 S N -0.112 115.652 115.700 0.108 0.000 2.419 950 S HA -0.199 4.460 4.470 0.315 0.000 0.233 950 S C 1.526 176.225 174.600 0.165 0.000 1.016 950 S CA 1.410 59.714 58.200 0.173 0.000 0.974 950 S CB -0.096 63.176 63.200 0.121 0.000 0.786 950 S HN 0.638 nan 8.310 nan 0.000 0.492 951 E N 1.477 121.739 120.200 0.103 0.000 2.077 951 E HA -0.179 4.360 4.350 0.315 0.000 0.193 951 E C 1.963 178.609 176.600 0.077 0.000 0.989 951 E CA 1.078 57.520 56.400 0.071 0.000 0.800 951 E CB -0.080 29.649 29.700 0.049 0.000 0.746 951 E HN 0.273 nan 8.360 nan 0.000 0.452 952 K N 0.044 120.510 120.400 0.110 0.000 2.044 952 K HA -0.061 4.448 4.320 0.315 0.000 0.204 952 K C 1.981 178.685 176.600 0.174 0.000 1.049 952 K CA 0.949 57.308 56.287 0.120 0.000 0.945 952 K CB -0.689 31.880 32.500 0.114 0.000 0.724 952 K HN 0.217 nan 8.250 nan 0.000 0.440 953 F N 3.113 123.128 119.950 0.108 0.000 2.126 953 F HA -0.193 4.523 4.527 0.315 0.000 0.299 953 F C 1.929 177.871 175.800 0.237 0.000 1.096 953 F CA 1.631 59.749 58.000 0.196 0.000 1.255 953 F CB 0.112 39.215 39.000 0.171 0.000 0.997 953 F HN 0.030 nan 8.300 nan 0.000 0.479 954 E N 0.189 120.444 120.200 0.092 0.000 2.208 954 E HA -0.120 4.420 4.350 0.315 0.000 0.193 954 E C 2.348 178.831 176.600 -0.195 0.000 0.988 954 E CA 0.534 56.892 56.400 -0.070 0.000 0.828 954 E CB -0.350 29.370 29.700 0.033 0.000 0.763 954 E HN 0.517 nan 8.360 nan 0.000 0.478 955 R N 0.021 120.414 120.500 -0.179 0.000 2.091 955 R HA -0.135 4.394 4.340 0.315 0.000 0.238 955 R C 2.287 178.190 176.300 -0.662 0.000 1.136 955 R CA 1.289 57.145 56.100 -0.407 0.000 0.959 955 R CB -0.480 29.632 30.300 -0.313 0.000 0.856 955 R HN 0.161 nan 8.270 nan 0.000 0.437 956 F N 1.855 121.528 119.950 -0.460 0.000 2.134 956 F HA -0.180 4.537 4.527 0.315 0.000 0.299 956 F C 2.552 178.206 175.800 -0.243 0.000 1.097 956 F CA 1.450 59.292 58.000 -0.264 0.000 1.264 956 F CB -0.235 38.703 39.000 -0.104 0.000 1.001 956 F HN -0.179 nan 8.300 nan 0.000 0.479 957 R N 0.313 120.479 120.500 -0.556 0.000 2.091 957 R HA -0.135 4.394 4.340 0.315 0.000 0.238 957 R C 2.467 178.433 176.300 -0.556 0.000 1.136 957 R CA 1.625 57.290 56.100 -0.726 0.000 0.959 957 R CB -1.184 28.676 30.300 -0.733 0.000 0.856 957 R HN 0.489 nan 8.270 nan 0.000 0.437 958 G N -0.086 108.448 108.800 -0.444 0.000 2.421 958 G HA2 -0.274 3.875 3.960 0.315 0.000 0.216 958 G HA3 -0.274 3.875 3.960 0.315 0.000 0.216 958 G C 0.990 175.750 174.900 -0.232 0.000 1.171 958 G CA 0.809 45.714 45.100 -0.325 0.000 0.775 958 G HN 0.305 nan 8.290 nan 0.000 0.543 959 Y N 0.838 120.989 120.300 -0.248 0.000 2.081 959 Y HA -0.172 4.567 4.550 0.315 0.000 0.280 959 Y C 3.232 178.934 175.900 -0.329 0.000 1.163 959 Y CA 0.312 58.257 58.100 -0.259 0.000 1.135 959 Y CB -1.391 36.946 38.460 -0.205 0.000 0.970 959 Y HN 0.225 nan 8.280 nan 0.000 0.498 960 C N -0.034 119.126 119.300 -0.234 0.000 2.413 960 C HA -0.210 4.439 4.460 0.315 0.000 0.276 960 C C 2.584 177.438 174.990 -0.227 0.000 1.248 960 C CA 1.187 60.104 59.018 -0.169 0.000 1.742 960 C CB -1.083 26.620 27.740 -0.061 0.000 2.017 960 C HN 0.575 nan 8.230 nan 0.000 0.481 961 E N 0.214 120.241 120.200 -0.288 0.000 2.047 961 E HA -0.157 4.382 4.350 0.315 0.000 0.191 961 E C 2.421 178.902 176.600 -0.199 0.000 0.987 961 E CA 0.816 57.015 56.400 -0.336 0.000 0.799 961 E CB -0.207 29.337 29.700 -0.261 0.000 0.752 961 E HN 0.542 nan 8.360 nan 0.000 0.449 962 R N 0.476 120.889 120.500 -0.145 0.000 2.096 962 R HA -0.189 4.340 4.340 0.315 0.000 0.240 962 R C 2.342 178.584 176.300 -0.098 0.000 1.139 962 R CA 1.505 57.548 56.100 -0.095 0.000 0.952 962 R CB -0.326 29.931 30.300 -0.072 0.000 0.854 962 R HN 0.130 nan 8.270 nan 0.000 0.436 963 A N -0.232 122.464 122.820 -0.206 0.000 1.898 963 A HA -0.208 4.301 4.320 0.315 0.000 0.216 963 A C 1.976 179.675 177.584 0.192 0.000 1.181 963 A CA 1.204 53.067 52.037 -0.289 0.000 0.620 963 A CB -0.713 17.852 19.000 -0.725 0.000 0.819 963 A HN 0.491 nan 8.150 nan 0.000 0.442 964 Y N 1.914 122.146 120.300 -0.114 0.000 2.181 964 Y HA -0.213 4.526 4.550 0.315 0.000 0.288 964 Y C 2.809 178.656 175.900 -0.089 0.000 1.146 964 Y CA 2.387 60.394 58.100 -0.155 0.000 1.164 964 Y CB -0.486 37.562 38.460 -0.687 0.000 0.982 964 Y HN 0.446 nan 8.280 nan 0.000 0.515 965 T N -1.938 112.550 114.554 -0.111 0.000 2.942 965 T HA -0.101 4.439 4.350 0.315 0.000 0.265 965 T C 1.975 176.631 174.700 -0.073 0.000 1.062 965 T CA 1.370 63.386 62.100 -0.140 0.000 1.139 965 T CB -0.744 68.090 68.868 -0.055 0.000 0.883 965 T HN 0.382 nan 8.240 nan 0.000 0.468 966 I N 1.149 121.752 120.570 0.055 0.000 2.226 966 I HA -0.103 4.256 4.170 0.315 0.000 0.245 966 I C 2.492 178.723 176.117 0.191 0.000 1.100 966 I CA 1.237 62.639 61.300 0.169 0.000 1.374 966 I CB -0.412 37.795 38.000 0.345 0.000 1.057 966 I HN 0.202 nan 8.210 nan 0.000 0.413 967 L N 0.032 121.345 121.223 0.151 0.000 2.046 967 L HA -0.184 4.345 4.340 0.315 0.000 0.208 967 L C 2.758 179.622 176.870 -0.011 0.000 1.077 967 L CA 1.300 56.197 54.840 0.096 0.000 0.747 967 L CB -0.704 41.322 42.059 -0.056 0.000 0.896 967 L HN 0.186 nan 8.230 nan 0.000 0.432 968 R N 0.115 120.491 120.500 -0.206 0.000 2.103 968 R HA -0.186 4.343 4.340 0.315 0.000 0.242 968 R C 2.385 178.611 176.300 -0.123 0.000 1.142 968 R CA 1.430 57.404 56.100 -0.211 0.000 0.960 968 R CB -0.392 29.734 30.300 -0.290 0.000 0.858 968 R HN 0.383 nan 8.270 nan 0.000 0.439 969 R N -0.306 120.117 120.500 -0.130 0.000 2.159 969 R HA -0.120 4.409 4.340 0.315 0.000 0.237 969 R C 0.755 176.827 176.300 -0.381 0.000 1.131 969 R CA 1.235 57.195 56.100 -0.233 0.000 0.982 969 R CB -0.156 29.983 30.300 -0.270 0.000 0.868 969 R HN 0.484 nan 8.270 nan 0.000 0.453 970 H N -1.593 117.492 119.070 0.026 0.000 2.487 970 H HA 0.189 4.935 4.556 0.316 0.000 0.290 970 H C 1.592 176.978 175.328 0.097 0.000 1.081 970 H CA 0.055 56.122 56.048 0.031 0.000 1.116 970 H CB 0.672 30.443 29.762 0.014 0.000 1.560 970 H HN 0.240 nan 8.280 nan 0.000 0.548 971 G N 0.868 109.732 108.800 0.106 0.000 2.505 971 G HA2 -0.281 3.869 3.960 0.315 0.000 0.220 971 G HA3 -0.281 3.869 3.960 0.315 0.000 0.220 971 G C 1.519 176.436 174.900 0.029 0.000 1.145 971 G CA 0.774 45.923 45.100 0.083 0.000 0.761 971 G HN 0.382 nan 8.290 nan 0.000 0.571 972 L N -0.402 120.774 121.223 -0.078 0.000 2.131 972 L HA -0.037 4.492 4.340 0.315 0.000 0.210 972 L C 2.669 179.289 176.870 -0.416 0.000 1.092 972 L CA 0.527 55.201 54.840 -0.276 0.000 0.759 972 L CB -0.293 41.634 42.059 -0.219 0.000 0.903 972 L HN 0.272 nan 8.230 nan 0.000 0.435 973 L N -1.156 119.955 121.223 -0.186 0.000 2.109 973 L HA -0.110 4.419 4.340 0.315 0.000 0.207 973 L C 2.192 178.914 176.870 -0.246 0.000 1.086 973 L CA 1.602 56.303 54.840 -0.231 0.000 0.760 973 L CB -0.393 41.529 42.059 -0.229 0.000 0.910 973 L HN -0.014 nan 8.230 nan 0.000 0.437 974 F N -0.534 119.382 119.950 -0.058 0.000 2.171 974 F HA -0.170 4.546 4.527 0.315 0.000 0.300 974 F C 2.202 178.055 175.800 0.088 0.000 1.090 974 F CA 1.413 59.440 58.000 0.044 0.000 1.293 974 F CB -0.610 38.382 39.000 -0.013 0.000 1.013 974 F HN 0.004 nan 8.300 nan 0.000 0.486 975 L N -0.998 120.279 121.223 0.090 0.000 2.056 975 L HA -0.228 4.301 4.340 0.315 0.000 0.207 975 L C 2.383 179.305 176.870 0.088 0.000 1.078 975 L CA 1.618 56.475 54.840 0.028 0.000 0.749 975 L CB -1.006 41.002 42.059 -0.086 0.000 0.901 975 L HN 0.255 nan 8.230 nan 0.000 0.433 976 H N -0.366 118.735 119.070 0.052 0.000 2.353 976 H HA -0.136 4.609 4.556 0.315 0.000 0.300 976 H C 2.396 177.720 175.328 -0.006 0.000 1.090 976 H CA 0.929 56.982 56.048 0.010 0.000 1.327 976 H CB 0.040 29.771 29.762 -0.051 0.000 1.383 976 H HN 0.217 nan 8.280 nan 0.000 0.508 977 L N -0.347 120.917 121.223 0.068 0.000 2.056 977 L HA -0.171 4.358 4.340 0.315 0.000 0.207 977 L C 1.955 178.801 176.870 -0.041 0.000 1.078 977 L CA 0.996 55.811 54.840 -0.043 0.000 0.749 977 L CB -0.353 41.628 42.059 -0.130 0.000 0.901 977 L HN 0.221 nan 8.230 nan 0.000 0.433 978 F N 0.090 120.036 119.950 -0.006 0.000 2.171 978 F HA -0.187 4.529 4.527 0.315 0.000 0.300 978 F C 2.583 178.390 175.800 0.012 0.000 1.090 978 F CA 1.203 59.196 58.000 -0.011 0.000 1.293 978 F CB -0.635 38.341 39.000 -0.040 0.000 1.013 978 F HN 0.009 nan 8.300 nan 0.000 0.486 979 A N 0.139 123.077 122.820 0.198 0.000 1.902 979 A HA -0.148 4.361 4.320 0.315 0.000 0.217 979 A C 2.214 179.880 177.584 0.137 0.000 1.181 979 A CA 1.477 53.606 52.037 0.153 0.000 0.623 979 A CB -1.063 18.032 19.000 0.159 0.000 0.818 979 A HN 0.392 nan 8.150 nan 0.000 0.443 980 L N -1.342 119.944 121.223 0.104 0.000 2.141 980 L HA -0.134 4.395 4.340 0.315 0.000 0.209 980 L C 2.573 179.446 176.870 0.006 0.000 1.094 980 L CA 0.668 55.565 54.840 0.095 0.000 0.763 980 L CB -0.478 41.602 42.059 0.034 0.000 0.908 980 L HN 0.296 nan 8.230 nan 0.000 0.437 981 M N -0.294 119.278 119.600 -0.046 0.000 2.374 981 M HA -0.113 4.556 4.480 0.315 0.000 0.264 981 M C 2.204 178.471 176.300 -0.054 0.000 1.067 981 M CA 1.356 56.594 55.300 -0.104 0.000 1.103 981 M CB -0.937 31.544 32.600 -0.200 0.000 1.402 981 M HN 0.163 nan 8.290 nan 0.000 0.444 982 R N -0.296 120.215 120.500 0.019 0.000 2.226 982 R HA -0.146 4.384 4.340 0.315 0.000 0.246 982 R C 1.837 178.115 176.300 -0.037 0.000 1.161 982 R CA 1.379 57.499 56.100 0.033 0.000 0.997 982 R CB -0.578 29.777 30.300 0.091 0.000 0.870 982 R HN 0.375 nan 8.270 nan 0.000 0.465 983 A N 0.532 123.268 122.820 -0.140 0.000 2.235 983 A HA 0.113 4.622 4.320 0.315 0.000 0.208 983 A C 2.111 179.523 177.584 -0.286 0.000 1.172 983 A CA 1.014 52.812 52.037 -0.397 0.000 0.786 983 A CB -0.188 18.236 19.000 -0.960 0.000 0.804 983 A HN 0.364 nan 8.150 nan 0.000 0.479 984 A N -1.218 121.495 122.820 -0.178 0.000 2.014 984 A HA 0.350 4.859 4.320 0.315 0.000 0.218 984 A C 2.027 179.537 177.584 -0.124 0.000 1.163 984 A CA 1.415 53.369 52.037 -0.139 0.000 0.652 984 A CB -0.814 18.124 19.000 -0.103 0.000 0.808 984 A HN 1.784 nan 8.150 nan 0.000 0.449 985 G N -2.017 106.714 108.800 -0.114 0.000 2.148 985 G HA2 -0.183 3.966 3.960 0.315 0.000 0.254 985 G HA3 -0.183 3.966 3.960 0.315 0.000 0.254 985 G C -0.058 174.802 174.900 -0.065 0.000 0.981 985 G CA 0.215 45.256 45.100 -0.097 0.000 0.670 985 G HN 0.400 nan 8.290 nan 0.000 0.528 986 L N 0.810 122.002 121.223 -0.053 0.000 2.540 986 L HA 0.283 4.812 4.340 0.315 0.000 0.276 986 L C -0.167 176.682 176.870 -0.033 0.000 1.212 986 L CA -0.865 53.946 54.840 -0.047 0.000 0.893 986 L CB 0.757 42.795 42.059 -0.035 0.000 1.138 986 L HN -0.052 nan 8.230 nan 0.000 0.491 987 P HA -0.119 nan 4.420 nan 0.000 0.220 987 P C 0.395 177.686 177.300 -0.015 0.000 1.148 987 P CA 1.098 64.178 63.100 -0.033 0.000 0.803 987 P CB 0.266 31.940 31.700 -0.043 0.000 0.782 988 E N -1.177 119.013 120.200 -0.017 0.000 2.419 988 E HA 0.138 4.678 4.350 0.315 0.000 0.190 988 E C -0.144 176.588 176.600 0.219 0.000 1.040 988 E CA -0.108 56.326 56.400 0.057 0.000 0.900 988 E CB 0.053 29.748 29.700 -0.008 0.000 1.054 988 E HN 0.034 nan 8.360 nan 0.000 0.462 989 L N 0.248 121.565 121.223 0.157 0.000 2.511 989 L HA 0.247 4.776 4.340 0.315 0.000 0.252 989 L C 0.035 176.949 176.870 0.074 0.000 1.542 989 L CA 0.124 55.066 54.840 0.170 0.000 0.822 989 L CB 0.687 42.897 42.059 0.252 0.000 1.050 989 L HN -0.165 nan 8.230 nan 0.000 0.516 990 S N -0.977 114.749 115.700 0.043 0.000 2.566 990 S HA 0.227 4.886 4.470 0.315 0.000 0.234 990 S C 0.733 175.335 174.600 0.003 0.000 1.075 990 S CA 0.470 58.675 58.200 0.008 0.000 0.926 990 S CB 0.333 63.531 63.200 -0.004 0.000 0.811 990 S HN 0.697 nan 8.310 nan 0.000 0.518 991 C N -0.626 118.682 119.300 0.013 0.000 3.274 991 C HA 0.711 5.360 4.460 0.315 0.000 0.371 991 C C 1.770 176.768 174.990 0.014 0.000 2.432 991 C CA -0.382 58.640 59.018 0.006 0.000 1.291 991 C CB 0.740 28.480 27.740 -0.000 0.000 2.851 991 C HN 0.189 nan 8.230 nan 0.000 0.456 992 S N 0.767 116.472 115.700 0.009 0.000 2.387 992 S HA -0.075 4.584 4.470 0.315 0.000 0.226 992 S C 1.802 176.408 174.600 0.009 0.000 1.026 992 S CA 1.143 59.348 58.200 0.009 0.000 0.972 992 S CB -0.291 62.911 63.200 0.004 0.000 0.814 992 S HN 0.673 nan 8.310 nan 0.000 0.477 993 K N 1.792 122.200 120.400 0.013 0.000 2.209 993 K HA -0.039 4.470 4.320 0.315 0.000 0.204 993 K C 1.312 177.932 176.600 0.033 0.000 1.048 993 K CA 0.939 57.239 56.287 0.022 0.000 0.940 993 K CB -0.634 31.882 32.500 0.026 0.000 0.729 993 K HN 0.374 nan 8.250 nan 0.000 0.451 994 D N 0.749 121.158 120.400 0.015 0.000 2.123 994 D HA -0.080 4.749 4.640 0.315 0.000 0.200 994 D C 1.941 178.222 176.300 -0.031 0.000 0.976 994 D CA 0.598 54.593 54.000 -0.008 0.000 0.831 994 D CB -0.008 40.794 40.800 0.003 0.000 0.974 994 D HN 0.048 nan 8.370 nan 0.000 0.469 995 I N 0.872 121.430 120.570 -0.020 0.000 2.226 995 I HA -0.220 4.140 4.170 0.315 0.000 0.245 995 I C 2.406 178.487 176.117 -0.059 0.000 1.100 995 I CA 0.970 62.240 61.300 -0.050 0.000 1.374 995 I CB -0.888 37.111 38.000 -0.001 0.000 1.057 995 I HN 0.009 nan 8.210 nan 0.000 0.413 996 Q N 0.460 120.245 119.800 -0.024 0.000 2.170 996 Q HA -0.255 4.275 4.340 0.315 0.000 0.203 996 Q C 2.185 178.151 176.000 -0.057 0.000 0.976 996 Q CA 1.583 57.364 55.803 -0.037 0.000 0.858 996 Q CB -0.706 28.020 28.738 -0.019 0.000 0.907 996 Q HN 0.529 nan 8.270 nan 0.000 0.433 997 Y N -0.290 119.929 120.300 -0.135 0.000 2.165 997 Y HA -0.231 4.509 4.550 0.316 0.000 0.286 997 Y C 1.696 177.467 175.900 -0.214 0.000 1.155 997 Y CA 1.737 59.742 58.100 -0.160 0.000 1.164 997 Y CB -0.018 38.333 38.460 -0.182 0.000 0.978 997 Y HN 0.165 nan 8.280 nan 0.000 0.513 998 L N -0.179 120.991 121.223 -0.089 0.000 2.156 998 L HA -0.197 4.333 4.340 0.315 0.000 0.208 998 L C 2.302 179.058 176.870 -0.190 0.000 1.095 998 L CA 1.180 55.889 54.840 -0.218 0.000 0.770 998 L CB -0.341 41.485 42.059 -0.387 0.000 0.914 998 L HN 0.222 nan 8.230 nan 0.000 0.439 999 K N -0.228 120.083 120.400 -0.148 0.000 2.057 999 K HA -0.172 4.337 4.320 0.315 0.000 0.207 999 K C 1.545 178.070 176.600 -0.125 0.000 1.049 999 K CA 1.404 57.620 56.287 -0.118 0.000 0.931 999 K CB -0.127 32.319 32.500 -0.090 0.000 0.714 999 K HN 0.324 nan 8.250 nan 0.000 0.440 1000 D N 0.408 120.707 120.400 -0.168 0.000 2.149 1000 D HA -0.101 4.729 4.640 0.315 0.000 0.201 1000 D C 2.113 178.327 176.300 -0.143 0.000 0.972 1000 D CA 1.398 55.293 54.000 -0.175 0.000 0.835 1000 D CB -0.129 40.528 40.800 -0.237 0.000 0.966 1000 D HN 0.174 nan 8.370 nan 0.000 0.476 1001 S N 0.389 115.949 115.700 -0.233 0.000 2.383 1001 S HA -0.069 4.590 4.470 0.315 0.000 0.227 1001 S C 1.987 176.651 174.600 0.107 0.000 1.026 1001 S CA 0.583 58.671 58.200 -0.187 0.000 0.981 1001 S CB -0.492 62.498 63.200 -0.352 0.000 0.818 1001 S HN 0.216 nan 8.310 nan 0.000 0.472 1002 L N 1.283 122.506 121.223 -0.001 0.000 2.592 1002 L HA 0.397 4.926 4.340 0.315 0.000 0.227 1002 L C 1.354 178.230 176.870 0.009 0.000 1.127 1002 L CA 0.155 54.979 54.840 -0.027 0.000 0.884 1002 L CB -0.655 41.307 42.059 -0.160 0.000 1.065 1002 L HN 0.463 nan 8.230 nan 0.000 0.457 1003 A N 0.684 123.529 122.820 0.042 0.000 2.462 1003 A HA -0.224 4.285 4.320 0.315 0.000 0.294 1003 A C 1.397 178.962 177.584 -0.031 0.000 1.461 1003 A CA 0.474 52.510 52.037 -0.003 0.000 0.765 1003 A CB -1.473 17.558 19.000 0.051 0.000 1.071 1003 A HN 0.357 nan 8.150 nan 0.000 0.401 1004 L N -0.657 120.532 121.223 -0.056 0.000 2.478 1004 L HA -0.024 4.505 4.340 0.315 0.000 0.223 1004 L C 2.170 179.011 176.870 -0.049 0.000 1.140 1004 L CA 2.031 56.834 54.840 -0.061 0.000 0.842 1004 L CB -0.879 41.138 42.059 -0.070 0.000 0.953 1004 L HN 0.751 nan 8.230 nan 0.000 0.452 1005 G N -0.519 108.252 108.800 -0.049 0.000 2.985 1005 G HA2 -0.042 4.107 3.960 0.315 0.000 0.209 1005 G HA3 -0.042 4.107 3.960 0.315 0.000 0.209 1005 G C 0.773 175.652 174.900 -0.034 0.000 1.165 1005 G CA -0.132 44.943 45.100 -0.041 0.000 0.776 1005 G HN 0.247 nan 8.290 nan 0.000 0.541 1006 K N 0.570 120.951 120.400 -0.031 0.000 2.185 1006 K HA 0.439 4.948 4.320 0.315 0.000 0.240 1006 K C 0.407 177.001 176.600 -0.009 0.000 0.983 1006 K CA -0.543 55.734 56.287 -0.017 0.000 0.873 1006 K CB 1.228 33.721 32.500 -0.011 0.000 1.118 1006 K HN 0.115 nan 8.250 nan 0.000 0.441 1007 T N -2.333 112.220 114.554 -0.001 0.000 2.802 1007 T HA -0.013 4.526 4.350 0.315 0.000 0.305 1007 T C 1.184 175.890 174.700 0.010 0.000 1.053 1007 T CA -0.322 61.779 62.100 0.001 0.000 1.058 1007 T CB 0.988 69.859 68.868 0.005 0.000 0.988 1007 T HN 0.746 nan 8.240 nan 0.000 0.539 1008 E N -0.041 120.162 120.200 0.005 0.000 2.153 1008 E HA -0.194 4.345 4.350 0.315 0.000 0.194 1008 E C 1.866 178.486 176.600 0.033 0.000 0.988 1008 E CA 1.137 57.544 56.400 0.011 0.000 0.811 1008 E CB -0.005 29.692 29.700 -0.005 0.000 0.746 1008 E HN 0.824 nan 8.360 nan 0.000 0.466 1009 E N 0.579 120.795 120.200 0.027 0.000 2.072 1009 E HA -0.157 4.382 4.350 0.315 0.000 0.190 1009 E C 1.743 178.374 176.600 0.052 0.000 0.982 1009 E CA 1.347 57.766 56.400 0.032 0.000 0.803 1009 E CB 0.156 29.869 29.700 0.021 0.000 0.755 1009 E HN 0.304 nan 8.360 nan 0.000 0.453 1010 E N -0.158 120.073 120.200 0.051 0.000 2.047 1010 E HA -0.157 4.382 4.350 0.315 0.000 0.191 1010 E C 2.079 178.749 176.600 0.116 0.000 0.987 1010 E CA 0.890 57.330 56.400 0.066 0.000 0.799 1010 E CB -0.200 29.524 29.700 0.039 0.000 0.752 1010 E HN 0.310 nan 8.360 nan 0.000 0.449 1011 A N 1.253 124.145 122.820 0.120 0.000 1.940 1011 A HA -0.193 4.317 4.320 0.315 0.000 0.219 1011 A C 2.160 179.930 177.584 0.310 0.000 1.176 1011 A CA 1.143 53.310 52.037 0.217 0.000 0.631 1011 A CB -0.505 18.608 19.000 0.190 0.000 0.814 1011 A HN 0.198 nan 8.150 nan 0.000 0.446 1012 L N -0.166 121.182 121.223 0.208 0.000 2.056 1012 L HA -0.085 4.444 4.340 0.315 0.000 0.207 1012 L C 2.304 179.260 176.870 0.143 0.000 1.078 1012 L CA 2.655 57.595 54.840 0.167 0.000 0.749 1012 L CB -0.647 41.460 42.059 0.081 0.000 0.901 1012 L HN 0.438 nan 8.230 nan 0.000 0.433 1013 K N -1.035 119.435 120.400 0.116 0.000 2.026 1013 K HA -0.282 4.227 4.320 0.315 0.000 0.208 1013 K C 2.297 178.950 176.600 0.088 0.000 1.048 1013 K CA 2.157 58.492 56.287 0.080 0.000 0.929 1013 K CB -0.686 31.856 32.500 0.070 0.000 0.713 1013 K HN 0.550 nan 8.250 nan 0.000 0.439 1014 H N -0.905 118.196 119.070 0.052 0.000 2.319 1014 H HA -0.137 4.608 4.556 0.315 0.000 0.299 1014 H C 1.764 177.093 175.328 0.002 0.000 1.092 1014 H CA 2.368 58.441 56.048 0.041 0.000 1.302 1014 H CB -0.535 29.274 29.762 0.079 0.000 1.373 1014 H HN 0.304 nan 8.280 nan 0.000 0.497 1015 F N 1.218 121.083 119.950 -0.141 0.000 2.126 1015 F HA -0.149 4.567 4.527 0.315 0.000 0.299 1015 F C 2.414 177.978 175.800 -0.394 0.000 1.096 1015 F CA 1.596 59.355 58.000 -0.401 0.000 1.255 1015 F CB -0.225 38.419 39.000 -0.594 0.000 0.997 1015 F HN 0.052 nan 8.300 nan 0.000 0.479 1016 R N -0.233 120.175 120.500 -0.153 0.000 2.127 1016 R HA -0.134 4.396 4.340 0.315 0.000 0.238 1016 R C 2.068 178.248 176.300 -0.200 0.000 1.134 1016 R CA 1.484 57.468 56.100 -0.192 0.000 0.975 1016 R CB -0.627 29.624 30.300 -0.081 0.000 0.865 1016 R HN 0.289 nan 8.270 nan 0.000 0.447 1017 V N 1.231 121.013 119.914 -0.220 0.000 2.379 1017 V HA -0.194 4.116 4.120 0.315 0.000 0.245 1017 V C 2.147 178.084 176.094 -0.261 0.000 1.044 1017 V CA 1.477 63.662 62.300 -0.191 0.000 1.036 1017 V CB -0.318 31.409 31.823 -0.160 0.000 0.664 1017 V HN 0.171 nan 8.190 nan 0.000 0.453 1018 K N -0.289 119.846 120.400 -0.441 0.000 2.097 1018 K HA -0.150 4.360 4.320 0.315 0.000 0.206 1018 K C 2.027 178.354 176.600 -0.454 0.000 1.049 1018 K CA 1.638 57.655 56.287 -0.450 0.000 0.933 1018 K CB -0.631 31.496 32.500 -0.620 0.000 0.717 1018 K HN 0.540 nan 8.250 nan 0.000 0.442 1019 F N 2.522 121.974 119.950 -0.829 0.000 2.098 1019 F HA -0.128 4.588 4.527 0.315 0.000 0.294 1019 F C 1.870 177.516 175.800 -0.257 0.000 1.107 1019 F CA 1.144 58.685 58.000 -0.766 0.000 1.234 1019 F CB -0.143 38.233 39.000 -1.039 0.000 1.002 1019 F HN 0.006 nan 8.300 nan 0.000 0.472 1020 N N 0.938 119.716 118.700 0.131 0.000 2.149 1020 N HA -0.208 4.721 4.740 0.315 0.000 0.188 1020 N C 1.682 177.193 175.510 0.002 0.000 1.019 1020 N CA 1.741 54.861 53.050 0.117 0.000 0.857 1020 N CB -0.553 37.981 38.487 0.079 0.000 0.997 1020 N HN 0.507 nan 8.380 nan 0.000 0.426 1021 E N 0.337 120.504 120.200 -0.055 0.000 2.118 1021 E HA -0.106 4.433 4.350 0.315 0.000 0.195 1021 E C 1.826 178.400 176.600 -0.043 0.000 0.992 1021 E CA 1.024 57.394 56.400 -0.050 0.000 0.804 1021 E CB -0.056 29.604 29.700 -0.065 0.000 0.741 1021 E HN 0.388 nan 8.360 nan 0.000 0.458 1022 A N 1.020 123.798 122.820 -0.070 0.000 1.898 1022 A HA -0.138 4.372 4.320 0.315 0.000 0.216 1022 A C 2.111 179.676 177.584 -0.032 0.000 1.181 1022 A CA 0.780 52.797 52.037 -0.033 0.000 0.620 1022 A CB -0.410 18.613 19.000 0.038 0.000 0.819 1022 A HN 0.212 nan 8.150 nan 0.000 0.442 1023 L N 0.029 121.219 121.223 -0.056 0.000 2.046 1023 L HA -0.122 4.408 4.340 0.315 0.000 0.208 1023 L C 2.393 179.272 176.870 0.015 0.000 1.077 1023 L CA 1.860 56.701 54.840 0.002 0.000 0.747 1023 L CB -0.660 41.426 42.059 0.046 0.000 0.896 1023 L HN 0.352 nan 8.230 nan 0.000 0.432 1024 R N -0.614 119.891 120.500 0.007 0.000 2.083 1024 R HA -0.213 4.316 4.340 0.315 0.000 0.237 1024 R C 2.184 178.486 176.300 0.003 0.000 1.137 1024 R CA 1.536 57.640 56.100 0.007 0.000 0.951 1024 R CB -0.371 29.929 30.300 -0.001 0.000 0.851 1024 R HN 0.305 nan 8.270 nan 0.000 0.434 1025 E N 0.881 121.076 120.200 -0.009 0.000 2.265 1025 E HA -0.067 4.472 4.350 0.315 0.000 0.196 1025 E C 0.062 176.649 176.600 -0.022 0.000 0.996 1025 E CA 0.552 56.936 56.400 -0.028 0.000 0.832 1025 E CB -0.007 29.679 29.700 -0.025 0.000 0.756 1025 E HN -0.003 nan 8.360 nan 0.000 0.491 1026 S N 0.553 116.273 115.700 0.034 0.000 2.503 1026 S HA 0.142 4.801 4.470 0.315 0.000 0.317 1026 S C -0.871 173.825 174.600 0.160 0.000 1.162 1026 S CA -0.181 58.087 58.200 0.115 0.000 1.124 1026 S CB -0.803 62.501 63.200 0.173 0.000 1.207 1026 S HN 0.322 nan 8.310 nan 0.000 0.538 1027 W N 0.000 121.207 121.300 -0.156 0.000 2.388 1027 W HA 0.000 4.849 4.660 0.315 0.000 0.303 1027 W CA 0.000 57.214 57.345 -0.218 0.000 1.226 1027 W CB 0.000 29.218 29.460 -0.403 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535