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 2wxq_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 62.305 62.300 0.008 0.000 1.235 109 V CB 0.000 31.826 31.823 0.005 0.000 1.184 110 K N 1.954 122.361 120.400 0.012 0.000 2.160 110 K HA -0.173 4.420 4.320 0.454 0.000 0.206 110 K C 1.896 178.509 176.600 0.022 0.000 1.047 110 K CA 2.268 58.565 56.287 0.016 0.000 0.930 110 K CB -0.275 32.235 32.500 0.017 0.000 0.720 110 K HN 0.344 nan 8.250 nan 0.000 0.450 111 K N 0.424 120.836 120.400 0.020 0.000 2.057 111 K HA -0.097 4.496 4.320 0.454 0.000 0.206 111 K C 2.049 178.661 176.600 0.021 0.000 1.050 111 K CA 1.372 57.672 56.287 0.022 0.000 0.935 111 K CB -0.407 32.103 32.500 0.017 0.000 0.715 111 K HN 0.301 nan 8.250 nan 0.000 0.439 112 L N 1.407 122.640 121.223 0.016 0.000 2.056 112 L HA -0.087 4.526 4.340 0.454 0.000 0.207 112 L C 2.168 179.047 176.870 0.015 0.000 1.078 112 L CA 1.268 56.116 54.840 0.014 0.000 0.749 112 L CB -0.257 41.807 42.059 0.010 0.000 0.901 112 L HN 0.119 nan 8.230 nan 0.000 0.433 113 I N 0.040 120.619 120.570 0.016 0.000 2.151 113 I HA -0.351 4.092 4.170 0.454 0.000 0.243 113 I C 2.095 178.228 176.117 0.027 0.000 1.080 113 I CA 1.414 62.724 61.300 0.016 0.000 1.339 113 I CB -0.611 37.398 38.000 0.015 0.000 1.039 113 I HN 0.411 nan 8.210 nan 0.000 0.409 114 N N 0.666 119.388 118.700 0.036 0.000 2.120 114 N HA -0.163 4.849 4.740 0.454 0.000 0.188 114 N C 2.045 177.583 175.510 0.046 0.000 1.024 114 N CA 1.950 55.030 53.050 0.051 0.000 0.852 114 N CB -0.451 38.069 38.487 0.056 0.000 1.003 114 N HN 0.441 nan 8.380 nan 0.000 0.424 115 S N 0.369 116.091 115.700 0.036 0.000 2.406 115 S HA -0.054 4.689 4.470 0.454 0.000 0.228 115 S C 1.906 176.523 174.600 0.029 0.000 1.020 115 S CA 0.575 58.795 58.200 0.033 0.000 0.965 115 S CB -0.241 62.975 63.200 0.026 0.000 0.798 115 S HN 0.267 nan 8.310 nan 0.000 0.488 116 Q N 0.964 120.778 119.800 0.022 0.000 1.993 116 Q HA 0.047 4.659 4.340 0.454 0.000 0.202 116 Q C 2.251 178.264 176.000 0.022 0.000 0.984 116 Q CA 1.823 57.634 55.803 0.014 0.000 0.837 116 Q CB -0.464 28.274 28.738 0.000 0.000 0.902 116 Q HN 0.559 nan 8.270 nan 0.000 0.423 117 I N 0.436 121.024 120.570 0.031 0.000 2.143 117 I HA -0.383 4.059 4.170 0.454 0.000 0.245 117 I C 2.344 178.501 176.117 0.068 0.000 1.068 117 I CA 1.124 62.458 61.300 0.057 0.000 1.326 117 I CB -0.358 37.691 38.000 0.082 0.000 1.028 117 I HN 0.171 nan 8.210 nan 0.000 0.412 118 S N 0.574 116.304 115.700 0.050 0.000 2.353 118 S HA -0.198 4.545 4.470 0.454 0.000 0.222 118 S C 1.901 176.523 174.600 0.038 0.000 1.035 118 S CA 1.427 59.644 58.200 0.029 0.000 1.025 118 S CB -0.394 62.819 63.200 0.021 0.000 0.902 118 S HN 0.298 nan 8.310 nan 0.000 0.440 119 L N 1.124 122.372 121.223 0.042 0.000 2.131 119 L HA 0.016 4.628 4.340 0.454 0.000 0.210 119 L C 2.007 178.918 176.870 0.068 0.000 1.092 119 L CA 1.233 56.102 54.840 0.048 0.000 0.759 119 L CB -0.483 41.599 42.059 0.038 0.000 0.903 119 L HN 0.252 nan 8.230 nan 0.000 0.435 120 L N -0.191 121.074 121.223 0.070 0.000 2.056 120 L HA -0.118 4.494 4.340 0.454 0.000 0.207 120 L C 2.201 179.176 176.870 0.175 0.000 1.078 120 L CA 2.073 56.974 54.840 0.102 0.000 0.749 120 L CB -0.499 41.586 42.059 0.044 0.000 0.901 120 L HN 0.465 nan 8.230 nan 0.000 0.433 121 I N -4.577 116.080 120.570 0.145 0.000 3.419 121 I HA 0.358 4.800 4.170 0.454 0.000 0.286 121 I C 1.561 177.726 176.117 0.080 0.000 1.268 121 I CA 0.686 62.063 61.300 0.130 0.000 1.414 121 I CB -0.406 37.689 38.000 0.158 0.000 1.074 121 I HN 0.315 nan 8.210 nan 0.000 0.457 122 G N 1.694 110.538 108.800 0.074 0.000 2.176 122 G HA2 -0.307 3.926 3.960 0.454 0.000 0.253 122 G HA3 -0.307 3.926 3.960 0.454 0.000 0.253 122 G C 0.169 175.084 174.900 0.025 0.000 0.979 122 G CA 0.388 45.524 45.100 0.060 0.000 0.641 122 G HN 0.579 nan 8.290 nan 0.000 0.530 123 K N 0.266 120.662 120.400 -0.008 0.000 2.443 123 K HA 0.588 5.181 4.320 0.454 0.000 0.252 123 K C 0.543 177.021 176.600 -0.204 0.000 0.933 123 K CA -0.214 56.009 56.287 -0.106 0.000 0.792 123 K CB 1.328 33.762 32.500 -0.111 0.000 1.185 123 K HN 0.400 nan 8.250 nan 0.000 0.425 124 G N 3.602 112.233 108.800 -0.282 0.000 2.403 124 G HA2 0.161 4.393 3.960 0.454 0.000 0.259 124 G HA3 0.161 4.393 3.960 0.454 0.000 0.259 124 G C 0.883 175.392 174.900 -0.652 0.000 1.244 124 G CA -0.496 44.409 45.100 -0.325 0.000 0.849 124 G HN 0.708 nan 8.290 nan 0.000 0.532 125 L N 1.505 122.492 121.223 -0.394 0.000 2.187 125 L HA -0.155 4.457 4.340 0.454 0.000 0.213 125 L C 2.644 179.316 176.870 -0.329 0.000 1.100 125 L CA 1.641 56.239 54.840 -0.402 0.000 0.765 125 L CB -0.594 41.460 42.059 -0.008 0.000 0.904 125 L HN 0.923 nan 8.230 nan 0.000 0.437 126 H N -0.880 118.093 119.070 -0.162 0.000 2.457 126 H HA -0.140 4.688 4.556 0.454 0.000 0.297 126 H C 1.752 177.020 175.328 -0.100 0.000 1.092 126 H CA 1.204 57.201 56.048 -0.085 0.000 1.309 126 H CB -0.449 29.276 29.762 -0.062 0.000 1.382 126 H HN 0.414 nan 8.280 nan 0.000 0.535 127 E N 0.200 120.027 120.200 -0.621 0.000 2.152 127 E HA -0.079 4.544 4.350 0.454 0.000 0.192 127 E C 1.132 177.638 176.600 -0.157 0.000 0.983 127 E CA 0.661 56.817 56.400 -0.406 0.000 0.818 127 E CB -0.092 29.276 29.700 -0.554 0.000 0.758 127 E HN 0.456 nan 8.360 nan 0.000 0.467 128 F N 2.090 121.991 119.950 -0.083 0.000 2.134 128 F HA -0.146 4.654 4.527 0.455 0.000 0.299 128 F C 1.954 177.751 175.800 -0.005 0.000 1.097 128 F CA 0.789 58.767 58.000 -0.036 0.000 1.264 128 F CB -0.699 38.291 39.000 -0.016 0.000 1.001 128 F HN -0.030 nan 8.300 nan 0.000 0.479 129 D N -0.330 120.176 120.400 0.177 0.000 2.097 129 D HA -0.122 4.791 4.640 0.454 0.000 0.197 129 D C 2.240 178.594 176.300 0.091 0.000 0.984 129 D CA 1.571 55.646 54.000 0.125 0.000 0.826 129 D CB -0.460 40.406 40.800 0.110 0.000 0.973 129 D HN 0.188 nan 8.370 nan 0.000 0.460 130 S N 0.909 116.652 115.700 0.073 0.000 2.440 130 S HA -0.091 4.651 4.470 0.454 0.000 0.240 130 S C 2.128 176.754 174.600 0.042 0.000 1.014 130 S CA 0.389 58.621 58.200 0.053 0.000 0.980 130 S CB -0.210 63.018 63.200 0.046 0.000 0.775 130 S HN 0.280 nan 8.310 nan 0.000 0.499 131 L N 0.891 122.146 121.223 0.054 0.000 2.362 131 L HA 0.050 4.663 4.340 0.454 0.000 0.219 131 L C 0.621 177.520 176.870 0.048 0.000 1.134 131 L CA 0.336 55.203 54.840 0.046 0.000 0.807 131 L CB -0.363 41.733 42.059 0.063 0.000 0.927 131 L HN 0.226 nan 8.230 nan 0.000 0.447 132 R N 0.828 121.363 120.500 0.058 0.000 3.387 132 R HA -0.204 4.408 4.340 0.454 0.000 0.254 132 R C -0.309 176.028 176.300 0.061 0.000 1.006 132 R CA 0.654 56.789 56.100 0.058 0.000 0.677 132 R CB -2.227 28.103 30.300 0.050 0.000 1.063 132 R HN 0.326 nan 8.270 nan 0.000 0.453 133 D N -0.200 120.237 120.400 0.061 0.000 2.425 133 D HA 0.308 5.220 4.640 0.454 0.000 0.240 133 D C -1.616 174.719 176.300 0.059 0.000 1.080 133 D CA -2.560 51.474 54.000 0.058 0.000 0.836 133 D CB 1.640 42.462 40.800 0.036 0.000 1.125 133 D HN -0.131 nan 8.370 nan 0.000 0.525 134 P HA -0.095 nan 4.420 nan 0.000 0.218 134 P C 1.067 178.415 177.300 0.080 0.000 1.149 134 P CA 0.800 63.982 63.100 0.137 0.000 0.817 134 P CB 0.459 32.292 31.700 0.222 0.000 0.785 135 E N -0.140 120.003 120.200 -0.094 0.000 2.051 135 E HA -0.152 4.471 4.350 0.454 0.000 0.192 135 E C 1.812 178.248 176.600 -0.273 0.000 0.991 135 E CA 1.297 57.333 56.400 -0.606 0.000 0.799 135 E CB -0.615 28.690 29.700 -0.659 0.000 0.748 135 E HN -0.095 nan 8.360 nan 0.000 0.449 136 V N 1.651 121.483 119.914 -0.136 0.000 2.295 136 V HA -0.262 4.131 4.120 0.454 0.000 0.246 136 V C 2.042 178.133 176.094 -0.004 0.000 1.049 136 V CA 1.973 64.215 62.300 -0.097 0.000 1.024 136 V CB -0.730 31.037 31.823 -0.093 0.000 0.648 136 V HN 0.351 nan 8.190 nan 0.000 0.447 137 N N 0.446 119.161 118.700 0.024 0.000 2.094 137 N HA -0.177 4.836 4.740 0.454 0.000 0.191 137 N C 1.537 177.092 175.510 0.076 0.000 1.023 137 N CA 1.774 54.862 53.050 0.062 0.000 0.857 137 N CB -0.494 38.038 38.487 0.074 0.000 1.013 137 N HN 0.487 nan 8.380 nan 0.000 0.426 138 D N -0.158 120.289 120.400 0.079 0.000 2.117 138 D HA -0.091 4.822 4.640 0.454 0.000 0.198 138 D C 1.769 178.117 176.300 0.079 0.000 0.982 138 D CA 0.381 54.435 54.000 0.091 0.000 0.828 138 D CB -0.519 40.370 40.800 0.147 0.000 0.967 138 D HN 0.219 nan 8.370 nan 0.000 0.464 139 F N 2.021 121.927 119.950 -0.073 0.000 2.095 139 F HA -0.215 4.585 4.527 0.454 0.000 0.298 139 F C 2.359 178.124 175.800 -0.059 0.000 1.104 139 F CA 1.551 59.505 58.000 -0.077 0.000 1.232 139 F CB 0.136 39.063 39.000 -0.121 0.000 0.987 139 F HN -0.183 nan 8.300 nan 0.000 0.475 140 R N -0.433 120.213 120.500 0.244 0.000 2.081 140 R HA -0.141 4.472 4.340 0.454 0.000 0.235 140 R C 2.229 178.562 176.300 0.055 0.000 1.131 140 R CA 2.110 58.295 56.100 0.143 0.000 0.960 140 R CB -1.060 29.294 30.300 0.089 0.000 0.856 140 R HN 0.453 nan 8.270 nan 0.000 0.436 141 T N -0.910 113.670 114.554 0.043 0.000 2.896 141 T HA -0.019 4.604 4.350 0.454 0.000 0.263 141 T C 1.837 176.540 174.700 0.004 0.000 1.050 141 T CA 0.782 62.901 62.100 0.032 0.000 1.140 141 T CB 0.036 68.929 68.868 0.042 0.000 0.877 141 T HN 0.009 nan 8.240 nan 0.000 0.457 142 K N 0.834 121.214 120.400 -0.033 0.000 1.984 142 K HA 0.138 4.730 4.320 0.454 0.000 0.209 142 K C 2.340 178.889 176.600 -0.085 0.000 1.046 142 K CA 1.149 57.397 56.287 -0.065 0.000 0.934 142 K CB -0.428 32.004 32.500 -0.113 0.000 0.717 142 K HN 0.099 nan 8.250 nan 0.000 0.438 143 M N 0.645 120.116 119.600 -0.214 0.000 2.267 143 M HA -0.123 4.630 4.480 0.454 0.000 0.263 143 M C 2.092 178.402 176.300 0.018 0.000 1.063 143 M CA 1.429 56.617 55.300 -0.188 0.000 1.090 143 M CB -0.866 31.438 32.600 -0.493 0.000 1.392 143 M HN 0.213 nan 8.290 nan 0.000 0.422 144 R N 0.032 120.541 120.500 0.015 0.000 2.073 144 R HA -0.163 4.449 4.340 0.454 0.000 0.229 144 R C 2.195 178.520 176.300 0.042 0.000 1.120 144 R CA 1.445 57.568 56.100 0.039 0.000 0.967 144 R CB -0.115 30.207 30.300 0.038 0.000 0.862 144 R HN 0.446 nan 8.270 nan 0.000 0.436 145 Q N -0.538 119.293 119.800 0.050 0.000 2.124 145 Q HA -0.203 4.410 4.340 0.454 0.000 0.202 145 Q C 1.733 177.779 176.000 0.077 0.000 0.977 145 Q CA 1.740 57.574 55.803 0.051 0.000 0.850 145 Q CB -0.165 28.603 28.738 0.051 0.000 0.901 145 Q HN 0.347 nan 8.270 nan 0.000 0.429 146 F N 0.075 119.992 119.950 -0.054 0.000 2.084 146 F HA -0.221 4.579 4.527 0.454 0.000 0.296 146 F C 2.093 177.866 175.800 -0.046 0.000 1.111 146 F CA 1.360 59.328 58.000 -0.054 0.000 1.224 146 F CB -0.747 38.209 39.000 -0.073 0.000 0.991 146 F HN 0.167 nan 8.300 nan 0.000 0.471 147 C N 0.534 119.798 119.300 -0.060 0.000 2.422 147 C HA -0.151 4.581 4.460 0.454 0.000 0.279 147 C C 2.632 177.520 174.990 -0.169 0.000 1.305 147 C CA 1.253 60.175 59.018 -0.160 0.000 1.757 147 C CB -1.312 26.418 27.740 -0.017 0.000 1.962 147 C HN 0.538 nan 8.230 nan 0.000 0.499 148 E N 0.496 120.635 120.200 -0.101 0.000 2.150 148 E HA -0.175 4.448 4.350 0.454 0.000 0.193 148 E C 2.036 178.570 176.600 -0.109 0.000 0.985 148 E CA 0.997 57.344 56.400 -0.087 0.000 0.814 148 E CB -0.075 29.600 29.700 -0.043 0.000 0.752 148 E HN 0.667 nan 8.360 nan 0.000 0.466 149 E N 0.396 120.513 120.200 -0.138 0.000 2.107 149 E HA -0.133 4.489 4.350 0.454 0.000 0.191 149 E C 2.028 178.529 176.600 -0.166 0.000 0.982 149 E CA 0.772 57.092 56.400 -0.133 0.000 0.809 149 E CB -0.047 29.578 29.700 -0.124 0.000 0.756 149 E HN 0.218 nan 8.360 nan 0.000 0.459 150 A N 1.615 124.258 122.820 -0.295 0.000 1.865 150 A HA -0.199 4.393 4.320 0.454 0.000 0.217 150 A C 2.426 179.921 177.584 -0.149 0.000 1.191 150 A CA 1.953 53.831 52.037 -0.265 0.000 0.623 150 A CB -0.910 17.860 19.000 -0.383 0.000 0.826 150 A HN 0.308 nan 8.150 nan 0.000 0.444 151 A N -0.333 122.389 122.820 -0.164 0.000 1.940 151 A HA 0.133 4.725 4.320 0.454 0.000 0.219 151 A C 2.508 180.025 177.584 -0.111 0.000 1.176 151 A CA 2.251 54.202 52.037 -0.144 0.000 0.631 151 A CB -1.048 17.872 19.000 -0.132 0.000 0.814 151 A HN 1.121 nan 8.150 nan 0.000 0.446 152 A N -0.647 122.121 122.820 -0.087 0.000 1.865 152 A HA -0.206 4.386 4.320 0.454 0.000 0.217 152 A C 2.018 179.566 177.584 -0.061 0.000 1.191 152 A CA 2.229 54.226 52.037 -0.068 0.000 0.623 152 A CB -1.037 17.933 19.000 -0.050 0.000 0.826 152 A HN 0.796 nan 8.150 nan 0.000 0.444 153 H N -0.186 118.806 119.070 -0.130 0.000 2.265 153 H HA -0.199 4.630 4.556 0.454 0.000 0.295 153 H C 2.223 177.476 175.328 -0.125 0.000 1.084 153 H CA 2.451 58.427 56.048 -0.119 0.000 1.261 153 H CB -0.255 29.428 29.762 -0.131 0.000 1.360 153 H HN 0.447 nan 8.280 nan 0.000 0.487 154 R N -0.178 120.236 120.500 -0.144 0.000 2.119 154 R HA -0.175 4.437 4.340 0.454 0.000 0.246 154 R C 1.931 178.113 176.300 -0.195 0.000 1.146 154 R CA 1.863 57.833 56.100 -0.218 0.000 0.962 154 R CB -0.077 30.048 30.300 -0.292 0.000 0.863 154 R HN 0.415 nan 8.270 nan 0.000 0.442 155 Q N 0.206 119.899 119.800 -0.178 0.000 2.541 155 Q HA -0.153 4.460 4.340 0.454 0.000 0.215 155 Q C 0.961 176.852 176.000 -0.181 0.000 0.977 155 Q CA 1.279 56.978 55.803 -0.173 0.000 0.934 155 Q CB 0.289 28.936 28.738 -0.152 0.000 0.988 155 Q HN 0.728 nan 8.270 nan 0.000 0.521 156 Q N -1.164 118.510 119.800 -0.210 0.000 2.149 156 Q HA 0.204 4.817 4.340 0.454 0.000 0.221 156 Q C -0.105 175.768 176.000 -0.211 0.000 0.807 156 Q CA -0.176 55.509 55.803 -0.197 0.000 1.000 156 Q CB 0.103 28.731 28.738 -0.183 0.000 1.157 156 Q HN 0.155 nan 8.270 nan 0.000 0.487 157 L N 1.935 123.027 121.223 -0.219 0.000 2.483 157 L HA 0.233 4.845 4.340 0.454 0.000 0.276 157 L C 1.095 177.922 176.870 -0.071 0.000 1.213 157 L CA 0.310 55.062 54.840 -0.146 0.000 0.843 157 L CB 0.182 42.198 42.059 -0.072 0.000 1.107 157 L HN 0.217 nan 8.230 nan 0.000 0.487 158 G N 1.369 110.124 108.800 -0.076 0.000 2.667 158 G HA2 -0.054 4.178 3.960 0.454 0.000 0.250 158 G HA3 -0.054 4.178 3.960 0.454 0.000 0.250 158 G C 0.746 175.632 174.900 -0.024 0.000 1.212 158 G CA -0.171 44.892 45.100 -0.062 0.000 0.874 158 G HN 1.032 nan 8.290 nan 0.000 0.561 159 W N 0.101 121.364 121.300 -0.062 0.000 2.355 159 W HA -0.128 4.804 4.660 0.454 0.000 0.309 159 W C 1.481 177.972 176.519 -0.046 0.000 1.206 159 W CA 1.267 58.581 57.345 -0.051 0.000 1.284 159 W CB -1.282 28.111 29.460 -0.112 0.000 1.145 159 W HN 0.206 nan 8.180 nan 0.000 0.502 160 V N 2.284 121.635 119.914 -0.938 0.000 2.332 160 V HA -0.326 4.067 4.120 0.454 0.000 0.248 160 V C 2.556 178.388 176.094 -0.435 0.000 1.055 160 V CA 2.649 64.404 62.300 -0.908 0.000 1.038 160 V CB -0.933 30.248 31.823 -1.070 0.000 0.651 160 V HN 0.164 nan 8.190 nan 0.000 0.450 161 E N -0.822 119.215 120.200 -0.272 0.000 2.110 161 E HA -0.247 4.375 4.350 0.454 0.000 0.193 161 E C 2.012 178.586 176.600 -0.043 0.000 0.988 161 E CA 1.481 57.807 56.400 -0.123 0.000 0.804 161 E CB -0.252 29.398 29.700 -0.084 0.000 0.745 161 E HN 0.824 nan 8.360 nan 0.000 0.458 162 W N 1.681 122.897 121.300 -0.139 0.000 2.363 162 W HA -0.160 4.773 4.660 0.454 0.000 0.296 162 W C 1.447 177.906 176.519 -0.099 0.000 1.212 162 W CA 0.954 58.250 57.345 -0.081 0.000 1.260 162 W CB -0.270 29.142 29.460 -0.080 0.000 1.131 162 W HN 0.078 nan 8.180 nan 0.000 0.530 163 L N 0.957 122.058 121.223 -0.203 0.000 1.989 163 L HA -0.302 4.311 4.340 0.454 0.000 0.211 163 L C 2.879 179.560 176.870 -0.314 0.000 1.071 163 L CA 1.939 56.573 54.840 -0.344 0.000 0.749 163 L CB -1.092 40.687 42.059 -0.466 0.000 0.890 163 L HN 0.005 nan 8.230 nan 0.000 0.431 164 Q N -1.236 118.450 119.800 -0.189 0.000 2.152 164 Q HA -0.295 4.317 4.340 0.454 0.000 0.206 164 Q C 2.016 177.924 176.000 -0.152 0.000 0.985 164 Q CA 2.271 58.067 55.803 -0.012 0.000 0.863 164 Q CB -0.314 28.443 28.738 0.032 0.000 0.904 164 Q HN 0.535 nan 8.270 nan 0.000 0.422 165 Y N -0.190 119.870 120.300 -0.399 0.000 2.184 165 Y HA -0.104 4.718 4.550 0.454 0.000 0.290 165 Y C 2.420 177.897 175.900 -0.704 0.000 1.129 165 Y CA 1.593 59.398 58.100 -0.490 0.000 1.144 165 Y CB -0.298 37.835 38.460 -0.545 0.000 0.995 165 Y HN -0.086 nan 8.280 nan 0.000 0.513 166 S N -0.865 114.011 115.700 -1.373 0.000 2.388 166 S HA 0.116 4.859 4.470 0.454 0.000 0.223 166 S C -0.344 173.291 174.600 -1.608 0.000 1.034 166 S CA 0.468 57.524 58.200 -1.906 0.000 0.963 166 S CB -0.245 61.511 63.200 -2.405 0.000 0.827 166 S HN 0.303 nan 8.310 nan 0.000 0.481 167 F N 1.861 121.565 119.950 -0.411 0.000 2.809 167 F HA 0.470 5.270 4.527 0.454 0.000 0.369 167 F C -2.870 172.907 175.800 -0.039 0.000 1.225 167 F CA -2.792 55.112 58.000 -0.159 0.000 1.201 167 F CB 0.492 39.519 39.000 0.046 0.000 1.527 167 F HN -0.079 nan 8.300 nan 0.000 0.565 168 P HA 0.069 nan 4.420 nan 0.000 0.269 168 P C 0.212 177.536 177.300 0.040 0.000 1.209 168 P CA -0.232 62.880 63.100 0.020 0.000 0.776 168 P CB 0.901 32.549 31.700 -0.086 0.000 0.876 169 L N 2.096 123.312 121.223 -0.012 0.000 2.543 169 L HA -0.065 4.548 4.340 0.454 0.000 0.285 169 L C 0.968 177.791 176.870 -0.079 0.000 1.236 169 L CA 0.828 55.608 54.840 -0.100 0.000 0.871 169 L CB -0.362 41.564 42.059 -0.220 0.000 1.121 169 L HN 0.370 nan 8.230 nan 0.000 0.501 170 Q N 4.262 124.045 119.800 -0.027 0.000 2.462 170 Q HA 0.504 5.117 4.340 0.454 0.000 0.247 170 Q C -1.134 174.837 176.000 -0.048 0.000 1.044 170 Q CA -0.223 55.556 55.803 -0.040 0.000 0.803 170 Q CB 1.366 30.102 28.738 -0.004 0.000 1.190 170 Q HN 0.475 nan 8.270 nan 0.000 0.507 171 L N 1.146 122.280 121.223 -0.148 0.000 2.334 171 L HA 0.427 5.040 4.340 0.454 0.000 0.272 171 L C 0.365 177.133 176.870 -0.170 0.000 1.020 171 L CA -1.146 53.557 54.840 -0.228 0.000 0.812 171 L CB 1.307 43.122 42.059 -0.406 0.000 1.264 171 L HN 0.350 nan 8.230 nan 0.000 0.439 172 E N 1.885 121.982 120.200 -0.172 0.000 2.384 172 E HA 0.169 4.792 4.350 0.454 0.000 0.266 172 E C -1.970 174.523 176.600 -0.178 0.000 1.012 172 E CA -1.182 55.129 56.400 -0.147 0.000 0.901 172 E CB 0.243 29.859 29.700 -0.141 0.000 0.967 172 E HN 0.327 nan 8.360 nan 0.000 0.435 188 R N 1.559 122.079 120.500 0.033 0.000 2.637 188 R HA 0.751 5.363 4.340 0.454 0.000 0.291 188 R C -0.679 175.639 176.300 0.031 0.000 0.963 188 R CA -0.360 55.759 56.100 0.031 0.000 0.901 188 R CB 1.317 31.638 30.300 0.035 0.000 1.160 188 R HN 0.453 nan 8.270 nan 0.000 0.457 189 A N 3.963 126.799 122.820 0.027 0.000 2.425 189 A HA 0.492 5.085 4.320 0.454 0.000 0.242 189 A C -0.143 177.458 177.584 0.028 0.000 1.077 189 A CA -0.170 51.884 52.037 0.028 0.000 0.781 189 A CB 0.202 19.217 19.000 0.025 0.000 1.020 189 A HN 0.689 nan 8.150 nan 0.000 0.494 190 L N -0.566 120.677 121.223 0.033 0.000 2.612 190 L HA 0.679 5.292 4.340 0.454 0.000 0.256 190 L C -1.485 175.407 176.870 0.036 0.000 0.949 190 L CA -0.924 53.933 54.840 0.028 0.000 0.867 190 L CB 1.367 43.442 42.059 0.026 0.000 1.417 190 L HN 0.525 nan 8.230 nan 0.000 0.414 191 L N 3.161 124.400 121.223 0.026 0.000 2.305 191 L HA 0.702 5.315 4.340 0.454 0.000 0.281 191 L C -0.389 176.489 176.870 0.014 0.000 1.085 191 L CA -0.690 54.165 54.840 0.025 0.000 0.813 191 L CB 1.690 43.753 42.059 0.008 0.000 1.157 191 L HN 0.455 nan 8.230 nan 0.000 0.436 192 V N 3.207 123.140 119.914 0.031 0.000 2.823 192 V HA 0.363 4.756 4.120 0.454 0.000 0.312 192 V C -0.388 175.674 176.094 -0.054 0.000 1.072 192 V CA -0.778 61.531 62.300 0.014 0.000 0.937 192 V CB 2.260 34.139 31.823 0.094 0.000 1.013 192 V HN 0.783 nan 8.190 nan 0.000 0.430 193 N N 2.571 121.152 118.700 -0.199 0.000 2.372 193 N HA 0.645 5.658 4.740 0.454 0.000 0.291 193 N C -1.636 173.815 175.510 -0.098 0.000 1.024 193 N CA -0.206 52.679 53.050 -0.275 0.000 0.873 193 N CB 2.072 40.153 38.487 -0.677 0.000 1.206 193 N HN 0.401 nan 8.380 nan 0.000 0.486 194 V N 3.234 123.172 119.914 0.040 0.000 2.656 194 V HA 0.485 4.877 4.120 0.454 0.000 0.307 194 V C -0.301 175.915 176.094 0.204 0.000 1.051 194 V CA -0.777 61.607 62.300 0.141 0.000 0.893 194 V CB 1.828 33.823 31.823 0.286 0.000 0.999 194 V HN 0.728 nan 8.190 nan 0.000 0.426 195 K N 2.565 123.022 120.400 0.095 0.000 2.480 195 K HA 0.752 5.345 4.320 0.454 0.000 0.258 195 K C -1.657 174.978 176.600 0.059 0.000 0.990 195 K CA -0.785 55.604 56.287 0.170 0.000 0.857 195 K CB 2.304 34.858 32.500 0.090 0.000 1.384 195 K HN 0.326 nan 8.250 nan 0.000 0.446 196 F N 0.986 121.023 119.950 0.146 0.000 2.425 196 F HA 0.226 5.026 4.527 0.454 0.000 0.331 196 F C 1.898 177.753 175.800 0.091 0.000 1.085 196 F CA -0.573 57.498 58.000 0.119 0.000 1.028 196 F CB 1.892 40.954 39.000 0.103 0.000 1.177 196 F HN 0.880 nan 8.300 nan 0.000 0.487 197 E N 2.155 122.506 120.200 0.251 0.000 2.035 197 E HA -0.209 4.413 4.350 0.454 0.000 0.204 197 E C 1.865 178.540 176.600 0.126 0.000 1.025 197 E CA 1.622 58.115 56.400 0.154 0.000 0.835 197 E CB -0.340 29.446 29.700 0.143 0.000 0.764 197 E HN 0.865 nan 8.360 nan 0.000 0.457 198 G N 0.073 108.948 108.800 0.125 0.000 3.295 198 G HA2 0.080 4.312 3.960 0.454 0.000 0.231 198 G HA3 0.080 4.312 3.960 0.454 0.000 0.231 198 G C -0.221 174.733 174.900 0.090 0.000 1.277 198 G CA 0.433 45.585 45.100 0.087 0.000 1.013 198 G HN 0.157 nan 8.290 nan 0.000 0.509 199 S N -1.528 114.237 115.700 0.108 0.000 2.550 199 S HA 0.408 5.151 4.470 0.454 0.000 0.270 199 S C 0.190 174.836 174.600 0.076 0.000 1.145 199 S CA -0.542 57.718 58.200 0.100 0.000 0.852 199 S CB 1.638 64.919 63.200 0.136 0.000 1.119 199 S HN 0.054 nan 8.310 nan 0.000 0.465 200 E N 1.259 121.485 120.200 0.043 0.000 2.276 200 E HA 0.180 4.802 4.350 0.454 0.000 0.193 200 E C -0.201 176.381 176.600 -0.029 0.000 0.983 200 E CA 0.399 56.807 56.400 0.012 0.000 0.861 200 E CB 0.133 29.835 29.700 0.003 0.000 0.817 200 E HN 0.680 nan 8.360 nan 0.000 0.485 201 E N 0.801 120.973 120.200 -0.047 0.000 2.384 201 E HA 0.211 4.833 4.350 0.454 0.000 0.266 201 E C -0.256 176.141 176.600 -0.338 0.000 1.012 201 E CA 0.023 56.322 56.400 -0.168 0.000 0.901 201 E CB 0.850 30.471 29.700 -0.131 0.000 0.967 201 E HN 0.069 nan 8.360 nan 0.000 0.435 202 S N 1.926 117.300 115.700 -0.544 0.000 2.638 202 S HA 0.725 5.468 4.470 0.454 0.000 0.274 202 S C -1.195 172.894 174.600 -0.852 0.000 1.157 202 S CA -1.012 56.787 58.200 -0.667 0.000 0.826 202 S CB 0.892 63.962 63.200 -0.217 0.000 1.139 202 S HN 0.332 nan 8.310 nan 0.000 0.474 203 F N -0.160 119.704 119.950 -0.144 0.000 2.576 203 F HA 0.669 5.469 4.527 0.455 0.000 0.313 203 F C 0.009 175.449 175.800 -0.600 0.000 1.078 203 F CA -0.758 57.021 58.000 -0.369 0.000 0.921 203 F CB 2.499 41.223 39.000 -0.460 0.000 1.232 203 F HN 0.539 nan 8.300 nan 0.000 0.459 204 T N 2.820 117.106 114.554 -0.447 0.000 2.791 204 T HA 0.613 5.236 4.350 0.454 0.000 0.288 204 T C -1.071 173.345 174.700 -0.474 0.000 0.999 204 T CA -0.457 61.400 62.100 -0.404 0.000 0.952 204 T CB 0.211 68.966 68.868 -0.188 0.000 0.938 204 T HN 0.248 nan 8.240 nan 0.000 0.444 205 F N 1.309 121.279 119.950 0.034 0.000 2.492 205 F HA 0.518 5.317 4.527 0.454 0.000 0.327 205 F C 0.648 176.452 175.800 0.006 0.000 1.079 205 F CA -1.304 56.708 58.000 0.020 0.000 0.967 205 F CB 1.357 40.362 39.000 0.008 0.000 1.169 205 F HN 0.341 nan 8.300 nan 0.000 0.472 206 Q N 2.212 122.137 119.800 0.208 0.000 2.286 206 Q HA 0.605 5.218 4.340 0.454 0.000 0.257 206 Q C -1.023 175.047 176.000 0.118 0.000 0.941 206 Q CA -0.516 55.362 55.803 0.125 0.000 0.912 206 Q CB 1.245 30.032 28.738 0.082 0.000 1.192 206 Q HN 0.681 nan 8.270 nan 0.000 0.410 207 V N -0.125 119.838 119.914 0.081 0.000 3.141 207 V HA 0.628 5.020 4.120 0.454 0.000 0.312 207 V C -0.483 175.634 176.094 0.037 0.000 1.157 207 V CA -1.156 61.171 62.300 0.045 0.000 1.041 207 V CB 1.647 33.489 31.823 0.031 0.000 1.071 207 V HN 0.698 nan 8.190 nan 0.000 0.441 208 S N 0.235 115.951 115.700 0.026 0.000 2.562 208 S HA 0.324 5.067 4.470 0.454 0.000 0.275 208 S C 1.419 176.040 174.600 0.035 0.000 1.281 208 S CA 0.261 58.477 58.200 0.028 0.000 1.045 208 S CB 1.170 64.382 63.200 0.020 0.000 0.962 208 S HN 1.356 nan 8.310 nan 0.000 0.503 209 T N 2.039 116.618 114.554 0.042 0.000 2.996 209 T HA -0.161 4.462 4.350 0.454 0.000 0.271 209 T C 1.266 175.997 174.700 0.052 0.000 1.126 209 T CA 1.481 63.615 62.100 0.056 0.000 1.103 209 T CB -0.465 68.441 68.868 0.062 0.000 0.870 209 T HN 0.823 nan 8.240 nan 0.000 0.528 210 K N 0.394 120.813 120.400 0.032 0.000 2.379 210 K HA 0.151 4.744 4.320 0.454 0.000 0.194 210 K C -0.148 176.454 176.600 0.004 0.000 1.031 210 K CA -0.192 56.102 56.287 0.011 0.000 1.037 210 K CB 0.125 32.630 32.500 0.009 0.000 0.824 210 K HN 0.132 nan 8.250 nan 0.000 0.516 211 D N 2.166 122.577 120.400 0.018 0.000 2.455 211 D HA 0.021 4.934 4.640 0.454 0.000 0.241 211 D C 0.336 176.657 176.300 0.035 0.000 1.138 211 D CA 0.436 54.445 54.000 0.014 0.000 0.877 211 D CB 0.578 41.382 40.800 0.006 0.000 1.187 211 D HN 0.058 nan 8.370 nan 0.000 0.451 212 M N 3.268 122.883 119.600 0.026 0.000 2.245 212 M HA 0.068 4.820 4.480 0.454 0.000 0.344 212 M C -1.296 175.047 176.300 0.071 0.000 1.170 212 M CA -1.621 53.714 55.300 0.057 0.000 1.135 212 M CB 0.107 32.721 32.600 0.024 0.000 1.574 212 M HN 0.043 nan 8.290 nan 0.000 0.452 213 P HA -0.180 nan 4.420 nan 0.000 0.218 213 P C 1.585 178.910 177.300 0.042 0.000 1.146 213 P CA 1.068 64.209 63.100 0.068 0.000 0.820 213 P CB 0.024 31.782 31.700 0.096 0.000 0.778 214 L N -0.810 120.445 121.223 0.053 0.000 2.093 214 L HA -0.051 4.562 4.340 0.454 0.000 0.208 214 L C 2.240 179.103 176.870 -0.011 0.000 1.085 214 L CA 1.771 56.633 54.840 0.036 0.000 0.755 214 L CB -1.271 40.814 42.059 0.044 0.000 0.904 214 L HN -0.117 nan 8.230 nan 0.000 0.435 215 A N -0.771 122.035 122.820 -0.024 0.000 1.930 215 A HA -0.183 4.409 4.320 0.454 0.000 0.217 215 A C 2.309 179.822 177.584 -0.118 0.000 1.175 215 A CA 1.872 53.874 52.037 -0.059 0.000 0.627 215 A CB -0.824 18.149 19.000 -0.045 0.000 0.815 215 A HN 0.516 nan 8.150 nan 0.000 0.443 216 L N -1.104 120.053 121.223 -0.110 0.000 2.044 216 L HA -0.125 4.487 4.340 0.454 0.000 0.205 216 L C 2.627 179.362 176.870 -0.225 0.000 1.075 216 L CA 1.527 56.260 54.840 -0.178 0.000 0.747 216 L CB -0.243 41.761 42.059 -0.091 0.000 0.903 216 L HN 0.400 nan 8.230 nan 0.000 0.435 217 M N -0.471 119.044 119.600 -0.141 0.000 2.149 217 M HA -0.219 4.533 4.480 0.454 0.000 0.261 217 M C 2.376 178.575 176.300 -0.169 0.000 1.064 217 M CA 1.788 56.994 55.300 -0.157 0.000 1.102 217 M CB -0.563 31.998 32.600 -0.064 0.000 1.369 217 M HN 0.472 nan 8.290 nan 0.000 0.408 218 A N -0.536 122.205 122.820 -0.133 0.000 1.933 218 A HA -0.188 4.405 4.320 0.454 0.000 0.218 218 A C 2.304 179.775 177.584 -0.188 0.000 1.175 218 A CA 1.644 53.610 52.037 -0.119 0.000 0.628 218 A CB -1.228 17.722 19.000 -0.084 0.000 0.814 218 A HN 0.588 nan 8.150 nan 0.000 0.444 219 C N -1.345 117.765 119.300 -0.316 0.000 2.442 219 C HA 0.056 4.788 4.460 0.454 0.000 0.279 219 C C 3.316 178.016 174.990 -0.484 0.000 1.237 219 C CA 0.895 59.606 59.018 -0.511 0.000 1.722 219 C CB -1.311 25.849 27.740 -0.966 0.000 2.056 219 C HN 0.727 nan 8.230 nan 0.000 0.469 220 A N 0.456 122.996 122.820 -0.466 0.000 1.894 220 A HA -0.271 4.321 4.320 0.454 0.000 0.220 220 A C 2.043 179.618 177.584 -0.014 0.000 1.237 220 A CA 2.376 54.348 52.037 -0.108 0.000 0.660 220 A CB -0.944 17.970 19.000 -0.144 0.000 0.835 220 A HN 0.654 nan 8.150 nan 0.000 0.461 221 L N -1.554 119.660 121.223 -0.015 0.000 2.056 221 L HA -0.177 4.435 4.340 0.454 0.000 0.207 221 L C 2.885 179.701 176.870 -0.089 0.000 1.078 221 L CA 1.539 56.372 54.840 -0.012 0.000 0.749 221 L CB -0.486 41.559 42.059 -0.025 0.000 0.901 221 L HN 0.360 nan 8.230 nan 0.000 0.433 222 R N -0.241 120.199 120.500 -0.099 0.000 2.115 222 R HA -0.099 4.514 4.340 0.454 0.000 0.230 222 R C 2.311 178.567 176.300 -0.073 0.000 1.111 222 R CA 0.735 56.789 56.100 -0.077 0.000 0.976 222 R CB -0.163 30.092 30.300 -0.075 0.000 0.870 222 R HN 0.264 nan 8.270 nan 0.000 0.445 223 K N 1.171 121.501 120.400 -0.116 0.000 2.001 223 K HA -0.148 4.445 4.320 0.454 0.000 0.208 223 K C 1.987 178.467 176.600 -0.201 0.000 1.048 223 K CA 1.103 57.300 56.287 -0.150 0.000 0.932 223 K CB -0.196 32.164 32.500 -0.233 0.000 0.715 223 K HN 0.090 nan 8.250 nan 0.000 0.437 224 K N 0.761 120.962 120.400 -0.332 0.000 2.001 224 K HA -0.160 4.433 4.320 0.454 0.000 0.214 224 K C 1.944 178.550 176.600 0.010 0.000 1.050 224 K CA 1.729 57.908 56.287 -0.179 0.000 0.934 224 K CB -0.202 31.996 32.500 -0.503 0.000 0.718 224 K HN 0.105 nan 8.250 nan 0.000 0.443 225 A N 0.400 123.190 122.820 -0.050 0.000 2.178 225 A HA -0.128 4.465 4.320 0.454 0.000 0.218 225 A C 1.999 179.622 177.584 0.064 0.000 1.157 225 A CA 2.048 54.093 52.037 0.014 0.000 0.689 225 A CB -0.805 18.181 19.000 -0.023 0.000 0.787 225 A HN 0.725 nan 8.150 nan 0.000 0.465 226 T N -3.365 111.226 114.554 0.060 0.000 2.901 226 T HA -0.032 4.590 4.350 0.454 0.000 0.252 226 T C 1.436 176.188 174.700 0.086 0.000 1.035 226 T CA 1.183 63.321 62.100 0.063 0.000 1.142 226 T CB -0.790 68.108 68.868 0.049 0.000 0.869 226 T HN 0.132 nan 8.240 nan 0.000 0.442 227 V N -0.061 119.935 119.914 0.137 0.000 3.383 227 V HA 0.189 4.582 4.120 0.454 0.000 0.272 227 V C 1.366 177.487 176.094 0.045 0.000 1.181 227 V CA 1.067 63.441 62.300 0.124 0.000 1.171 227 V CB -1.427 30.544 31.823 0.247 0.000 0.800 227 V HN 0.445 nan 8.190 nan 0.000 0.515 228 F N -1.165 118.784 119.950 -0.002 0.000 2.912 228 F HA 0.352 5.151 4.527 0.454 0.000 0.357 228 F C 1.542 177.328 175.800 -0.024 0.000 1.003 228 F CA -0.244 57.743 58.000 -0.022 0.000 1.132 228 F CB 0.765 39.733 39.000 -0.054 0.000 1.055 228 F HN -0.135 nan 8.300 nan 0.000 0.572 229 R N 0.516 121.095 120.500 0.131 0.000 3.426 229 R HA -0.206 4.407 4.340 0.454 0.000 0.478 229 R C 0.223 176.561 176.300 0.063 0.000 0.673 229 R CA 1.125 57.268 56.100 0.071 0.000 1.455 229 R CB -1.698 28.628 30.300 0.044 0.000 2.122 229 R HN 0.604 nan 8.270 nan 0.000 0.418 236 P HA -0.124 nan 4.420 nan 0.000 0.220 236 P C 0.236 177.684 177.300 0.247 0.000 1.148 236 P CA 0.977 64.185 63.100 0.180 0.000 0.803 236 P CB 0.463 32.211 31.700 0.080 0.000 0.782 237 E N -0.257 120.063 120.200 0.200 0.000 2.333 237 E HA -0.142 4.480 4.350 0.454 0.000 0.198 237 E C 1.490 178.260 176.600 0.284 0.000 1.007 237 E CA 0.749 57.277 56.400 0.213 0.000 0.845 237 E CB -0.548 29.243 29.700 0.152 0.000 0.766 237 E HN 0.353 nan 8.360 nan 0.000 0.507 238 E N -0.584 119.719 120.200 0.171 0.000 2.476 238 E HA 0.020 4.643 4.350 0.454 0.000 0.191 238 E C -0.487 175.748 176.600 -0.608 0.000 1.064 238 E CA 0.203 56.472 56.400 -0.219 0.000 0.866 238 E CB 0.284 29.807 29.700 -0.295 0.000 0.952 238 E HN 0.305 nan 8.360 nan 0.000 0.492 239 Y N -0.238 120.043 120.300 -0.033 0.000 2.524 239 Y HA 0.542 5.364 4.550 0.454 0.000 0.344 239 Y C 0.011 176.025 175.900 0.189 0.000 1.012 239 Y CA -0.966 57.121 58.100 -0.023 0.000 1.068 239 Y CB 1.895 40.373 38.460 0.030 0.000 1.249 239 Y HN -0.180 nan 8.280 nan 0.000 0.468 240 A N 2.490 125.520 122.820 0.350 0.000 2.401 240 A HA 0.785 5.377 4.320 0.454 0.000 0.310 240 A C -1.692 176.100 177.584 0.348 0.000 1.075 240 A CA -0.801 51.488 52.037 0.420 0.000 0.746 240 A CB 1.002 20.299 19.000 0.496 0.000 1.277 240 A HN 0.748 nan 8.150 nan 0.000 0.425 241 L N 1.982 123.362 121.223 0.262 0.000 2.265 241 L HA 0.367 4.980 4.340 0.454 0.000 0.288 241 L C 0.563 177.429 176.870 -0.006 0.000 1.058 241 L CA -0.148 54.745 54.840 0.089 0.000 0.809 241 L CB 1.245 43.297 42.059 -0.011 0.000 1.179 241 L HN 0.846 nan 8.230 nan 0.000 0.429 242 Q N 2.185 121.865 119.800 -0.200 0.000 2.230 242 Q HA 0.379 4.991 4.340 0.454 0.000 0.248 242 Q C -0.923 174.826 176.000 -0.419 0.000 0.915 242 Q CA -0.772 54.636 55.803 -0.659 0.000 0.900 242 Q CB 1.923 30.253 28.738 -0.680 0.000 1.229 242 Q HN 0.412 nan 8.270 nan 0.000 0.439 243 V N 4.211 123.819 119.914 -0.510 0.000 2.508 243 V HA 0.047 4.439 4.120 0.454 0.000 0.281 243 V C -0.031 175.848 176.094 -0.359 0.000 1.041 243 V CA -0.638 61.375 62.300 -0.478 0.000 1.016 243 V CB 0.734 32.107 31.823 -0.749 0.000 0.984 243 V HN 0.760 nan 8.190 nan 0.000 0.478 244 N N 3.871 122.443 118.700 -0.213 0.000 2.411 244 N HA 0.185 5.197 4.740 0.454 0.000 0.261 244 N C 1.267 176.680 175.510 -0.162 0.000 1.248 244 N CA 1.204 54.172 53.050 -0.137 0.000 0.885 244 N CB 0.624 39.090 38.487 -0.035 0.000 1.062 244 N HN 1.116 nan 8.380 nan 0.000 0.471 245 G N 1.480 110.186 108.800 -0.157 0.000 2.168 245 G HA2 -0.323 3.910 3.960 0.454 0.000 0.257 245 G HA3 -0.323 3.910 3.960 0.454 0.000 0.257 245 G C 0.009 174.783 174.900 -0.210 0.000 0.997 245 G CA 0.209 45.216 45.100 -0.154 0.000 0.708 245 G HN 0.626 nan 8.290 nan 0.000 0.520 246 R N -1.292 119.046 120.500 -0.269 0.000 2.807 246 R HA 0.472 5.084 4.340 0.454 0.000 0.276 246 R C -0.659 175.456 176.300 -0.309 0.000 0.979 246 R CA -1.091 54.838 56.100 -0.285 0.000 0.928 246 R CB 0.884 31.026 30.300 -0.265 0.000 1.191 246 R HN 0.166 nan 8.270 nan 0.000 0.471 247 H N 1.424 120.362 119.070 -0.219 0.000 2.966 247 H HA 0.164 4.992 4.556 0.455 0.000 0.217 247 H C -0.535 174.653 175.328 -0.234 0.000 1.906 247 H CA 0.228 56.087 56.048 -0.316 0.000 1.351 247 H CB -0.335 29.389 29.762 -0.062 0.000 1.722 247 H HN 0.436 nan 8.280 nan 0.000 0.562 248 E N 0.825 120.885 120.200 -0.234 0.000 2.314 248 E HA 0.396 5.019 4.350 0.454 0.000 0.272 248 E C -1.436 174.944 176.600 -0.366 0.000 0.884 248 E CA -0.733 55.589 56.400 -0.131 0.000 0.753 248 E CB 1.679 31.274 29.700 -0.176 0.000 1.213 248 E HN 0.131 nan 8.360 nan 0.000 0.432 249 Y N 1.910 122.202 120.300 -0.014 0.000 2.534 249 Y HA 0.461 5.284 4.550 0.454 0.000 0.345 249 Y C -1.022 174.864 175.900 -0.024 0.000 1.031 249 Y CA -0.901 57.243 58.100 0.074 0.000 1.022 249 Y CB 1.623 40.291 38.460 0.346 0.000 1.292 249 Y HN 0.398 nan 8.280 nan 0.000 0.459 250 L N 4.234 125.489 121.223 0.053 0.000 2.319 250 L HA 0.553 5.166 4.340 0.454 0.000 0.281 250 L C -1.214 175.647 176.870 -0.016 0.000 1.005 250 L CA -1.023 53.573 54.840 -0.408 0.000 0.828 250 L CB 0.499 42.119 42.059 -0.732 0.000 1.227 250 L HN 0.608 nan 8.230 nan 0.000 0.415 251 Y N 1.167 121.540 120.300 0.121 0.000 2.677 251 Y HA 0.876 5.699 4.550 0.454 0.000 0.334 251 Y C 0.057 176.253 175.900 0.494 0.000 1.196 251 Y CA -1.086 57.172 58.100 0.264 0.000 1.059 251 Y CB 1.103 39.691 38.460 0.214 0.000 1.315 251 Y HN 0.860 nan 8.280 nan 0.000 0.455 252 G N 1.367 110.459 108.800 0.487 0.000 2.541 252 G HA2 -0.069 4.163 3.960 0.454 0.000 0.686 252 G HA3 -0.069 4.163 3.960 0.454 0.000 0.686 252 G C -1.844 173.041 174.900 -0.025 0.000 1.286 252 G CA -0.950 44.304 45.100 0.257 0.000 0.894 252 G HN 0.893 nan 8.290 nan 0.000 0.575 253 N N 0.835 119.237 118.700 -0.498 0.000 2.918 253 N HA 0.460 5.473 4.740 0.454 0.000 0.247 253 N C -1.274 173.831 175.510 -0.674 0.000 1.117 253 N CA 0.252 53.050 53.050 -0.419 0.000 1.005 253 N CB 0.200 38.506 38.487 -0.301 0.000 1.297 253 N HN 0.430 nan 8.380 nan 0.000 0.513 254 Y N 0.497 120.790 120.300 -0.013 0.000 2.361 254 Y HA 0.338 5.161 4.550 0.455 0.000 0.328 254 Y C -2.168 173.627 175.900 -0.175 0.000 1.044 254 Y CA -2.441 55.530 58.100 -0.215 0.000 1.085 254 Y CB 1.782 39.968 38.460 -0.458 0.000 1.194 254 Y HN 0.223 nan 8.280 nan 0.000 0.438 255 P HA 0.014 nan 4.420 nan 0.000 0.266 255 P C 0.955 178.287 177.300 0.052 0.000 1.193 255 P CA 0.169 63.191 63.100 -0.130 0.000 0.770 255 P CB 1.229 32.768 31.700 -0.268 0.000 0.836 256 L N 2.747 124.081 121.223 0.184 0.000 2.054 256 L HA -0.283 4.329 4.340 0.454 0.000 0.220 256 L C 2.374 179.464 176.870 0.366 0.000 1.081 256 L CA 2.489 57.522 54.840 0.322 0.000 0.780 256 L CB -1.077 41.083 42.059 0.169 0.000 0.893 256 L HN 0.537 nan 8.230 nan 0.000 0.438 257 C N -3.365 116.069 119.300 0.223 0.000 2.613 257 C HA 0.082 4.814 4.460 0.454 0.000 0.273 257 C C 2.092 177.215 174.990 0.222 0.000 1.304 257 C CA -0.653 58.487 59.018 0.204 0.000 1.702 257 C CB -1.893 25.936 27.740 0.147 0.000 1.792 257 C HN 0.442 nan 8.230 nan 0.000 0.588 258 H N -0.261 118.799 119.070 -0.016 0.000 2.462 258 H HA 0.069 4.897 4.556 0.454 0.000 0.292 258 H C 0.042 175.197 175.328 -0.287 0.000 1.049 258 H CA 0.641 56.577 56.048 -0.188 0.000 1.334 258 H CB -0.067 29.517 29.762 -0.297 0.000 1.404 258 H HN 0.483 nan 8.280 nan 0.000 0.544 259 F N 2.108 122.112 119.950 0.090 0.000 2.494 259 F HA -0.019 4.780 4.527 0.454 0.000 0.369 259 F C 1.587 177.413 175.800 0.043 0.000 1.098 259 F CA -0.044 57.973 58.000 0.028 0.000 1.154 259 F CB 0.571 39.606 39.000 0.058 0.000 1.103 259 F HN 0.044 nan 8.300 nan 0.000 0.549 260 Q N 2.028 121.920 119.800 0.153 0.000 2.182 260 Q HA -0.318 4.295 4.340 0.454 0.000 0.213 260 Q C 1.761 177.858 176.000 0.161 0.000 1.000 260 Q CA 2.296 58.166 55.803 0.113 0.000 0.889 260 Q CB -0.401 28.385 28.738 0.080 0.000 0.932 260 Q HN 0.850 nan 8.270 nan 0.000 0.415 261 Y N 0.657 121.015 120.300 0.097 0.000 2.200 261 Y HA -0.229 4.593 4.550 0.454 0.000 0.290 261 Y C 1.836 177.788 175.900 0.086 0.000 1.137 261 Y CA 1.178 59.321 58.100 0.072 0.000 1.163 261 Y CB -0.096 38.388 38.460 0.040 0.000 0.988 261 Y HN 0.040 nan 8.280 nan 0.000 0.518 262 I N -0.586 119.969 120.570 -0.025 0.000 2.113 262 I HA -0.327 4.116 4.170 0.454 0.000 0.238 262 I C 2.904 178.991 176.117 -0.051 0.000 1.070 262 I CA 1.463 62.706 61.300 -0.094 0.000 1.332 262 I CB -1.832 36.227 38.000 0.098 0.000 1.044 262 I HN 0.417 nan 8.210 nan 0.000 0.402 263 C N 0.310 119.637 119.300 0.044 0.000 2.413 263 C HA -0.186 4.547 4.460 0.454 0.000 0.277 263 C C 3.458 178.473 174.990 0.042 0.000 1.265 263 C CA 1.734 60.785 59.018 0.056 0.000 1.752 263 C CB -0.949 26.826 27.740 0.058 0.000 1.998 263 C HN 0.599 nan 8.230 nan 0.000 0.489 264 S N -0.973 114.733 115.700 0.010 0.000 2.353 264 S HA -0.200 4.543 4.470 0.454 0.000 0.222 264 S C 1.993 176.600 174.600 0.010 0.000 1.035 264 S CA 2.119 60.331 58.200 0.021 0.000 1.025 264 S CB -0.675 62.547 63.200 0.037 0.000 0.902 264 S HN 0.807 nan 8.310 nan 0.000 0.440 265 C N 1.485 120.715 119.300 -0.117 0.000 2.388 265 C HA -0.048 4.684 4.460 0.454 0.000 0.277 265 C C 2.535 177.514 174.990 -0.019 0.000 1.210 265 C CA 0.835 59.782 59.018 -0.119 0.000 1.743 265 C CB -1.643 25.933 27.740 -0.274 0.000 2.047 265 C HN 0.615 nan 8.230 nan 0.000 0.458 266 L N -0.361 120.862 121.223 0.000 0.000 2.302 266 L HA -0.290 4.323 4.340 0.454 0.000 0.218 266 L C 2.455 179.358 176.870 0.055 0.000 1.100 266 L CA 1.715 56.581 54.840 0.044 0.000 0.774 266 L CB -0.778 41.336 42.059 0.093 0.000 0.896 266 L HN 0.655 nan 8.230 nan 0.000 0.439 267 H N -1.572 117.496 119.070 -0.003 0.000 2.315 267 H HA -0.018 4.811 4.556 0.454 0.000 0.318 267 H C 2.292 177.629 175.328 0.016 0.000 1.068 267 H CA 1.219 57.275 56.048 0.013 0.000 1.465 267 H CB 0.134 29.911 29.762 0.024 0.000 1.475 267 H HN 0.311 nan 8.280 nan 0.000 0.597 268 S N 0.006 115.781 115.700 0.124 0.000 2.488 268 S HA -0.064 4.679 4.470 0.454 0.000 0.246 268 S C 1.743 176.355 174.600 0.020 0.000 0.992 268 S CA 1.294 59.535 58.200 0.069 0.000 0.963 268 S CB -0.295 62.947 63.200 0.071 0.000 0.754 268 S HN 0.784 nan 8.310 nan 0.000 0.519 269 G N -0.077 108.724 108.800 0.002 0.000 2.234 269 G HA2 -0.222 4.011 3.960 0.454 0.000 0.235 269 G HA3 -0.222 4.011 3.960 0.454 0.000 0.235 269 G C -0.059 174.839 174.900 -0.003 0.000 0.997 269 G CA 0.042 45.133 45.100 -0.016 0.000 0.623 269 G HN 0.510 nan 8.290 nan 0.000 0.514 270 L N 1.830 123.057 121.223 0.006 0.000 2.473 270 L HA 0.475 5.088 4.340 0.454 0.000 0.268 270 L C 1.151 178.039 176.870 0.031 0.000 1.215 270 L CA 0.691 55.545 54.840 0.023 0.000 0.823 270 L CB 0.511 42.588 42.059 0.030 0.000 1.099 270 L HN 0.111 nan 8.230 nan 0.000 0.483 271 T N 3.094 117.703 114.554 0.092 0.000 2.749 271 T HA 0.271 4.894 4.350 0.454 0.000 0.295 271 T C -2.334 172.487 174.700 0.202 0.000 0.936 271 T CA -0.965 61.203 62.100 0.113 0.000 1.060 271 T CB 0.796 69.745 68.868 0.134 0.000 0.904 271 T HN 0.315 nan 8.240 nan 0.000 0.500 272 P HA 0.061 nan 4.420 nan 0.000 0.263 272 P C -0.397 177.001 177.300 0.165 0.000 1.195 272 P CA 0.132 63.298 63.100 0.111 0.000 0.762 272 P CB 0.246 31.947 31.700 0.001 0.000 0.799 273 H N 3.376 122.567 119.070 0.202 0.000 2.587 273 H HA 0.443 5.272 4.556 0.455 0.000 0.325 273 H C -0.276 175.098 175.328 0.077 0.000 1.012 273 H CA -0.547 55.568 56.048 0.111 0.000 1.213 273 H CB 1.209 31.014 29.762 0.073 0.000 1.431 273 H HN 0.268 nan 8.280 nan 0.000 0.492 274 L N 2.237 123.513 121.223 0.088 0.000 2.409 274 L HA 0.376 4.989 4.340 0.454 0.000 0.262 274 L C -0.247 176.604 176.870 -0.031 0.000 0.992 274 L CA -0.765 54.080 54.840 0.007 0.000 0.817 274 L CB 2.685 44.750 42.059 0.010 0.000 1.350 274 L HN 0.505 nan 8.230 nan 0.000 0.411 275 T N 2.405 116.914 114.554 -0.076 0.000 2.792 275 T HA 0.428 5.051 4.350 0.454 0.000 0.280 275 T C 0.051 174.696 174.700 -0.092 0.000 0.990 275 T CA -0.654 61.401 62.100 -0.075 0.000 0.960 275 T CB 1.376 70.220 68.868 -0.039 0.000 0.939 275 T HN 0.299 nan 8.240 nan 0.000 0.439 276 M N 3.827 123.293 119.600 -0.224 0.000 2.356 276 M HA 0.127 4.879 4.480 0.454 0.000 0.348 276 M C -0.497 175.882 176.300 0.132 0.000 1.595 276 M CA 0.184 55.352 55.300 -0.220 0.000 1.095 276 M CB -0.422 31.586 32.600 -0.987 0.000 1.963 276 M HN 0.325 nan 8.290 nan 0.000 0.459 277 V N 4.114 124.205 119.914 0.294 0.000 2.409 277 V HA 0.228 4.621 4.120 0.454 0.000 0.291 277 V C -0.001 176.158 176.094 0.109 0.000 1.020 277 V CA -0.896 61.554 62.300 0.249 0.000 0.848 277 V CB 1.292 33.263 31.823 0.246 0.000 0.990 277 V HN 0.776 nan 8.190 nan 0.000 0.430 278 H N 3.108 122.053 119.070 -0.209 0.000 2.679 278 H HA 0.172 5.000 4.556 0.454 0.000 0.369 278 H C 1.594 176.517 175.328 -0.675 0.000 1.178 278 H CA 0.758 56.342 56.048 -0.772 0.000 1.419 278 H CB 1.535 30.929 29.762 -0.613 0.000 1.458 278 H HN 0.750 nan 8.280 nan 0.000 0.605 279 S N 1.060 115.790 115.700 -1.617 0.000 2.382 279 S HA -0.235 4.508 4.470 0.454 0.000 0.228 279 S C 2.220 176.358 174.600 -0.770 0.000 1.027 279 S CA 1.184 58.436 58.200 -1.581 0.000 0.991 279 S CB -0.789 61.121 63.200 -2.149 0.000 0.823 279 S HN 0.697 nan 8.310 nan 0.000 0.469 280 S N 1.940 117.435 115.700 -0.341 0.000 2.382 280 S HA -0.136 4.607 4.470 0.454 0.000 0.228 280 S C 2.046 176.572 174.600 -0.124 0.000 1.027 280 S CA 1.346 59.475 58.200 -0.117 0.000 0.991 280 S CB -1.089 62.135 63.200 0.040 0.000 0.823 280 S HN 0.646 nan 8.310 nan 0.000 0.469 281 S N 1.709 117.349 115.700 -0.100 0.000 2.355 281 S HA -0.000 4.742 4.470 0.454 0.000 0.222 281 S C 1.841 176.398 174.600 -0.071 0.000 1.031 281 S CA 1.115 59.280 58.200 -0.058 0.000 0.993 281 S CB -0.672 62.527 63.200 -0.002 0.000 0.859 281 S HN 0.591 nan 8.310 nan 0.000 0.453 282 I N 1.160 121.659 120.570 -0.117 0.000 2.202 282 I HA -0.129 4.313 4.170 0.454 0.000 0.242 282 I C 2.330 178.369 176.117 -0.131 0.000 1.091 282 I CA 1.049 62.325 61.300 -0.040 0.000 1.368 282 I CB -0.331 37.683 38.000 0.024 0.000 1.058 282 I HN 0.299 nan 8.210 nan 0.000 0.410 283 L N 0.431 121.543 121.223 -0.185 0.000 2.127 283 L HA -0.239 4.373 4.340 0.454 0.000 0.211 283 L C 2.825 179.532 176.870 -0.271 0.000 1.089 283 L CA 1.215 55.914 54.840 -0.236 0.000 0.757 283 L CB -0.714 41.239 42.059 -0.177 0.000 0.899 283 L HN 0.272 nan 8.230 nan 0.000 0.434 284 A N -0.001 122.704 122.820 -0.193 0.000 1.892 284 A HA -0.286 4.307 4.320 0.454 0.000 0.218 284 A C 2.301 179.761 177.584 -0.206 0.000 1.188 284 A CA 2.127 54.066 52.037 -0.164 0.000 0.631 284 A CB -0.503 18.438 19.000 -0.098 0.000 0.822 284 A HN 0.366 nan 8.150 nan 0.000 0.447 285 M N -1.473 118.006 119.600 -0.201 0.000 2.080 285 M HA -0.179 4.574 4.480 0.454 0.000 0.260 285 M C 2.424 178.390 176.300 -0.558 0.000 1.068 285 M CA 2.090 57.258 55.300 -0.221 0.000 1.109 285 M CB -0.419 32.181 32.600 0.000 0.000 1.342 285 M HN 0.514 nan 8.290 nan 0.000 0.405 286 R N 0.734 120.627 120.500 -1.012 0.000 2.096 286 R HA -0.209 4.403 4.340 0.454 0.000 0.240 286 R C 1.533 177.337 176.300 -0.827 0.000 1.139 286 R CA 2.308 57.436 56.100 -1.621 0.000 0.952 286 R CB -0.330 29.097 30.300 -1.456 0.000 0.854 286 R HN 0.307 nan 8.270 nan 0.000 0.436 287 D N 0.674 120.766 120.400 -0.515 0.000 2.103 287 D HA -0.224 4.688 4.640 0.454 0.000 0.190 287 D C 1.668 177.813 176.300 -0.259 0.000 0.997 287 D CA 1.941 55.750 54.000 -0.318 0.000 0.833 287 D CB -0.490 40.174 40.800 -0.226 0.000 0.961 287 D HN 0.584 nan 8.370 nan 0.000 0.447 288 E N 0.525 120.584 120.200 -0.235 0.000 2.455 288 E HA -0.212 4.411 4.350 0.454 0.000 0.202 288 E C 1.021 177.524 176.600 -0.162 0.000 1.045 288 E CA 0.785 57.094 56.400 -0.152 0.000 0.872 288 E CB -0.350 29.294 29.700 -0.093 0.000 0.792 288 E HN 0.455 nan 8.360 nan 0.000 0.542 289 Q N 1.202 120.836 119.800 -0.276 0.000 2.247 289 Q HA 0.085 4.698 4.340 0.454 0.000 0.211 289 Q C 0.479 176.426 176.000 -0.088 0.000 0.861 289 Q CA 0.122 55.784 55.803 -0.234 0.000 0.949 289 Q CB 0.988 29.523 28.738 -0.338 0.000 1.115 289 Q HN 0.260 nan 8.270 nan 0.000 0.507 290 S N 0.463 116.089 115.700 -0.123 0.000 2.560 290 S HA 0.017 4.759 4.470 0.454 0.000 0.276 290 S C 0.184 174.761 174.600 -0.037 0.000 1.350 290 S CA -0.221 57.924 58.200 -0.091 0.000 1.024 290 S CB 0.740 63.878 63.200 -0.103 0.000 0.864 290 S HN 0.207 nan 8.310 nan 0.000 0.536 317 W N 0.917 122.121 121.300 -0.160 0.000 2.421 317 W HA 0.036 4.968 4.660 0.454 0.000 0.270 317 W C 1.402 177.836 176.519 -0.141 0.000 1.233 317 W CA 1.408 58.612 57.345 -0.235 0.000 1.226 317 W CB -1.523 27.839 29.460 -0.163 0.000 1.121 317 W HN 0.497 nan 8.180 nan 0.000 0.579 318 S N 1.885 117.295 115.700 -0.484 0.000 2.356 318 S HA -0.113 4.630 4.470 0.454 0.000 0.223 318 S C 1.258 175.603 174.600 -0.426 0.000 1.032 318 S CA 1.152 58.966 58.200 -0.643 0.000 1.005 318 S CB -0.776 62.297 63.200 -0.211 0.000 0.867 318 S HN 0.216 nan 8.310 nan 0.000 0.449 319 L N 2.381 123.468 121.223 -0.226 0.000 2.565 319 L HA 0.180 4.793 4.340 0.454 0.000 0.275 319 L C 1.176 177.964 176.870 -0.136 0.000 1.137 319 L CA 0.062 54.822 54.840 -0.134 0.000 0.915 319 L CB -0.038 41.991 42.059 -0.050 0.000 1.232 319 L HN 0.171 nan 8.230 nan 0.000 0.473 320 E N 1.475 121.592 120.200 -0.138 0.000 2.340 320 E HA -0.041 4.582 4.350 0.454 0.000 0.194 320 E C 0.691 177.266 176.600 -0.042 0.000 0.996 320 E CA -0.115 56.221 56.400 -0.108 0.000 0.869 320 E CB 0.379 30.000 29.700 -0.131 0.000 0.835 320 E HN 0.695 nan 8.360 nan 0.000 0.493 321 Q N 1.919 121.702 119.800 -0.029 0.000 2.432 321 Q HA 0.093 4.705 4.340 0.454 0.000 0.264 321 Q C -2.523 173.500 176.000 0.038 0.000 1.035 321 Q CA -1.596 54.205 55.803 -0.002 0.000 0.908 321 Q CB -0.305 28.427 28.738 -0.010 0.000 1.280 321 Q HN -0.172 nan 8.270 nan 0.000 0.455 322 P HA 0.098 nan 4.420 nan 0.000 0.272 322 P C -0.803 176.588 177.300 0.153 0.000 1.223 322 P CA -0.323 62.840 63.100 0.105 0.000 0.784 322 P CB 0.219 31.967 31.700 0.080 0.000 0.923 323 F N 2.023 122.030 119.950 0.094 0.000 2.418 323 F HA 0.428 5.227 4.527 0.454 0.000 0.341 323 F C 0.240 176.179 175.800 0.232 0.000 1.120 323 F CA 0.916 58.988 58.000 0.120 0.000 1.232 323 F CB 0.612 39.659 39.000 0.077 0.000 1.175 323 F HN 0.476 nan 8.300 nan 0.000 0.569 324 S N 5.690 120.987 115.700 -0.672 0.000 2.578 324 S HA 0.701 5.444 4.470 0.454 0.000 0.272 324 S C -1.070 173.226 174.600 -0.506 0.000 1.145 324 S CA -0.778 57.248 58.200 -0.289 0.000 0.835 324 S CB 1.129 64.240 63.200 -0.148 0.000 1.104 324 S HN 1.015 nan 8.310 nan 0.000 0.458 325 I N -1.657 118.847 120.570 -0.110 0.000 3.145 325 I HA 0.790 5.233 4.170 0.454 0.000 0.313 325 I C -0.712 175.427 176.117 0.036 0.000 1.122 325 I CA -0.967 60.319 61.300 -0.022 0.000 0.987 325 I CB 2.060 40.166 38.000 0.177 0.000 1.236 325 I HN 0.823 nan 8.210 nan 0.000 0.453 326 E N 2.559 122.806 120.200 0.078 0.000 2.134 326 E HA 0.401 5.024 4.350 0.454 0.000 0.278 326 E C -1.477 175.166 176.600 0.071 0.000 0.959 326 E CA -0.910 55.532 56.400 0.069 0.000 0.783 326 E CB 1.691 31.432 29.700 0.069 0.000 1.095 326 E HN 0.631 nan 8.360 nan 0.000 0.399 327 L N 6.374 127.613 121.223 0.026 0.000 2.261 327 L HA 0.311 4.923 4.340 0.454 0.000 0.289 327 L C -0.183 176.747 176.870 0.100 0.000 1.059 327 L CA 0.352 55.178 54.840 -0.024 0.000 0.816 327 L CB 0.551 42.494 42.059 -0.194 0.000 1.191 327 L HN 0.753 nan 8.230 nan 0.000 0.431 328 I N 3.222 123.860 120.570 0.113 0.000 2.522 328 I HA 0.191 4.634 4.170 0.454 0.000 0.240 328 I C 0.306 176.551 176.117 0.213 0.000 1.078 328 I CA 0.464 61.847 61.300 0.139 0.000 1.422 328 I CB 0.086 38.134 38.000 0.080 0.000 1.188 328 I HN 0.765 nan 8.210 nan 0.000 0.442 329 E N -0.677 119.651 120.200 0.213 0.000 2.432 329 E HA 0.633 5.255 4.350 0.454 0.000 0.279 329 E C -0.785 175.915 176.600 0.166 0.000 1.099 329 E CA -1.028 55.470 56.400 0.162 0.000 0.859 329 E CB 1.066 30.769 29.700 0.005 0.000 1.402 329 E HN 0.087 nan 8.360 nan 0.000 0.451 330 G N -0.415 108.428 108.800 0.071 0.000 3.086 330 G HA2 0.700 4.932 3.960 0.454 0.000 0.282 330 G HA3 0.700 4.932 3.960 0.454 0.000 0.282 330 G C -1.153 173.729 174.900 -0.030 0.000 1.343 330 G CA -1.168 43.962 45.100 0.049 0.000 0.895 330 G HN 0.504 nan 8.290 nan 0.000 0.557 331 R N 0.086 120.567 120.500 -0.032 0.000 2.568 331 R HA 0.281 4.894 4.340 0.454 0.000 0.232 331 R C -0.868 175.418 176.300 -0.024 0.000 1.412 331 R CA -0.729 55.348 56.100 -0.037 0.000 1.492 331 R CB 0.508 30.784 30.300 -0.041 0.000 1.441 331 R HN 0.450 nan 8.270 nan 0.000 0.768 332 K N -0.561 119.830 120.400 -0.016 0.000 2.208 332 K HA 0.704 5.297 4.320 0.454 0.000 0.240 332 K C -0.564 176.038 176.600 0.003 0.000 1.088 332 K CA -1.204 55.082 56.287 -0.001 0.000 0.902 332 K CB 0.889 33.400 32.500 0.017 0.000 1.355 332 K HN -0.047 nan 8.250 nan 0.000 0.526 333 V N 0.423 120.347 119.914 0.016 0.000 2.567 333 V HA 0.509 4.901 4.120 0.454 0.000 0.298 333 V C -1.245 174.868 176.094 0.032 0.000 1.047 333 V CA -0.411 61.900 62.300 0.019 0.000 0.880 333 V CB 0.925 32.759 31.823 0.017 0.000 1.009 333 V HN 0.867 nan 8.190 nan 0.000 0.429 334 N N 1.904 120.622 118.700 0.029 0.000 3.378 334 N HA 0.842 5.854 4.740 0.454 0.000 0.294 334 N C -0.638 174.890 175.510 0.030 0.000 1.544 334 N CA 0.026 53.100 53.050 0.039 0.000 0.872 334 N CB 1.674 40.195 38.487 0.057 0.000 1.670 334 N HN 0.769 nan 8.380 nan 0.000 0.551 340 K N 2.188 122.626 120.400 0.064 0.000 2.270 340 K HA 0.770 5.362 4.320 0.454 0.000 0.255 340 K C -1.007 175.654 176.600 0.102 0.000 0.936 340 K CA -0.372 55.956 56.287 0.069 0.000 0.809 340 K CB 1.828 34.371 32.500 0.073 0.000 1.131 340 K HN 0.545 nan 8.250 nan 0.000 0.427 341 L N 2.056 123.337 121.223 0.096 0.000 2.418 341 L HA 0.550 5.162 4.340 0.454 0.000 0.265 341 L C -0.416 176.567 176.870 0.188 0.000 1.143 341 L CA -0.747 54.179 54.840 0.143 0.000 0.809 341 L CB 0.879 43.028 42.059 0.150 0.000 1.124 341 L HN 0.221 nan 8.230 nan 0.000 0.456 342 V N 2.052 122.010 119.914 0.073 0.000 3.012 342 V HA 0.380 4.772 4.120 0.454 0.000 0.307 342 V C -0.749 175.105 176.094 -0.400 0.000 1.166 342 V CA -0.655 61.595 62.300 -0.083 0.000 0.974 342 V CB 2.514 34.286 31.823 -0.086 0.000 1.040 342 V HN 0.349 nan 8.190 nan 0.000 0.428 343 V N 3.514 123.194 119.914 -0.390 0.000 2.325 343 V HA 0.418 4.810 4.120 0.454 0.000 0.280 343 V C -0.108 175.856 176.094 -0.217 0.000 1.016 343 V CA -0.351 61.692 62.300 -0.428 0.000 0.818 343 V CB 1.320 32.722 31.823 -0.701 0.000 1.019 343 V HN 0.923 nan 8.190 nan 0.000 0.434 344 Q N 2.966 122.706 119.800 -0.101 0.000 2.227 344 Q HA 0.827 5.440 4.340 0.454 0.000 0.245 344 Q C -0.574 175.561 176.000 0.225 0.000 0.926 344 Q CA -0.356 55.519 55.803 0.120 0.000 0.895 344 Q CB 2.069 30.981 28.738 0.291 0.000 1.230 344 Q HN 0.870 nan 8.270 nan 0.000 0.450 345 A N 1.224 124.187 122.820 0.239 0.000 2.589 345 A HA 0.794 5.387 4.320 0.454 0.000 0.296 345 A C -1.085 176.672 177.584 0.289 0.000 1.062 345 A CA -0.025 52.154 52.037 0.236 0.000 0.686 345 A CB 1.850 21.014 19.000 0.274 0.000 1.282 345 A HN 0.764 nan 8.150 nan 0.000 0.404 346 G N 0.030 108.923 108.800 0.155 0.000 2.660 346 G HA2 0.598 4.830 3.960 0.454 0.000 0.294 346 G HA3 0.598 4.830 3.960 0.454 0.000 0.294 346 G C -1.406 173.359 174.900 -0.225 0.000 1.369 346 G CA -0.668 44.442 45.100 0.017 0.000 0.912 346 G HN 0.710 nan 8.290 nan 0.000 0.479 347 L N 0.796 121.758 121.223 -0.435 0.000 2.275 347 L HA 0.543 5.156 4.340 0.454 0.000 0.288 347 L C -0.862 175.751 176.870 -0.429 0.000 1.046 347 L CA -0.505 54.092 54.840 -0.405 0.000 0.805 347 L CB 1.131 42.910 42.059 -0.467 0.000 1.193 347 L HN 0.346 nan 8.230 nan 0.000 0.426 348 F N 0.715 120.583 119.950 -0.137 0.000 2.538 348 F HA 0.355 5.155 4.527 0.455 0.000 0.325 348 F C 0.077 175.828 175.800 -0.082 0.000 1.066 348 F CA -0.639 57.302 58.000 -0.098 0.000 0.946 348 F CB 1.564 40.508 39.000 -0.093 0.000 1.199 348 F HN 0.393 nan 8.300 nan 0.000 0.473 349 H N 1.147 120.185 119.070 -0.053 0.000 2.716 349 H HA 0.516 5.344 4.556 0.455 0.000 0.260 349 H C 0.223 175.293 175.328 -0.429 0.000 1.280 349 H CA 0.277 56.185 56.048 -0.233 0.000 1.506 349 H CB 0.198 29.824 29.762 -0.227 0.000 1.514 349 H HN 0.801 nan 8.280 nan 0.000 0.502 350 G N 3.751 112.098 108.800 -0.754 0.000 2.552 350 G HA2 -0.385 3.847 3.960 0.454 0.000 0.267 350 G HA3 -0.385 3.847 3.960 0.454 0.000 0.267 350 G C 0.661 175.181 174.900 -0.633 0.000 1.174 350 G CA 0.318 44.688 45.100 -1.217 0.000 0.955 350 G HN 0.547 nan 8.290 nan 0.000 0.546 351 N N 1.554 120.021 118.700 -0.388 0.000 2.409 351 N HA 0.165 5.178 4.740 0.454 0.000 0.174 351 N C 0.574 176.175 175.510 0.152 0.000 1.037 351 N CA 0.851 53.863 53.050 -0.062 0.000 0.898 351 N CB 0.082 38.515 38.487 -0.090 0.000 1.010 351 N HN 0.537 nan 8.380 nan 0.000 0.445 352 E N 1.126 121.342 120.200 0.027 0.000 2.324 352 E HA 0.153 4.775 4.350 0.454 0.000 0.271 352 E C 0.134 176.731 176.600 -0.005 0.000 1.028 352 E CA 0.074 56.494 56.400 0.033 0.000 0.890 352 E CB 0.518 30.212 29.700 -0.010 0.000 1.004 352 E HN 0.164 nan 8.360 nan 0.000 0.431 353 M N 3.650 123.142 119.600 -0.179 0.000 2.238 353 M HA 0.090 4.842 4.480 0.454 0.000 0.347 353 M C 0.746 176.901 176.300 -0.243 0.000 1.173 353 M CA 0.048 55.054 55.300 -0.489 0.000 1.147 353 M CB 0.541 32.849 32.600 -0.486 0.000 1.547 353 M HN 0.452 nan 8.290 nan 0.000 0.455 354 L N 2.168 123.240 121.223 -0.251 0.000 2.591 354 L HA 0.135 4.748 4.340 0.454 0.000 0.228 354 L C 0.122 176.940 176.870 -0.085 0.000 1.133 354 L CA -0.181 54.585 54.840 -0.124 0.000 0.880 354 L CB -0.350 41.642 42.059 -0.112 0.000 1.033 354 L HN 0.996 nan 8.230 nan 0.000 0.450 355 C N -3.683 115.556 119.300 -0.101 0.000 2.849 355 C HA 0.168 4.901 4.460 0.454 0.000 0.321 355 C C -0.517 174.456 174.990 -0.030 0.000 1.245 355 C CA -2.172 56.827 59.018 -0.031 0.000 1.176 355 C CB 0.531 28.294 27.740 0.037 0.000 1.317 355 C HN 0.379 nan 8.230 nan 0.000 0.479 356 K N 1.102 121.503 120.400 0.002 0.000 2.561 356 K HA 0.397 4.989 4.320 0.454 0.000 0.280 356 K C 0.382 177.011 176.600 0.049 0.000 0.975 356 K CA 1.232 57.523 56.287 0.007 0.000 1.024 356 K CB 0.173 32.679 32.500 0.010 0.000 0.883 356 K HN 1.220 nan 8.250 nan 0.000 0.496 357 T N -0.307 114.273 114.554 0.043 0.000 2.918 357 T HA 0.338 4.960 4.350 0.454 0.000 0.302 357 T C 0.535 175.273 174.700 0.063 0.000 1.045 357 T CA -0.591 61.573 62.100 0.107 0.000 1.114 357 T CB 1.045 69.985 68.868 0.120 0.000 0.965 357 T HN 0.628 nan 8.240 nan 0.000 0.540 358 V N -0.449 119.487 119.914 0.036 0.000 3.177 358 V HA 0.952 5.344 4.120 0.454 0.000 0.319 358 V C -0.199 175.882 176.094 -0.023 0.000 1.125 358 V CA -0.870 61.372 62.300 -0.096 0.000 1.029 358 V CB 1.697 33.287 31.823 -0.388 0.000 1.119 358 V HN 1.079 nan 8.190 nan 0.000 0.452 359 S N -0.293 115.377 115.700 -0.050 0.000 2.651 359 S HA 0.670 5.413 4.470 0.454 0.000 0.279 359 S C -0.393 174.164 174.600 -0.071 0.000 1.148 359 S CA -0.508 57.680 58.200 -0.021 0.000 0.837 359 S CB 1.992 65.214 63.200 0.037 0.000 1.138 359 S HN 1.007 nan 8.310 nan 0.000 0.478 360 S N 1.688 117.324 115.700 -0.107 0.000 2.645 360 S HA 0.497 5.240 4.470 0.454 0.000 0.266 360 S C 0.109 174.724 174.600 0.024 0.000 1.258 360 S CA -0.654 57.465 58.200 -0.134 0.000 0.990 360 S CB 0.720 63.708 63.200 -0.354 0.000 0.967 360 S HN 0.787 nan 8.310 nan 0.000 0.556 361 S N 1.144 116.913 115.700 0.114 0.000 2.565 361 S HA 0.265 5.007 4.470 0.454 0.000 0.274 361 S C -0.343 174.395 174.600 0.229 0.000 1.309 361 S CA -0.822 57.470 58.200 0.152 0.000 1.043 361 S CB 0.242 63.529 63.200 0.145 0.000 0.939 361 S HN 0.636 nan 8.310 nan 0.000 0.504 362 E N 1.716 122.007 120.200 0.151 0.000 2.498 362 E HA 0.167 4.789 4.350 0.454 0.000 0.252 362 E C -0.443 176.216 176.600 0.098 0.000 1.025 362 E CA 0.023 56.505 56.400 0.137 0.000 0.938 362 E CB 0.364 30.121 29.700 0.094 0.000 0.947 362 E HN 0.417 nan 8.360 nan 0.000 0.478 363 V N 3.200 123.162 119.914 0.080 0.000 3.096 363 V HA 0.164 4.556 4.120 0.454 0.000 0.319 363 V C 0.220 176.282 176.094 -0.054 0.000 1.103 363 V CA -1.190 61.075 62.300 -0.057 0.000 1.016 363 V CB 1.950 33.600 31.823 -0.289 0.000 1.090 363 V HN 0.597 nan 8.190 nan 0.000 0.449 364 N N 0.782 119.429 118.700 -0.088 0.000 2.492 364 N HA 0.105 5.117 4.740 0.454 0.000 0.262 364 N C -0.272 175.194 175.510 -0.075 0.000 1.202 364 N CA -0.107 52.904 53.050 -0.065 0.000 0.926 364 N CB 1.032 39.478 38.487 -0.069 0.000 1.078 364 N HN 0.402 nan 8.380 nan 0.000 0.454 365 V N 2.617 122.512 119.914 -0.032 0.000 2.415 365 V HA -0.045 4.347 4.120 0.454 0.000 0.252 365 V C 0.378 176.447 176.094 -0.043 0.000 1.043 365 V CA 0.179 62.465 62.300 -0.024 0.000 1.149 365 V CB -1.075 30.753 31.823 0.009 0.000 1.143 365 V HN 0.736 nan 8.190 nan 0.000 0.478 366 C N 4.832 124.087 119.300 -0.075 0.000 3.050 366 C HA 0.585 5.317 4.460 0.454 0.000 0.416 366 C C 0.259 175.183 174.990 -0.110 0.000 0.994 366 C CA 0.266 59.234 59.018 -0.084 0.000 1.222 366 C CB 0.185 27.869 27.740 -0.094 0.000 1.612 366 C HN 1.077 nan 8.230 nan 0.000 0.550 367 S N 2.530 118.182 115.700 -0.081 0.000 3.886 367 S HA -0.091 4.652 4.470 0.454 0.000 0.631 367 S C 0.221 174.778 174.600 -0.071 0.000 2.088 367 S CA 1.300 59.451 58.200 -0.082 0.000 3.080 367 S CB -1.182 61.952 63.200 -0.110 0.000 0.293 367 S HN 2.336 nan 8.310 nan 0.000 1.168 368 E N 0.598 120.753 120.200 -0.075 0.000 2.957 368 E HA -0.140 4.483 4.350 0.454 0.000 0.287 368 E C -2.250 174.261 176.600 -0.149 0.000 0.976 368 E CA 1.198 57.544 56.400 -0.089 0.000 0.907 368 E CB -1.257 28.402 29.700 -0.068 0.000 1.456 368 E HN 0.450 nan 8.360 nan 0.000 0.421 369 P HA 0.103 nan 4.420 nan 0.000 0.269 369 P C -0.142 176.874 177.300 -0.472 0.000 1.215 369 P CA -0.054 62.793 63.100 -0.421 0.000 0.780 369 P CB 1.156 32.466 31.700 -0.649 0.000 0.898 370 V N 2.154 121.763 119.914 -0.508 0.000 2.815 370 V HA 0.381 4.774 4.120 0.454 0.000 0.314 370 V C 0.477 176.300 176.094 -0.450 0.000 1.064 370 V CA -0.320 61.781 62.300 -0.333 0.000 0.952 370 V CB 2.400 34.119 31.823 -0.173 0.000 1.020 370 V HN 0.746 nan 8.190 nan 0.000 0.439 371 W N -0.065 121.210 121.300 -0.043 0.000 4.545 371 W HA 0.227 5.159 4.660 0.454 0.000 0.198 371 W C 0.694 177.192 176.519 -0.035 0.000 1.012 371 W CA -0.210 57.112 57.345 -0.038 0.000 1.903 371 W CB 0.160 29.595 29.460 -0.043 0.000 0.746 371 W HN 0.584 nan 8.180 nan 0.000 0.948 372 K N 1.618 122.139 120.400 0.202 0.000 3.177 372 K HA -0.235 4.357 4.320 0.454 0.000 0.266 372 K C -0.152 176.495 176.600 0.078 0.000 0.937 372 K CA 0.637 56.982 56.287 0.096 0.000 0.702 372 K CB -1.418 31.105 32.500 0.038 0.000 1.365 372 K HN 0.286 nan 8.250 nan 0.000 0.466 373 Q N 0.885 120.742 119.800 0.095 0.000 2.293 373 Q HA 0.285 4.897 4.340 0.454 0.000 0.261 373 Q C -0.129 175.875 176.000 0.006 0.000 0.960 373 Q CA -1.099 54.733 55.803 0.048 0.000 0.882 373 Q CB 1.506 30.274 28.738 0.051 0.000 1.275 373 Q HN 0.056 nan 8.270 nan 0.000 0.445 374 R N 2.418 122.910 120.500 -0.014 0.000 2.421 374 R HA 0.194 4.806 4.340 0.454 0.000 0.305 374 R C -0.531 175.731 176.300 -0.064 0.000 1.039 374 R CA 0.192 56.270 56.100 -0.036 0.000 1.003 374 R CB -0.163 30.110 30.300 -0.045 0.000 0.959 374 R HN 0.505 nan 8.270 nan 0.000 0.427 375 L N 3.018 124.197 121.223 -0.072 0.000 2.280 375 L HA 0.367 4.980 4.340 0.454 0.000 0.287 375 L C 0.424 177.153 176.870 -0.235 0.000 1.023 375 L CA -0.409 54.329 54.840 -0.169 0.000 0.819 375 L CB 1.461 43.436 42.059 -0.141 0.000 1.212 375 L HN 0.430 nan 8.230 nan 0.000 0.420 376 E N 2.698 122.723 120.200 -0.292 0.000 2.166 376 E HA 0.495 5.118 4.350 0.454 0.000 0.275 376 E C -1.431 174.985 176.600 -0.306 0.000 0.941 376 E CA -0.627 55.655 56.400 -0.197 0.000 0.784 376 E CB 1.287 30.927 29.700 -0.099 0.000 1.115 376 E HN 0.266 nan 8.360 nan 0.000 0.399 377 F N 2.071 122.073 119.950 0.086 0.000 2.421 377 F HA 0.151 4.950 4.527 0.454 0.000 0.337 377 F C 0.892 176.740 175.800 0.080 0.000 1.105 377 F CA -0.762 57.305 58.000 0.111 0.000 1.049 377 F CB 1.235 40.363 39.000 0.214 0.000 1.139 377 F HN 0.394 nan 8.300 nan 0.000 0.479 378 D N 4.425 124.955 120.400 0.216 0.000 2.848 378 D HA 0.139 5.051 4.640 0.454 0.000 0.232 378 D C -0.673 175.696 176.300 0.115 0.000 1.107 378 D CA 0.608 54.678 54.000 0.117 0.000 1.020 378 D CB -0.474 40.367 40.800 0.069 0.000 1.148 378 D HN 0.477 nan 8.370 nan 0.000 0.453 379 I N -0.505 120.151 120.570 0.142 0.000 2.800 379 I HA 0.098 4.540 4.170 0.454 0.000 0.294 379 I C -1.326 174.869 176.117 0.131 0.000 1.538 379 I CA -0.564 60.801 61.300 0.109 0.000 1.010 379 I CB 1.881 39.929 38.000 0.080 0.000 1.381 379 I HN -0.089 nan 8.210 nan 0.000 0.462 380 S N 4.721 120.477 115.700 0.094 0.000 2.525 380 S HA 0.322 5.065 4.470 0.454 0.000 0.278 380 S C 1.049 175.704 174.600 0.091 0.000 1.234 380 S CA -0.376 57.874 58.200 0.084 0.000 1.058 380 S CB 1.754 64.979 63.200 0.041 0.000 0.983 380 S HN 0.544 nan 8.310 nan 0.000 0.495 381 V N 4.115 124.100 119.914 0.118 0.000 2.277 381 V HA -0.314 4.079 4.120 0.454 0.000 0.253 381 V C 2.859 178.997 176.094 0.072 0.000 1.067 381 V CA 2.588 64.966 62.300 0.130 0.000 1.047 381 V CB -1.584 30.331 31.823 0.153 0.000 0.649 381 V HN 1.156 nan 8.190 nan 0.000 0.447 382 C N -0.294 119.001 119.300 -0.009 0.000 2.401 382 C HA -0.170 4.563 4.460 0.454 0.000 0.286 382 C C 1.980 176.898 174.990 -0.121 0.000 1.332 382 C CA 0.895 59.842 59.018 -0.118 0.000 1.795 382 C CB -1.379 26.201 27.740 -0.267 0.000 1.922 382 C HN 0.610 nan 8.230 nan 0.000 0.520 383 D N 0.630 121.049 120.400 0.031 0.000 2.354 383 D HA 0.189 5.102 4.640 0.454 0.000 0.209 383 D C 0.800 177.198 176.300 0.163 0.000 1.015 383 D CA 0.103 54.190 54.000 0.146 0.000 0.867 383 D CB -0.185 40.705 40.800 0.149 0.000 0.933 383 D HN 0.553 nan 8.370 nan 0.000 0.520 384 L N 3.935 125.254 121.223 0.160 0.000 2.700 384 L HA 0.015 4.628 4.340 0.454 0.000 0.272 384 L C -1.892 175.205 176.870 0.378 0.000 1.176 384 L CA -0.829 54.140 54.840 0.215 0.000 0.961 384 L CB -0.254 41.933 42.059 0.213 0.000 1.249 384 L HN -0.173 nan 8.230 nan 0.000 0.487 385 P HA 0.082 nan 4.420 nan 0.000 0.274 385 P C 0.311 177.764 177.300 0.255 0.000 1.231 385 P CA -0.619 62.681 63.100 0.333 0.000 0.790 385 P CB 0.833 32.626 31.700 0.155 0.000 0.951 386 R N 2.399 122.814 120.500 -0.141 0.000 2.191 386 R HA -0.181 4.431 4.340 0.454 0.000 0.248 386 R C 1.607 177.843 176.300 -0.107 0.000 1.127 386 R CA 2.235 57.915 56.100 -0.700 0.000 0.943 386 R CB -0.946 28.742 30.300 -1.020 0.000 0.891 386 R HN 0.413 nan 8.270 nan 0.000 0.439 387 M N 0.556 120.180 119.600 0.040 0.000 2.652 387 M HA 0.288 5.041 4.480 0.454 0.000 0.226 387 M C -0.030 176.338 176.300 0.114 0.000 1.244 387 M CA -0.083 55.253 55.300 0.060 0.000 0.986 387 M CB -0.759 31.773 32.600 -0.113 0.000 1.666 387 M HN 0.199 nan 8.290 nan 0.000 0.460 388 A N 1.697 124.649 122.820 0.220 0.000 2.511 388 A HA 0.328 4.920 4.320 0.454 0.000 0.242 388 A C 0.363 177.979 177.584 0.052 0.000 1.069 388 A CA 0.054 52.176 52.037 0.141 0.000 0.763 388 A CB 0.238 19.312 19.000 0.123 0.000 1.001 388 A HN 0.595 nan 8.150 nan 0.000 0.498 389 R N 2.234 122.733 120.500 -0.003 0.000 2.476 389 R HA 0.482 5.094 4.340 0.454 0.000 0.305 389 R C -1.675 174.590 176.300 -0.058 0.000 0.965 389 R CA -0.733 55.362 56.100 -0.008 0.000 0.867 389 R CB 1.030 31.351 30.300 0.034 0.000 1.176 389 R HN 0.635 nan 8.270 nan 0.000 0.447 390 L N 5.487 126.638 121.223 -0.120 0.000 2.264 390 L HA 0.446 5.059 4.340 0.454 0.000 0.289 390 L C -1.394 175.316 176.870 -0.266 0.000 1.044 390 L CA -0.338 54.345 54.840 -0.262 0.000 0.807 390 L CB 1.063 42.949 42.059 -0.289 0.000 1.192 390 L HN 0.698 nan 8.230 nan 0.000 0.425 391 C N 5.792 124.921 119.300 -0.285 0.000 2.322 391 C HA 0.574 5.307 4.460 0.454 0.000 0.324 391 C C -0.348 174.536 174.990 -0.178 0.000 1.249 391 C CA -0.873 58.076 59.018 -0.115 0.000 1.453 391 C CB -0.163 27.628 27.740 0.085 0.000 2.145 391 C HN 0.633 nan 8.230 nan 0.000 0.466 392 F N 1.964 122.042 119.950 0.214 0.000 2.458 392 F HA 0.737 5.536 4.527 0.454 0.000 0.330 392 F C 0.578 176.513 175.800 0.226 0.000 1.082 392 F CA -0.381 57.726 58.000 0.179 0.000 0.995 392 F CB 1.185 40.251 39.000 0.111 0.000 1.170 392 F HN 0.662 nan 8.300 nan 0.000 0.478 393 A N 2.866 125.918 122.820 0.387 0.000 2.435 393 A HA 0.816 5.408 4.320 0.454 0.000 0.304 393 A C -1.959 175.698 177.584 0.121 0.000 1.064 393 A CA -0.690 51.546 52.037 0.332 0.000 0.727 393 A CB 1.670 20.911 19.000 0.402 0.000 1.284 393 A HN 0.856 nan 8.150 nan 0.000 0.415 394 L N 2.489 123.777 121.223 0.108 0.000 2.381 394 L HA 0.891 5.504 4.340 0.454 0.000 0.274 394 L C -1.460 175.442 176.870 0.053 0.000 0.988 394 L CA -0.588 54.209 54.840 -0.071 0.000 0.824 394 L CB 1.516 43.579 42.059 0.008 0.000 1.263 394 L HN 0.880 nan 8.230 nan 0.000 0.410 395 Y N 2.911 123.291 120.300 0.133 0.000 2.655 395 Y HA 0.915 5.737 4.550 0.454 0.000 0.336 395 Y C -0.804 175.163 175.900 0.113 0.000 1.154 395 Y CA -0.989 57.181 58.100 0.117 0.000 1.055 395 Y CB 0.864 39.388 38.460 0.106 0.000 1.295 395 Y HN 0.630 nan 8.280 nan 0.000 0.465 396 A N 0.806 123.829 122.820 0.338 0.000 2.311 396 A HA 0.919 5.512 4.320 0.454 0.000 0.334 396 A C -1.134 176.594 177.584 0.241 0.000 1.139 396 A CA -0.573 51.606 52.037 0.236 0.000 0.830 396 A CB 1.636 20.724 19.000 0.147 0.000 1.234 396 A HN 1.225 nan 8.150 nan 0.000 0.483 397 V N 0.283 120.304 119.914 0.180 0.000 3.130 397 V HA 0.625 5.018 4.120 0.454 0.000 0.308 397 V C -0.833 175.318 176.094 0.095 0.000 1.413 397 V CA -0.309 62.072 62.300 0.135 0.000 1.053 397 V CB 2.240 34.160 31.823 0.162 0.000 1.075 397 V HN 1.033 nan 8.190 nan 0.000 0.465 416 C N 5.167 124.478 119.300 0.017 0.000 3.171 416 C HA 0.494 5.226 4.460 0.454 0.000 0.336 416 C C -2.668 172.418 174.990 0.159 0.000 1.035 416 C CA -1.007 58.059 59.018 0.080 0.000 1.361 416 C CB 0.565 28.362 27.740 0.096 0.000 1.804 416 C HN 0.299 nan 8.230 nan 0.000 0.535 417 P HA 0.409 nan 4.420 nan 0.000 0.279 417 P C 0.129 177.557 177.300 0.213 0.000 1.239 417 P CA 0.099 63.336 63.100 0.229 0.000 0.789 417 P CB 1.457 33.259 31.700 0.170 0.000 0.933 418 I N 1.014 121.728 120.570 0.240 0.000 3.570 418 I HA 0.338 4.781 4.170 0.454 0.000 0.270 418 I C 0.959 177.186 176.117 0.184 0.000 1.162 418 I CA 0.487 61.896 61.300 0.180 0.000 1.413 418 I CB 0.269 38.358 38.000 0.148 0.000 1.437 418 I HN 0.403 nan 8.210 nan 0.000 0.457 419 A N -0.144 122.805 122.820 0.214 0.000 2.588 419 A HA 0.688 5.280 4.320 0.454 0.000 0.290 419 A C -2.120 175.661 177.584 0.327 0.000 1.136 419 A CA -0.521 51.633 52.037 0.195 0.000 0.681 419 A CB 1.087 20.119 19.000 0.055 0.000 1.282 419 A HN 0.295 nan 8.150 nan 0.000 0.421 420 W N -1.712 119.703 121.300 0.192 0.000 3.025 420 W HA 0.826 5.759 4.660 0.454 0.000 0.343 420 W C -0.888 175.799 176.519 0.281 0.000 1.246 420 W CA -0.667 56.805 57.345 0.211 0.000 1.178 420 W CB 1.191 30.753 29.460 0.169 0.000 1.463 420 W HN 1.867 nan 8.180 nan 0.000 0.578 421 A N 2.233 125.368 122.820 0.525 0.000 2.573 421 A HA 0.536 5.129 4.320 0.454 0.000 0.299 421 A C -1.810 176.084 177.584 0.518 0.000 1.060 421 A CA -0.774 51.469 52.037 0.343 0.000 0.736 421 A CB 1.261 20.363 19.000 0.171 0.000 1.280 421 A HN 0.582 nan 8.150 nan 0.000 0.401 422 N N 0.701 119.665 118.700 0.441 0.000 2.265 422 N HA 0.802 5.814 4.740 0.454 0.000 0.300 422 N C -1.268 174.371 175.510 0.215 0.000 1.148 422 N CA -0.471 52.758 53.050 0.297 0.000 0.772 422 N CB 2.207 40.839 38.487 0.241 0.000 1.434 422 N HN 0.822 nan 8.380 nan 0.000 0.481 423 L N -1.605 119.704 121.223 0.143 0.000 2.465 423 L HA 0.630 5.243 4.340 0.454 0.000 0.257 423 L C -0.438 176.464 176.870 0.052 0.000 0.988 423 L CA -0.958 53.946 54.840 0.107 0.000 0.827 423 L CB 0.338 42.481 42.059 0.141 0.000 1.397 423 L HN 0.286 nan 8.230 nan 0.000 0.410 424 M N 2.263 121.890 119.600 0.045 0.000 2.238 424 M HA 0.272 5.025 4.480 0.454 0.000 0.347 424 M C 1.146 177.503 176.300 0.094 0.000 1.173 424 M CA 0.115 55.454 55.300 0.066 0.000 1.147 424 M CB 0.773 33.414 32.600 0.068 0.000 1.547 424 M HN 0.751 nan 8.290 nan 0.000 0.455 425 L N 1.526 122.783 121.223 0.056 0.000 2.418 425 L HA 0.098 4.710 4.340 0.454 0.000 0.218 425 L C 0.065 176.805 176.870 -0.218 0.000 1.125 425 L CA 0.550 55.325 54.840 -0.108 0.000 0.835 425 L CB -0.045 41.836 42.059 -0.297 0.000 0.953 425 L HN 0.441 nan 8.230 nan 0.000 0.454 426 F N 0.188 120.227 119.950 0.147 0.000 2.450 426 F HA 0.232 5.032 4.527 0.454 0.000 0.332 426 F C 0.592 176.545 175.800 0.254 0.000 1.093 426 F CA -1.597 56.506 58.000 0.170 0.000 1.003 426 F CB 0.930 40.034 39.000 0.173 0.000 1.151 426 F HN -0.058 nan 8.300 nan 0.000 0.474 427 D N 1.069 121.672 120.400 0.339 0.000 2.447 427 D HA -0.041 4.871 4.640 0.454 0.000 0.265 427 D C 0.798 177.152 176.300 0.090 0.000 1.250 427 D CA -0.368 53.825 54.000 0.322 0.000 1.046 427 D CB -0.019 40.908 40.800 0.211 0.000 1.095 427 D HN 0.636 nan 8.370 nan 0.000 0.555 428 Y N -1.810 118.393 120.300 -0.162 0.000 2.616 428 Y HA 0.190 5.013 4.550 0.455 0.000 0.296 428 Y C 1.098 176.819 175.900 -0.299 0.000 1.154 428 Y CA 0.433 58.152 58.100 -0.634 0.000 1.325 428 Y CB -0.173 38.091 38.460 -0.328 0.000 1.007 428 Y HN 0.033 nan 8.280 nan 0.000 0.542 429 K N 0.781 120.857 120.400 -0.541 0.000 2.397 429 K HA 0.047 4.640 4.320 0.454 0.000 0.202 429 K C -0.239 176.371 176.600 0.017 0.000 1.022 429 K CA 0.647 56.721 56.287 -0.354 0.000 1.141 429 K CB -0.158 32.123 32.500 -0.365 0.000 0.857 429 K HN 0.478 nan 8.250 nan 0.000 0.514 430 D N 0.219 120.647 120.400 0.048 0.000 3.028 430 D HA -0.219 4.693 4.640 0.454 0.000 0.207 430 D C 0.214 176.811 176.300 0.495 0.000 1.100 430 D CA 0.839 54.976 54.000 0.228 0.000 0.995 430 D CB -0.889 40.024 40.800 0.188 0.000 1.108 430 D HN 0.381 nan 8.370 nan 0.000 0.421 431 Q N 0.603 120.606 119.800 0.338 0.000 2.288 431 Q HA 0.352 4.965 4.340 0.454 0.000 0.258 431 Q C 0.000 176.077 176.000 0.129 0.000 0.957 431 Q CA -0.640 55.172 55.803 0.015 0.000 0.919 431 Q CB 0.876 29.495 28.738 -0.198 0.000 1.185 431 Q HN 0.219 nan 8.270 nan 0.000 0.408 432 L N 3.868 125.102 121.223 0.019 0.000 2.482 432 L HA 0.140 4.753 4.340 0.454 0.000 0.273 432 L C -0.729 176.027 176.870 -0.190 0.000 1.228 432 L CA 0.865 55.499 54.840 -0.343 0.000 0.827 432 L CB 0.556 42.395 42.059 -0.367 0.000 1.099 432 L HN 0.578 nan 8.230 nan 0.000 0.494 433 K N 1.668 121.960 120.400 -0.181 0.000 2.221 433 K HA 0.649 5.242 4.320 0.454 0.000 0.258 433 K C -0.914 175.640 176.600 -0.076 0.000 0.944 433 K CA -0.524 55.712 56.287 -0.085 0.000 0.823 433 K CB 1.661 34.137 32.500 -0.040 0.000 1.113 433 K HN 0.820 nan 8.250 nan 0.000 0.431 434 T N -1.650 112.848 114.554 -0.093 0.000 2.885 434 T HA 0.527 5.150 4.350 0.454 0.000 0.322 434 T C 0.188 174.775 174.700 -0.190 0.000 1.387 434 T CA -0.692 61.317 62.100 -0.152 0.000 1.041 434 T CB 1.813 70.623 68.868 -0.097 0.000 1.287 434 T HN 0.553 nan 8.240 nan 0.000 0.491 435 G N 0.324 108.905 108.800 -0.365 0.000 2.682 435 G HA2 0.315 4.547 3.960 0.454 0.000 0.200 435 G HA3 0.315 4.547 3.960 0.454 0.000 0.200 435 G C 0.034 174.230 174.900 -1.173 0.000 1.179 435 G CA -0.187 44.383 45.100 -0.883 0.000 0.718 435 G HN 0.899 nan 8.290 nan 0.000 0.685 436 E N 0.524 120.173 120.200 -0.919 0.000 2.313 436 E HA 0.566 5.189 4.350 0.454 0.000 0.276 436 E C -0.781 175.730 176.600 -0.149 0.000 1.031 436 E CA -0.369 55.825 56.400 -0.344 0.000 0.857 436 E CB 0.737 30.451 29.700 0.024 0.000 1.040 436 E HN -0.005 nan 8.360 nan 0.000 0.408 437 R N 2.358 122.812 120.500 -0.076 0.000 2.574 437 R HA 0.318 4.931 4.340 0.454 0.000 0.288 437 R C -1.661 174.610 176.300 -0.048 0.000 1.004 437 R CA -0.470 55.609 56.100 -0.035 0.000 0.895 437 R CB 1.622 31.916 30.300 -0.009 0.000 1.191 437 R HN 0.537 nan 8.270 nan 0.000 0.444 438 C N 6.044 125.315 119.300 -0.048 0.000 2.273 438 C HA 0.604 5.337 4.460 0.454 0.000 0.328 438 C C -0.722 174.147 174.990 -0.201 0.000 1.275 438 C CA -0.674 58.250 59.018 -0.156 0.000 1.704 438 C CB -0.705 26.936 27.740 -0.164 0.000 2.326 438 C HN 0.706 nan 8.230 nan 0.000 0.517 439 L N 6.842 127.890 121.223 -0.292 0.000 2.287 439 L HA 0.410 5.023 4.340 0.454 0.000 0.287 439 L C -0.971 175.665 176.870 -0.391 0.000 1.022 439 L CA -0.483 54.230 54.840 -0.212 0.000 0.814 439 L CB 0.710 42.709 42.059 -0.100 0.000 1.217 439 L HN 0.617 nan 8.230 nan 0.000 0.420 440 Y N 3.525 123.709 120.300 -0.193 0.000 2.425 440 Y HA 0.378 5.201 4.550 0.455 0.000 0.347 440 Y C 0.601 176.210 175.900 -0.485 0.000 0.976 440 Y CA -0.337 57.585 58.100 -0.297 0.000 1.190 440 Y CB 0.922 39.199 38.460 -0.306 0.000 1.136 440 Y HN 0.481 nan 8.280 nan 0.000 0.517 441 M N 2.684 122.087 119.600 -0.328 0.000 2.288 441 M HA 0.248 5.001 4.480 0.454 0.000 0.334 441 M C -1.092 174.869 176.300 -0.565 0.000 1.150 441 M CA -0.402 54.656 55.300 -0.404 0.000 1.118 441 M CB 1.038 33.514 32.600 -0.206 0.000 1.501 441 M HN 0.575 nan 8.290 nan 0.000 0.462 442 W N 2.345 123.262 121.300 -0.638 0.000 2.433 442 W HA 0.421 5.353 4.660 0.454 0.000 0.315 442 W C -2.032 174.264 176.519 -0.371 0.000 1.087 442 W CA -1.685 55.294 57.345 -0.610 0.000 1.205 442 W CB 0.011 28.866 29.460 -1.008 0.000 1.288 442 W HN 0.304 nan 8.180 nan 0.000 0.504 443 P HA 0.095 nan 4.420 nan 0.000 0.270 443 P C -0.321 177.169 177.300 0.317 0.000 1.223 443 P CA 0.056 63.258 63.100 0.169 0.000 0.785 443 P CB 1.090 32.869 31.700 0.132 0.000 0.923 444 S N 0.421 116.299 115.700 0.297 0.000 2.690 444 S HA 0.260 5.003 4.470 0.454 0.000 0.291 444 S C 0.498 175.216 174.600 0.197 0.000 1.138 444 S CA -0.806 57.591 58.200 0.329 0.000 1.013 444 S CB 1.157 64.541 63.200 0.307 0.000 1.053 444 S HN 0.487 nan 8.310 nan 0.000 0.539 453 L N 1.954 123.221 121.223 0.073 0.000 2.326 453 L HA 0.742 5.355 4.340 0.454 0.000 0.278 453 L C 0.199 176.954 176.870 -0.191 0.000 1.092 453 L CA -0.177 54.684 54.840 0.034 0.000 0.810 453 L CB 1.201 43.350 42.059 0.150 0.000 1.153 453 L HN 0.517 nan 8.230 nan 0.000 0.439 454 N N 4.234 122.750 118.700 -0.307 0.000 2.844 454 N HA 0.348 5.360 4.740 0.454 0.000 0.268 454 N C -2.106 173.062 175.510 -0.569 0.000 1.574 454 N CA -1.695 51.023 53.050 -0.553 0.000 0.838 454 N CB 1.092 38.996 38.487 -0.971 0.000 1.177 454 N HN 0.213 nan 8.380 nan 0.000 0.495 455 P HA -0.059 nan 4.420 nan 0.000 0.218 455 P C 0.970 178.052 177.300 -0.364 0.000 1.149 455 P CA 0.808 63.555 63.100 -0.587 0.000 0.817 455 P CB 0.314 31.444 31.700 -0.949 0.000 0.785 456 A N 0.374 122.878 122.820 -0.527 0.000 1.930 456 A HA 0.128 4.721 4.320 0.454 0.000 0.217 456 A C 1.650 178.868 177.584 -0.611 0.000 1.175 456 A CA 0.970 52.492 52.037 -0.858 0.000 0.627 456 A CB -1.723 16.846 19.000 -0.718 0.000 0.815 456 A HN 0.301 nan 8.150 nan 0.000 0.443 457 G N -0.279 108.165 108.800 -0.594 0.000 2.464 457 G HA2 0.277 4.509 3.960 0.454 0.000 0.231 457 G HA3 0.277 4.509 3.960 0.454 0.000 0.231 457 G C 0.423 175.252 174.900 -0.118 0.000 1.267 457 G CA 0.651 45.444 45.100 -0.512 0.000 0.863 457 G HN 0.418 nan 8.290 nan 0.000 0.559 458 T N -1.009 113.534 114.554 -0.019 0.000 2.785 458 T HA 0.072 4.695 4.350 0.454 0.000 0.341 458 T C 1.527 176.298 174.700 0.118 0.000 1.093 458 T CA 0.651 62.740 62.100 -0.017 0.000 1.103 458 T CB 0.462 69.263 68.868 -0.112 0.000 1.011 458 T HN 1.250 nan 8.240 nan 0.000 0.549 459 V N 1.437 121.387 119.914 0.061 0.000 3.319 459 V HA 0.510 4.903 4.120 0.454 0.000 0.317 459 V C 0.575 176.735 176.094 0.109 0.000 1.411 459 V CA -0.318 62.033 62.300 0.084 0.000 1.112 459 V CB -0.675 31.140 31.823 -0.014 0.000 1.031 459 V HN 0.727 nan 8.190 nan 0.000 0.448 460 R N 0.138 120.728 120.500 0.149 0.000 2.832 460 R HA 0.723 5.336 4.340 0.454 0.000 0.271 460 R C 0.459 176.935 176.300 0.294 0.000 0.996 460 R CA -0.062 56.139 56.100 0.168 0.000 0.977 460 R CB 1.922 32.289 30.300 0.112 0.000 1.168 460 R HN 0.422 nan 8.270 nan 0.000 0.482 461 G N 1.060 109.965 108.800 0.175 0.000 2.537 461 G HA2 0.023 4.255 3.960 0.454 0.000 0.273 461 G HA3 0.023 4.255 3.960 0.454 0.000 0.273 461 G C -0.591 174.165 174.900 -0.240 0.000 1.189 461 G CA -0.549 44.571 45.100 0.033 0.000 0.881 461 G HN 0.610 nan 8.290 nan 0.000 0.535 462 N N 1.352 119.487 118.700 -0.942 0.000 2.429 462 N HA 0.068 5.081 4.740 0.454 0.000 0.271 462 N C -0.840 174.303 175.510 -0.612 0.000 1.272 462 N CA -1.794 50.419 53.050 -1.395 0.000 0.921 462 N CB 1.409 38.983 38.487 -1.522 0.000 1.128 462 N HN 0.104 nan 8.380 nan 0.000 0.481 463 P HA -0.126 nan 4.420 nan 0.000 0.222 463 P C 0.127 177.260 177.300 -0.278 0.000 1.147 463 P CA 0.681 63.627 63.100 -0.256 0.000 0.790 463 P CB 0.155 31.782 31.700 -0.122 0.000 0.780 464 N N 1.082 119.609 118.700 -0.288 0.000 2.971 464 N HA -0.019 4.993 4.740 0.454 0.000 0.294 464 N C 1.019 176.371 175.510 -0.263 0.000 1.210 464 N CA 0.307 53.222 53.050 -0.224 0.000 1.157 464 N CB -0.588 37.797 38.487 -0.170 0.000 1.450 464 N HN 0.088 nan 8.380 nan 0.000 0.527 465 T N -1.405 112.934 114.554 -0.358 0.000 2.788 465 T HA -0.187 4.436 4.350 0.454 0.000 0.268 465 T C 1.385 175.973 174.700 -0.187 0.000 1.044 465 T CA 1.074 62.867 62.100 -0.511 0.000 1.139 465 T CB -0.154 68.293 68.868 -0.701 0.000 0.867 465 T HN 0.526 nan 8.240 nan 0.000 0.454 466 E N 0.755 120.880 120.200 -0.126 0.000 2.051 466 E HA -0.153 4.470 4.350 0.454 0.000 0.192 466 E C 2.338 178.924 176.600 -0.024 0.000 0.991 466 E CA 1.425 57.793 56.400 -0.053 0.000 0.799 466 E CB -0.259 29.411 29.700 -0.051 0.000 0.748 466 E HN 0.525 nan 8.360 nan 0.000 0.449 467 S N -0.390 115.286 115.700 -0.040 0.000 2.427 467 S HA 0.239 4.981 4.470 0.454 0.000 0.224 467 S C 0.628 175.216 174.600 -0.021 0.000 1.047 467 S CA 0.342 58.526 58.200 -0.027 0.000 0.953 467 S CB 0.041 63.221 63.200 -0.034 0.000 0.824 467 S HN 0.441 nan 8.310 nan 0.000 0.502 468 A N 1.806 124.603 122.820 -0.038 0.000 2.540 468 A HA 0.572 5.165 4.320 0.454 0.000 0.239 468 A C 0.516 178.100 177.584 0.001 0.000 1.061 468 A CA 0.188 52.196 52.037 -0.048 0.000 0.758 468 A CB -0.260 18.668 19.000 -0.121 0.000 0.991 468 A HN 0.616 nan 8.150 nan 0.000 0.502 469 A N 1.583 124.376 122.820 -0.045 0.000 2.483 469 A HA 0.518 5.110 4.320 0.454 0.000 0.238 469 A C 0.615 178.119 177.584 -0.134 0.000 1.070 469 A CA 0.526 52.527 52.037 -0.061 0.000 0.770 469 A CB -0.046 18.927 19.000 -0.045 0.000 1.008 469 A HN 2.376 nan 8.150 nan 0.000 0.497 470 A N 1.955 124.661 122.820 -0.190 0.000 2.398 470 A HA 0.635 5.228 4.320 0.454 0.000 0.301 470 A C -0.737 176.691 177.584 -0.260 0.000 1.041 470 A CA -0.433 51.378 52.037 -0.376 0.000 0.711 470 A CB 0.954 19.561 19.000 -0.656 0.000 1.240 470 A HN 0.794 nan 8.150 nan 0.000 0.420 471 L N 3.272 124.327 121.223 -0.280 0.000 2.282 471 L HA 0.544 5.157 4.340 0.454 0.000 0.288 471 L C -0.231 176.491 176.870 -0.246 0.000 1.033 471 L CA -0.921 53.776 54.840 -0.237 0.000 0.807 471 L CB 1.714 43.565 42.059 -0.347 0.000 1.209 471 L HN 0.661 nan 8.230 nan 0.000 0.423 472 V N 3.234 123.054 119.914 -0.156 0.000 2.394 472 V HA 0.639 5.031 4.120 0.454 0.000 0.282 472 V C -0.141 175.910 176.094 -0.072 0.000 1.031 472 V CA -0.544 61.691 62.300 -0.108 0.000 0.881 472 V CB 1.218 33.008 31.823 -0.056 0.000 0.982 472 V HN 0.679 nan 8.190 nan 0.000 0.451 473 I N 2.283 122.820 120.570 -0.056 0.000 3.067 473 I HA 0.732 5.175 4.170 0.454 0.000 0.312 473 I C -1.363 174.809 176.117 0.093 0.000 1.073 473 I CA -1.300 60.000 61.300 0.001 0.000 1.016 473 I CB 2.413 40.395 38.000 -0.031 0.000 1.227 473 I HN 0.628 nan 8.210 nan 0.000 0.456 474 Y N 3.005 123.308 120.300 0.004 0.000 2.326 474 Y HA 0.578 5.400 4.550 0.454 0.000 0.329 474 Y C -1.203 174.701 175.900 0.007 0.000 0.973 474 Y CA -0.901 57.202 58.100 0.005 0.000 1.162 474 Y CB 1.600 40.056 38.460 -0.007 0.000 1.147 474 Y HN 0.460 nan 8.280 nan 0.000 0.456 475 L N 9.047 130.175 121.223 -0.158 0.000 2.315 475 L HA 0.384 4.996 4.340 0.454 0.000 0.283 475 L C -2.263 174.581 176.870 -0.044 0.000 1.089 475 L CA -2.673 52.123 54.840 -0.074 0.000 0.833 475 L CB 0.274 42.292 42.059 -0.069 0.000 1.170 475 L HN 0.512 nan 8.230 nan 0.000 0.442 476 P HA 0.112 nan 4.420 nan 0.000 0.271 476 P C -0.864 176.463 177.300 0.044 0.000 1.216 476 P CA -0.363 62.804 63.100 0.112 0.000 0.776 476 P CB 0.341 32.049 31.700 0.013 0.000 0.881 477 E N 1.357 121.603 120.200 0.077 0.000 2.014 477 E HA 0.178 4.800 4.350 0.454 0.000 0.275 477 E C 0.381 176.994 176.600 0.021 0.000 0.997 477 E CA -0.776 55.645 56.400 0.034 0.000 0.804 477 E CB 0.450 30.181 29.700 0.052 0.000 1.090 477 E HN 0.229 nan 8.360 nan 0.000 0.401 478 V N 0.608 120.525 119.914 0.006 0.000 3.570 478 V HA 0.484 4.877 4.120 0.454 0.000 0.293 478 V C 0.367 176.463 176.094 0.003 0.000 1.237 478 V CA 0.577 62.880 62.300 0.004 0.000 1.226 478 V CB -1.530 30.298 31.823 0.009 0.000 1.028 478 V HN 0.759 nan 8.190 nan 0.000 0.430 483 V N -0.698 119.109 119.914 -0.177 0.000 2.623 483 V HA 0.784 5.177 4.120 0.454 0.000 0.304 483 V C -1.274 174.727 176.094 -0.156 0.000 1.054 483 V CA -0.658 61.595 62.300 -0.079 0.000 0.882 483 V CB 1.588 33.430 31.823 0.031 0.000 1.002 483 V HN 0.451 nan 8.190 nan 0.000 0.424 484 Y N 3.252 123.660 120.300 0.178 0.000 2.496 484 Y HA 0.648 5.470 4.550 0.454 0.000 0.331 484 Y C 0.022 176.059 175.900 0.229 0.000 1.140 484 Y CA -1.055 57.177 58.100 0.220 0.000 1.166 484 Y CB 1.718 40.259 38.460 0.134 0.000 1.249 484 Y HN 0.778 nan 8.280 nan 0.000 0.479 485 F N 3.987 124.072 119.950 0.226 0.000 2.484 485 F HA 0.304 5.104 4.527 0.455 0.000 0.360 485 F C -1.972 173.880 175.800 0.087 0.000 1.101 485 F CA -2.026 55.980 58.000 0.010 0.000 1.251 485 F CB 0.361 39.191 39.000 -0.283 0.000 1.132 485 F HN 0.285 nan 8.300 nan 0.000 0.570 486 P HA 0.177 nan 4.420 nan 0.000 0.269 486 P C -0.976 176.430 177.300 0.178 0.000 1.209 486 P CA -0.282 62.820 63.100 0.004 0.000 0.776 486 P CB 0.496 32.117 31.700 -0.132 0.000 0.876 487 A N 2.036 124.934 122.820 0.130 0.000 2.409 487 A HA 0.008 4.600 4.320 0.454 0.000 0.246 487 A C 1.354 179.034 177.584 0.160 0.000 1.099 487 A CA -0.177 51.949 52.037 0.148 0.000 0.789 487 A CB -0.434 18.615 19.000 0.081 0.000 1.053 487 A HN 0.634 nan 8.150 nan 0.000 0.503 488 L N 0.480 121.808 121.223 0.176 0.000 2.079 488 L HA -0.185 4.428 4.340 0.454 0.000 0.210 488 L C 2.524 179.425 176.870 0.051 0.000 1.081 488 L CA 2.784 57.690 54.840 0.109 0.000 0.752 488 L CB -0.990 41.146 42.059 0.128 0.000 0.896 488 L HN 0.948 nan 8.230 nan 0.000 0.433 489 E N -1.271 118.960 120.200 0.053 0.000 2.110 489 E HA -0.249 4.373 4.350 0.454 0.000 0.193 489 E C 1.773 178.379 176.600 0.009 0.000 0.988 489 E CA 1.142 57.560 56.400 0.031 0.000 0.804 489 E CB -0.384 29.331 29.700 0.025 0.000 0.745 489 E HN 0.389 nan 8.360 nan 0.000 0.458 490 K N 0.504 120.908 120.400 0.007 0.000 2.097 490 K HA -0.067 4.526 4.320 0.454 0.000 0.205 490 K C 2.257 178.841 176.600 -0.025 0.000 1.050 490 K CA 0.800 57.071 56.287 -0.027 0.000 0.938 490 K CB -0.168 32.314 32.500 -0.031 0.000 0.718 490 K HN 0.284 nan 8.250 nan 0.000 0.442 491 I N 1.563 122.142 120.570 0.015 0.000 2.113 491 I HA -0.243 4.200 4.170 0.454 0.000 0.238 491 I C 2.527 178.648 176.117 0.007 0.000 1.070 491 I CA 1.194 62.507 61.300 0.023 0.000 1.332 491 I CB -1.298 36.723 38.000 0.035 0.000 1.044 491 I HN 0.076 nan 8.210 nan 0.000 0.402 492 L N 0.377 121.616 121.223 0.027 0.000 2.043 492 L HA -0.250 4.363 4.340 0.454 0.000 0.212 492 L C 2.619 179.471 176.870 -0.030 0.000 1.075 492 L CA 1.478 56.373 54.840 0.092 0.000 0.752 492 L CB -0.553 41.588 42.059 0.136 0.000 0.891 492 L HN 0.335 nan 8.230 nan 0.000 0.432 493 E N -0.217 119.951 120.200 -0.053 0.000 2.023 493 E HA -0.216 4.406 4.350 0.454 0.000 0.196 493 E C 0.978 177.488 176.600 -0.150 0.000 1.003 493 E CA 0.837 57.173 56.400 -0.107 0.000 0.809 493 E CB -0.157 29.489 29.700 -0.090 0.000 0.755 493 E HN 0.134 nan 8.360 nan 0.000 0.449 512 R N 1.745 122.221 120.500 -0.041 0.000 2.119 512 R HA 0.052 4.664 4.340 0.454 0.000 0.222 512 R C 1.646 177.838 176.300 -0.180 0.000 1.088 512 R CA 1.939 57.981 56.100 -0.095 0.000 0.984 512 R CB -0.108 30.131 30.300 -0.102 0.000 0.884 512 R HN 0.630 nan 8.270 nan 0.000 0.447 513 E N 0.115 120.213 120.200 -0.171 0.000 2.085 513 E HA -0.220 4.402 4.350 0.454 0.000 0.194 513 E C 2.069 178.629 176.600 -0.067 0.000 0.994 513 E CA 1.260 57.562 56.400 -0.164 0.000 0.801 513 E CB -0.259 29.476 29.700 0.059 0.000 0.743 513 E HN 0.184 nan 8.360 nan 0.000 0.453 514 I N 1.368 121.921 120.570 -0.029 0.000 2.179 514 I HA -0.267 4.175 4.170 0.454 0.000 0.242 514 I C 2.394 178.499 176.117 -0.021 0.000 1.088 514 I CA 1.016 62.313 61.300 -0.006 0.000 1.357 514 I CB -0.293 37.711 38.000 0.007 0.000 1.051 514 I HN 0.124 nan 8.210 nan 0.000 0.409 515 L N -1.015 120.184 121.223 -0.041 0.000 2.083 515 L HA -0.094 4.518 4.340 0.454 0.000 0.209 515 L C 1.630 178.465 176.870 -0.059 0.000 1.083 515 L CA 1.569 56.377 54.840 -0.052 0.000 0.752 515 L CB -1.224 40.794 42.059 -0.068 0.000 0.899 515 L HN 0.108 nan 8.230 nan 0.000 0.433 516 E N 2.003 122.153 120.200 -0.084 0.000 2.676 516 E HA 0.093 4.716 4.350 0.454 0.000 0.318 516 E C -0.416 176.172 176.600 -0.020 0.000 1.514 516 E CA -0.195 56.152 56.400 -0.087 0.000 1.667 516 E CB -0.079 29.491 29.700 -0.218 0.000 1.336 516 E HN 0.475 nan 8.360 nan 0.000 0.492 523 L N -1.222 119.886 121.223 -0.192 0.000 2.653 523 L HA 0.572 5.184 4.340 0.454 0.000 0.257 523 L C -1.362 175.383 176.870 -0.209 0.000 0.969 523 L CA -1.136 53.544 54.840 -0.268 0.000 0.869 523 L CB 1.026 42.985 42.059 -0.167 0.000 1.439 523 L HN 0.333 nan 8.230 nan 0.000 0.414 524 Y N 0.760 120.988 120.300 -0.119 0.000 2.326 524 Y HA 0.145 4.967 4.550 0.454 0.000 0.333 524 Y C 1.560 177.388 175.900 -0.120 0.000 1.240 524 Y CA 0.277 58.322 58.100 -0.091 0.000 1.365 524 Y CB 0.830 39.277 38.460 -0.022 0.000 1.289 524 Y HN 0.858 nan 8.280 nan 0.000 0.548 525 E N 1.231 121.541 120.200 0.185 0.000 2.068 525 E HA -0.360 4.263 4.350 0.454 0.000 0.207 525 E C 1.939 178.588 176.600 0.081 0.000 1.032 525 E CA 2.619 59.079 56.400 0.100 0.000 0.839 525 E CB -0.373 29.389 29.700 0.103 0.000 0.758 525 E HN 0.887 nan 8.360 nan 0.000 0.457 526 H N -0.820 118.304 119.070 0.090 0.000 2.387 526 H HA -0.052 4.777 4.556 0.454 0.000 0.299 526 H C 1.866 177.242 175.328 0.078 0.000 1.099 526 H CA 1.588 57.679 56.048 0.071 0.000 1.315 526 H CB -0.349 29.447 29.762 0.056 0.000 1.380 526 H HN 0.325 nan 8.280 nan 0.000 0.513 527 E N 1.363 121.274 120.200 -0.482 0.000 2.031 527 E HA -0.158 4.464 4.350 0.454 0.000 0.193 527 E C 2.149 178.696 176.600 -0.089 0.000 0.994 527 E CA 1.089 57.315 56.400 -0.290 0.000 0.800 527 E CB -0.108 29.397 29.700 -0.324 0.000 0.752 527 E HN 0.515 nan 8.360 nan 0.000 0.447 528 K N 0.795 121.159 120.400 -0.061 0.000 2.097 528 K HA -0.252 4.340 4.320 0.454 0.000 0.214 528 K C 1.814 178.448 176.600 0.057 0.000 1.052 528 K CA 2.029 58.315 56.287 -0.002 0.000 0.932 528 K CB -0.228 32.265 32.500 -0.012 0.000 0.716 528 K HN 0.115 nan 8.250 nan 0.000 0.455 529 D N 0.532 120.970 120.400 0.063 0.000 2.117 529 D HA -0.154 4.758 4.640 0.454 0.000 0.197 529 D C 1.752 178.138 176.300 0.143 0.000 0.987 529 D CA 0.716 54.788 54.000 0.120 0.000 0.829 529 D CB -0.230 40.635 40.800 0.108 0.000 0.961 529 D HN 0.019 nan 8.370 nan 0.000 0.460 530 L N 0.833 122.108 121.223 0.087 0.000 2.056 530 L HA -0.082 4.531 4.340 0.454 0.000 0.207 530 L C 2.222 179.126 176.870 0.057 0.000 1.078 530 L CA 1.100 55.979 54.840 0.065 0.000 0.749 530 L CB -0.787 41.295 42.059 0.039 0.000 0.901 530 L HN -0.080 nan 8.230 nan 0.000 0.433 531 V N -0.914 119.038 119.914 0.062 0.000 2.233 531 V HA -0.360 4.032 4.120 0.454 0.000 0.247 531 V C 2.297 178.468 176.094 0.128 0.000 1.050 531 V CA 2.209 64.549 62.300 0.067 0.000 1.010 531 V CB -1.050 30.814 31.823 0.067 0.000 0.637 531 V HN 0.639 nan 8.190 nan 0.000 0.444 532 W N 1.661 122.945 121.300 -0.027 0.000 2.318 532 W HA -0.355 4.577 4.660 0.454 0.000 0.313 532 W C 2.639 179.149 176.519 -0.016 0.000 1.221 532 W CA 2.487 59.812 57.345 -0.035 0.000 1.266 532 W CB -0.144 29.286 29.460 -0.050 0.000 1.150 532 W HN 0.279 nan 8.180 nan 0.000 0.496 533 K N 0.261 120.654 120.400 -0.011 0.000 2.113 533 K HA -0.226 4.366 4.320 0.454 0.000 0.208 533 K C 1.770 178.307 176.600 -0.105 0.000 1.047 533 K CA 2.151 58.384 56.287 -0.090 0.000 0.928 533 K CB -0.521 31.994 32.500 0.025 0.000 0.716 533 K HN 0.017 nan 8.250 nan 0.000 0.446 534 M N 1.518 121.084 119.600 -0.057 0.000 2.431 534 M HA 0.078 4.831 4.480 0.454 0.000 0.237 534 M C 1.254 177.537 176.300 -0.029 0.000 1.130 534 M CA 0.388 55.677 55.300 -0.018 0.000 1.002 534 M CB -0.124 32.478 32.600 0.003 0.000 1.524 534 M HN 0.259 nan 8.290 nan 0.000 0.482 535 R N 0.051 120.463 120.500 -0.145 0.000 2.159 535 R HA -0.245 4.367 4.340 0.454 0.000 0.252 535 R C 1.407 177.631 176.300 -0.127 0.000 1.144 535 R CA 2.393 58.393 56.100 -0.167 0.000 0.961 535 R CB -1.361 28.668 30.300 -0.451 0.000 0.877 535 R HN 0.353 nan 8.270 nan 0.000 0.444 536 H N 0.687 119.700 119.070 -0.096 0.000 2.353 536 H HA -0.068 4.761 4.556 0.454 0.000 0.298 536 H C 2.129 177.408 175.328 -0.083 0.000 1.103 536 H CA 1.929 57.923 56.048 -0.089 0.000 1.293 536 H CB 0.061 29.776 29.762 -0.079 0.000 1.372 536 H HN 0.400 nan 8.280 nan 0.000 0.501 537 E N 0.260 120.528 120.200 0.113 0.000 2.216 537 E HA -0.058 4.565 4.350 0.454 0.000 0.192 537 E C 2.477 179.185 176.600 0.181 0.000 0.988 537 E CA 0.359 56.850 56.400 0.152 0.000 0.834 537 E CB -0.355 29.455 29.700 0.184 0.000 0.772 537 E HN 0.304 nan 8.360 nan 0.000 0.479 538 V N 1.857 121.847 119.914 0.128 0.000 2.255 538 V HA -0.265 4.128 4.120 0.454 0.000 0.247 538 V C 2.615 178.690 176.094 -0.031 0.000 1.051 538 V CA 2.021 64.425 62.300 0.173 0.000 1.018 538 V CB -0.597 31.340 31.823 0.190 0.000 0.641 538 V HN 0.277 nan 8.190 nan 0.000 0.445 539 Q N -0.582 119.007 119.800 -0.352 0.000 2.364 539 Q HA -0.227 4.386 4.340 0.454 0.000 0.209 539 Q C 1.982 177.571 176.000 -0.684 0.000 0.977 539 Q CA 1.617 56.782 55.803 -1.064 0.000 0.885 539 Q CB 0.113 28.269 28.738 -0.970 0.000 0.941 539 Q HN 0.761 nan 8.270 nan 0.000 0.464 540 E N -1.847 118.117 120.200 -0.393 0.000 2.244 540 E HA -0.028 4.595 4.350 0.454 0.000 0.196 540 E C 0.783 177.003 176.600 -0.633 0.000 0.939 540 E CA 0.486 56.587 56.400 -0.498 0.000 0.884 540 E CB 0.355 29.770 29.700 -0.475 0.000 0.850 540 E HN 0.473 nan 8.360 nan 0.000 0.481 541 H N -2.017 116.999 119.070 -0.090 0.000 3.058 541 H HA 0.244 5.073 4.556 0.454 0.000 0.266 541 H C -0.356 174.672 175.328 -0.500 0.000 1.135 541 H CA 0.007 55.913 56.048 -0.237 0.000 1.174 541 H CB 0.718 30.356 29.762 -0.207 0.000 1.581 541 H HN -0.029 nan 8.280 nan 0.000 0.553 542 F N 0.399 120.363 119.950 0.023 0.000 2.605 542 F HA 0.240 5.039 4.527 0.454 0.000 0.391 542 F C -1.867 173.981 175.800 0.080 0.000 1.429 542 F CA -1.536 56.499 58.000 0.058 0.000 1.138 542 F CB 1.319 40.371 39.000 0.086 0.000 1.198 542 F HN -0.022 nan 8.300 nan 0.000 0.516 543 P HA -0.225 nan 4.420 nan 0.000 0.218 543 P C 0.860 178.471 177.300 0.519 0.000 1.146 543 P CA 1.617 64.809 63.100 0.153 0.000 0.820 543 P CB 0.269 31.914 31.700 -0.091 0.000 0.778 544 E N -0.647 119.743 120.200 0.316 0.000 2.516 544 E HA 0.056 4.679 4.350 0.454 0.000 0.199 544 E C 1.596 178.332 176.600 0.226 0.000 1.069 544 E CA 0.329 56.880 56.400 0.252 0.000 0.876 544 E CB -0.213 29.590 29.700 0.170 0.000 0.843 544 E HN 0.232 nan 8.360 nan 0.000 0.530 545 A N 0.602 123.595 122.820 0.289 0.000 2.379 545 A HA 0.060 4.653 4.320 0.454 0.000 0.236 545 A C 1.700 179.385 177.584 0.169 0.000 1.272 545 A CA -0.185 51.977 52.037 0.208 0.000 0.886 545 A CB -0.162 18.952 19.000 0.189 0.000 0.962 545 A HN 0.199 nan 8.150 nan 0.000 0.504 546 L N 0.206 121.526 121.223 0.162 0.000 2.030 546 L HA -0.307 4.305 4.340 0.454 0.000 0.222 546 L C 2.563 179.324 176.870 -0.181 0.000 1.082 546 L CA 2.695 57.400 54.840 -0.224 0.000 0.785 546 L CB -0.767 40.889 42.059 -0.673 0.000 0.895 546 L HN 0.408 nan 8.230 nan 0.000 0.439 547 A N -1.025 121.720 122.820 -0.126 0.000 1.908 547 A HA -0.215 4.378 4.320 0.454 0.000 0.218 547 A C 2.380 180.073 177.584 0.182 0.000 1.181 547 A CA 1.705 53.727 52.037 -0.025 0.000 0.627 547 A CB -0.560 18.403 19.000 -0.062 0.000 0.818 547 A HN 0.488 nan 8.150 nan 0.000 0.445 548 R N -1.056 119.514 120.500 0.117 0.000 2.083 548 R HA -0.151 4.462 4.340 0.454 0.000 0.237 548 R C 2.130 178.498 176.300 0.115 0.000 1.137 548 R CA 1.595 57.761 56.100 0.110 0.000 0.951 548 R CB -1.034 29.311 30.300 0.076 0.000 0.851 548 R HN 0.545 nan 8.270 nan 0.000 0.434 549 L N 1.380 122.670 121.223 0.112 0.000 1.994 549 L HA -0.140 4.473 4.340 0.454 0.000 0.208 549 L C 2.198 179.162 176.870 0.157 0.000 1.071 549 L CA 1.631 56.554 54.840 0.138 0.000 0.745 549 L CB -0.780 41.360 42.059 0.135 0.000 0.892 549 L HN 0.101 nan 8.230 nan 0.000 0.431 550 L N -1.009 120.318 121.223 0.174 0.000 2.189 550 L HA -0.252 4.360 4.340 0.454 0.000 0.214 550 L C 2.411 179.525 176.870 0.406 0.000 1.097 550 L CA 1.107 56.155 54.840 0.346 0.000 0.764 550 L CB -0.641 41.693 42.059 0.458 0.000 0.900 550 L HN 0.334 nan 8.230 nan 0.000 0.436 551 L N -0.795 120.579 121.223 0.252 0.000 2.395 551 L HA -0.068 4.545 4.340 0.454 0.000 0.218 551 L C 2.218 179.142 176.870 0.090 0.000 1.130 551 L CA 0.380 55.309 54.840 0.147 0.000 0.826 551 L CB -0.145 41.955 42.059 0.068 0.000 0.941 551 L HN 0.256 nan 8.230 nan 0.000 0.451 552 V N -5.106 114.838 119.914 0.051 0.000 3.431 552 V HA 0.078 4.470 4.120 0.454 0.000 0.253 552 V C 1.332 177.263 176.094 -0.272 0.000 1.184 552 V CA 0.233 62.501 62.300 -0.052 0.000 1.104 552 V CB -0.233 31.594 31.823 0.005 0.000 0.799 552 V HN 0.329 nan 8.190 nan 0.000 0.462 553 T N 2.325 116.669 114.554 -0.350 0.000 2.928 553 T HA 0.106 4.728 4.350 0.454 0.000 0.305 553 T C 0.163 174.264 174.700 -0.997 0.000 1.035 553 T CA -0.110 61.457 62.100 -0.888 0.000 1.145 553 T CB 0.128 68.521 68.868 -0.792 0.000 0.963 553 T HN 0.449 nan 8.240 nan 0.000 0.545 554 K N 4.627 124.432 120.400 -0.990 0.000 2.292 554 K HA 0.084 4.677 4.320 0.454 0.000 0.290 554 K C 0.257 176.483 176.600 -0.624 0.000 1.083 554 K CA -0.058 55.844 56.287 -0.642 0.000 0.918 554 K CB 0.555 32.753 32.500 -0.503 0.000 1.089 554 K HN 0.812 nan 8.250 nan 0.000 0.473 555 W N 1.367 122.510 121.300 -0.261 0.000 2.678 555 W HA -0.089 4.844 4.660 0.455 0.000 0.256 555 W C 1.507 177.883 176.519 -0.238 0.000 1.280 555 W CA 0.167 57.315 57.345 -0.328 0.000 1.345 555 W CB -0.056 29.059 29.460 -0.575 0.000 1.118 555 W HN 0.571 nan 8.180 nan 0.000 0.629 556 N N 0.603 119.291 118.700 -0.020 0.000 2.322 556 N HA -0.023 4.990 4.740 0.454 0.000 0.194 556 N C -0.269 175.241 175.510 -0.000 0.000 1.126 556 N CA 0.367 53.415 53.050 -0.004 0.000 0.845 556 N CB -0.273 38.204 38.487 -0.016 0.000 0.976 556 N HN -0.152 nan 8.380 nan 0.000 0.475 557 K N 1.347 121.717 120.400 -0.049 0.000 2.521 557 K HA 0.099 4.691 4.320 0.454 0.000 0.248 557 K C 0.611 177.194 176.600 -0.028 0.000 0.978 557 K CA -0.534 55.732 56.287 -0.035 0.000 0.947 557 K CB 0.774 33.200 32.500 -0.123 0.000 1.165 557 K HN 0.268 nan 8.250 nan 0.000 0.445 558 H N 2.430 121.510 119.070 0.018 0.000 2.426 558 H HA -0.112 4.717 4.556 0.454 0.000 0.298 558 H C 0.609 175.958 175.328 0.036 0.000 1.107 558 H CA 1.520 57.598 56.048 0.050 0.000 1.298 558 H CB 0.344 30.151 29.762 0.076 0.000 1.377 558 H HN 0.542 nan 8.280 nan 0.000 0.519 559 E N 0.864 120.697 120.200 -0.612 0.000 2.051 559 E HA -0.140 4.482 4.350 0.454 0.000 0.192 559 E C 1.865 178.386 176.600 -0.133 0.000 0.991 559 E CA 1.323 57.487 56.400 -0.394 0.000 0.799 559 E CB -0.052 29.439 29.700 -0.347 0.000 0.748 559 E HN 0.550 nan 8.360 nan 0.000 0.449 560 D N 0.634 120.960 120.400 -0.122 0.000 2.123 560 D HA -0.132 4.781 4.640 0.454 0.000 0.196 560 D C 2.091 178.339 176.300 -0.086 0.000 0.992 560 D CA 0.725 54.684 54.000 -0.069 0.000 0.833 560 D CB -0.296 40.285 40.800 -0.365 0.000 0.954 560 D HN -0.037 nan 8.370 nan 0.000 0.455 561 V N 1.026 120.827 119.914 -0.189 0.000 2.287 561 V HA -0.268 4.125 4.120 0.454 0.000 0.248 561 V C 2.434 178.522 176.094 -0.011 0.000 1.053 561 V CA 1.872 64.062 62.300 -0.182 0.000 1.027 561 V CB -0.842 30.963 31.823 -0.030 0.000 0.646 561 V HN 0.235 nan 8.190 nan 0.000 0.447 562 A N -0.989 121.849 122.820 0.029 0.000 1.908 562 A HA -0.336 4.257 4.320 0.454 0.000 0.218 562 A C 2.151 179.769 177.584 0.057 0.000 1.181 562 A CA 2.253 54.318 52.037 0.045 0.000 0.627 562 A CB -0.540 18.471 19.000 0.018 0.000 0.818 562 A HN 0.628 nan 8.150 nan 0.000 0.445 563 Q N -1.830 118.009 119.800 0.064 0.000 2.030 563 Q HA -0.235 4.378 4.340 0.454 0.000 0.204 563 Q C 2.186 178.238 176.000 0.087 0.000 0.986 563 Q CA 1.957 57.804 55.803 0.073 0.000 0.843 563 Q CB -0.329 28.457 28.738 0.079 0.000 0.904 563 Q HN 0.674 nan 8.270 nan 0.000 0.420 564 M N 0.353 120.034 119.600 0.134 0.000 2.082 564 M HA -0.181 4.571 4.480 0.454 0.000 0.258 564 M C 1.672 177.997 176.300 0.042 0.000 1.071 564 M CA 1.640 56.990 55.300 0.084 0.000 1.103 564 M CB -0.583 32.013 32.600 -0.007 0.000 1.307 564 M HN 0.192 nan 8.290 nan 0.000 0.409 565 L N -0.639 120.609 121.223 0.042 0.000 2.081 565 L HA -0.224 4.389 4.340 0.454 0.000 0.212 565 L C 2.415 179.296 176.870 0.019 0.000 1.080 565 L CA 1.901 56.746 54.840 0.007 0.000 0.754 565 L CB -1.754 40.279 42.059 -0.044 0.000 0.893 565 L HN 0.531 nan 8.230 nan 0.000 0.433 566 Y N -0.187 120.086 120.300 -0.046 0.000 2.128 566 Y HA -0.258 4.565 4.550 0.454 0.000 0.284 566 Y C 2.321 178.227 175.900 0.008 0.000 1.154 566 Y CA 1.638 59.720 58.100 -0.029 0.000 1.149 566 Y CB -0.291 38.152 38.460 -0.028 0.000 0.976 566 Y HN 0.119 nan 8.280 nan 0.000 0.505 567 L N -0.809 120.402 121.223 -0.021 0.000 2.201 567 L HA -0.189 4.423 4.340 0.454 0.000 0.212 567 L C 2.317 179.280 176.870 0.154 0.000 1.105 567 L CA 0.628 55.468 54.840 0.000 0.000 0.775 567 L CB -0.667 41.467 42.059 0.125 0.000 0.913 567 L HN 0.287 nan 8.230 nan 0.000 0.440 568 L N -0.416 120.837 121.223 0.050 0.000 2.083 568 L HA -0.203 4.410 4.340 0.454 0.000 0.209 568 L C 2.382 179.290 176.870 0.062 0.000 1.083 568 L CA 1.677 56.496 54.840 -0.035 0.000 0.752 568 L CB -0.623 41.340 42.059 -0.160 0.000 0.899 568 L HN 0.267 nan 8.230 nan 0.000 0.433 569 C N -0.897 118.402 119.300 -0.001 0.000 2.448 569 C HA -0.003 4.730 4.460 0.454 0.000 0.280 569 C C 2.614 177.620 174.990 0.027 0.000 1.398 569 C CA 0.875 59.907 59.018 0.023 0.000 1.774 569 C CB -1.174 26.541 27.740 -0.041 0.000 1.888 569 C HN 0.737 nan 8.230 nan 0.000 0.519 570 S N -2.045 113.633 115.700 -0.037 0.000 2.556 570 S HA 0.029 4.771 4.470 0.454 0.000 0.216 570 S C 0.310 174.939 174.600 0.050 0.000 0.970 570 S CA -0.325 57.852 58.200 -0.038 0.000 0.912 570 S CB -0.253 62.854 63.200 -0.155 0.000 0.790 570 S HN 0.667 nan 8.310 nan 0.000 0.504 571 W N 5.226 126.511 121.300 -0.024 0.000 2.308 571 W HA 0.216 5.149 4.660 0.455 0.000 0.324 571 W C -2.585 174.044 176.519 0.183 0.000 1.387 571 W CA -1.801 55.557 57.345 0.021 0.000 1.250 571 W CB 0.442 29.817 29.460 -0.141 0.000 1.257 571 W HN 0.134 nan 8.180 nan 0.000 0.554 572 P HA -0.033 nan 4.420 nan 0.000 0.269 572 P C -0.490 177.036 177.300 0.378 0.000 1.209 572 P CA 0.508 63.718 63.100 0.185 0.000 0.776 572 P CB 0.720 32.431 31.700 0.018 0.000 0.876 573 E N 0.898 121.189 120.200 0.151 0.000 2.442 573 E HA 0.075 4.697 4.350 0.454 0.000 0.262 573 E C -0.066 176.595 176.600 0.103 0.000 1.004 573 E CA 0.109 56.513 56.400 0.007 0.000 0.928 573 E CB 0.202 29.846 29.700 -0.094 0.000 0.937 573 E HN 0.354 nan 8.360 nan 0.000 0.446 574 L N 3.822 125.087 121.223 0.071 0.000 2.334 574 L HA 0.453 5.065 4.340 0.454 0.000 0.270 574 L C -2.185 174.701 176.870 0.026 0.000 1.018 574 L CA -2.475 52.435 54.840 0.117 0.000 0.811 574 L CB 1.102 43.279 42.059 0.197 0.000 1.271 574 L HN 0.283 nan 8.230 nan 0.000 0.443 575 P HA 0.035 nan 4.420 nan 0.000 0.271 575 P C 1.002 178.303 177.300 0.002 0.000 1.216 575 P CA -0.221 62.891 63.100 0.021 0.000 0.776 575 P CB 0.876 32.598 31.700 0.037 0.000 0.881 576 V N 2.977 122.892 119.914 0.002 0.000 2.280 576 V HA -0.295 4.098 4.120 0.454 0.000 0.258 576 V C 2.182 178.259 176.094 -0.028 0.000 1.081 576 V CA 2.326 64.624 62.300 -0.002 0.000 1.070 576 V CB -1.049 30.806 31.823 0.054 0.000 0.666 576 V HN 0.567 nan 8.190 nan 0.000 0.450 577 L N -0.166 121.057 121.223 -0.000 0.000 2.042 577 L HA -0.165 4.447 4.340 0.454 0.000 0.210 577 L C 2.488 179.326 176.870 -0.053 0.000 1.076 577 L CA 2.580 57.422 54.840 0.004 0.000 0.749 577 L CB -0.739 41.362 42.059 0.069 0.000 0.893 577 L HN 0.332 nan 8.230 nan 0.000 0.432 578 S N -0.314 115.358 115.700 -0.047 0.000 2.368 578 S HA -0.119 4.624 4.470 0.454 0.000 0.224 578 S C 2.108 176.604 174.600 -0.172 0.000 1.029 578 S CA 1.008 59.145 58.200 -0.103 0.000 0.988 578 S CB -0.604 62.587 63.200 -0.014 0.000 0.838 578 S HN 0.693 nan 8.310 nan 0.000 0.462 579 A N 1.650 124.396 122.820 -0.123 0.000 1.908 579 A HA -0.088 4.505 4.320 0.454 0.000 0.218 579 A C 2.077 179.552 177.584 -0.182 0.000 1.181 579 A CA 1.331 53.283 52.037 -0.142 0.000 0.627 579 A CB -0.828 18.095 19.000 -0.129 0.000 0.818 579 A HN 0.476 nan 8.150 nan 0.000 0.445 580 L N -0.880 120.226 121.223 -0.195 0.000 2.131 580 L HA -0.204 4.408 4.340 0.454 0.000 0.210 580 L C 2.617 179.350 176.870 -0.228 0.000 1.092 580 L CA 1.775 56.496 54.840 -0.197 0.000 0.759 580 L CB -0.475 41.451 42.059 -0.221 0.000 0.903 580 L HN 0.625 nan 8.230 nan 0.000 0.435 581 E N 0.844 120.784 120.200 -0.434 0.000 2.107 581 E HA -0.177 4.445 4.350 0.454 0.000 0.191 581 E C 2.198 178.621 176.600 -0.295 0.000 0.982 581 E CA 0.732 56.843 56.400 -0.480 0.000 0.809 581 E CB 0.006 29.215 29.700 -0.818 0.000 0.756 581 E HN 0.499 nan 8.360 nan 0.000 0.459 582 L N 0.863 121.835 121.223 -0.419 0.000 2.549 582 L HA -0.061 4.552 4.340 0.454 0.000 0.229 582 L C 1.800 178.543 176.870 -0.211 0.000 1.158 582 L CA 0.240 54.711 54.840 -0.614 0.000 0.842 582 L CB -0.050 41.719 42.059 -0.484 0.000 0.952 582 L HN 0.226 nan 8.230 nan 0.000 0.452 583 L N -1.204 119.989 121.223 -0.051 0.000 2.592 583 L HA 0.096 4.709 4.340 0.454 0.000 0.227 583 L C 0.663 177.650 176.870 0.195 0.000 1.127 583 L CA -0.278 54.603 54.840 0.069 0.000 0.884 583 L CB -0.194 41.889 42.059 0.041 0.000 1.065 583 L HN 0.133 nan 8.230 nan 0.000 0.457 584 D N -0.485 120.065 120.400 0.250 0.000 2.390 584 D HA -0.169 4.744 4.640 0.454 0.000 0.236 584 D C 0.977 177.337 176.300 0.101 0.000 1.189 584 D CA 0.174 54.325 54.000 0.251 0.000 0.887 584 D CB 0.628 41.610 40.800 0.303 0.000 1.198 584 D HN 0.022 nan 8.370 nan 0.000 0.444 585 F N 1.706 121.446 119.950 -0.351 0.000 2.269 585 F HA -0.122 4.678 4.527 0.455 0.000 0.301 585 F C 2.279 177.780 175.800 -0.499 0.000 1.082 585 F CA 1.027 58.630 58.000 -0.661 0.000 1.360 585 F CB -0.492 37.875 39.000 -1.055 0.000 1.041 585 F HN 0.310 nan 8.300 nan 0.000 0.512 586 S N -0.230 115.114 115.700 -0.593 0.000 2.461 586 S HA -0.213 4.530 4.470 0.454 0.000 0.246 586 S C 0.433 174.328 174.600 -1.174 0.000 1.007 586 S CA 0.960 58.605 58.200 -0.926 0.000 0.976 586 S CB -0.793 61.758 63.200 -1.082 0.000 0.763 586 S HN 0.316 nan 8.310 nan 0.000 0.508 587 F N 0.713 120.409 119.950 -0.423 0.000 2.449 587 F HA 0.348 5.147 4.527 0.454 0.000 0.329 587 F C -1.960 173.581 175.800 -0.430 0.000 1.245 587 F CA -2.243 55.527 58.000 -0.384 0.000 1.193 587 F CB 1.099 39.967 39.000 -0.220 0.000 1.425 587 F HN -0.042 nan 8.300 nan 0.000 0.544 588 P HA -0.084 nan 4.420 nan 0.000 0.235 588 P C 0.245 177.323 177.300 -0.369 0.000 1.177 588 P CA 0.580 63.362 63.100 -0.530 0.000 0.785 588 P CB 0.348 31.522 31.700 -0.876 0.000 0.885 589 D N 0.849 121.033 120.400 -0.360 0.000 2.401 589 D HA -0.031 4.881 4.640 0.454 0.000 0.254 589 D C 1.163 177.437 176.300 -0.043 0.000 1.192 589 D CA -0.009 53.907 54.000 -0.141 0.000 0.885 589 D CB 1.076 41.857 40.800 -0.031 0.000 1.147 589 D HN 0.141 nan 8.370 nan 0.000 0.478 590 C N 3.809 123.067 119.300 -0.070 0.000 2.456 590 C HA -0.038 4.695 4.460 0.454 0.000 0.279 590 C C 2.105 177.036 174.990 -0.099 0.000 1.427 590 C CA -0.225 58.734 59.018 -0.098 0.000 1.778 590 C CB -1.653 25.997 27.740 -0.149 0.000 1.842 590 C HN 0.682 nan 8.230 nan 0.000 0.531 591 Y N 1.356 121.666 120.300 0.018 0.000 2.314 591 Y HA 0.004 4.827 4.550 0.455 0.000 0.293 591 Y C 2.749 178.683 175.900 0.056 0.000 1.129 591 Y CA 1.501 59.628 58.100 0.044 0.000 1.201 591 Y CB -0.460 38.037 38.460 0.062 0.000 0.999 591 Y HN 0.220 nan 8.280 nan 0.000 0.541 592 V N -0.887 119.133 119.914 0.176 0.000 2.323 592 V HA -0.190 4.202 4.120 0.454 0.000 0.244 592 V C 2.528 178.673 176.094 0.085 0.000 1.041 592 V CA 1.841 64.189 62.300 0.079 0.000 1.025 592 V CB -1.309 30.532 31.823 0.030 0.000 0.656 592 V HN 0.499 nan 8.190 nan 0.000 0.451 593 G N -0.927 107.899 108.800 0.043 0.000 2.491 593 G HA2 -0.342 3.891 3.960 0.454 0.000 0.218 593 G HA3 -0.342 3.891 3.960 0.454 0.000 0.218 593 G C 1.937 176.845 174.900 0.012 0.000 1.180 593 G CA 1.372 46.481 45.100 0.015 0.000 0.774 593 G HN 0.461 nan 8.290 nan 0.000 0.562 594 S N -0.275 115.442 115.700 0.028 0.000 2.374 594 S HA -0.170 4.572 4.470 0.454 0.000 0.227 594 S C 2.024 176.649 174.600 0.043 0.000 1.037 594 S CA 1.672 59.886 58.200 0.024 0.000 1.024 594 S CB -0.397 62.834 63.200 0.051 0.000 0.861 594 S HN 0.414 nan 8.310 nan 0.000 0.456 595 F N 1.791 121.719 119.950 -0.037 0.000 2.146 595 F HA 0.070 4.869 4.527 0.454 0.000 0.298 595 F C 2.196 177.933 175.800 -0.104 0.000 1.096 595 F CA 1.192 59.158 58.000 -0.056 0.000 1.275 595 F CB -0.660 38.300 39.000 -0.067 0.000 1.008 595 F HN 0.251 nan 8.300 nan 0.000 0.480 596 A N 0.898 123.751 122.820 0.055 0.000 1.898 596 A HA -0.107 4.486 4.320 0.454 0.000 0.216 596 A C 2.179 179.629 177.584 -0.224 0.000 1.181 596 A CA 1.616 53.609 52.037 -0.073 0.000 0.620 596 A CB -0.957 18.010 19.000 -0.055 0.000 0.819 596 A HN 0.394 nan 8.150 nan 0.000 0.442 597 I N 0.071 120.506 120.570 -0.225 0.000 2.226 597 I HA -0.240 4.202 4.170 0.454 0.000 0.245 597 I C 2.374 178.266 176.117 -0.374 0.000 1.100 597 I CA 2.017 63.096 61.300 -0.367 0.000 1.374 597 I CB -1.209 36.611 38.000 -0.300 0.000 1.057 597 I HN 0.429 nan 8.210 nan 0.000 0.413 598 K N 0.898 121.120 120.400 -0.296 0.000 2.074 598 K HA -0.187 4.406 4.320 0.454 0.000 0.209 598 K C 2.277 178.674 176.600 -0.339 0.000 1.048 598 K CA 2.032 58.142 56.287 -0.295 0.000 0.926 598 K CB -0.016 32.295 32.500 -0.315 0.000 0.713 598 K HN 0.091 nan 8.250 nan 0.000 0.444 599 S N 0.295 115.730 115.700 -0.441 0.000 2.436 599 S HA 0.054 4.797 4.470 0.454 0.000 0.228 599 S C 1.555 176.024 174.600 -0.218 0.000 1.014 599 S CA 0.544 58.536 58.200 -0.346 0.000 0.950 599 S CB -0.010 62.966 63.200 -0.375 0.000 0.784 599 S HN 0.261 nan 8.310 nan 0.000 0.504 600 L N 0.915 121.982 121.223 -0.260 0.000 2.395 600 L HA 0.079 4.691 4.340 0.454 0.000 0.218 600 L C 2.297 179.077 176.870 -0.149 0.000 1.130 600 L CA 0.505 55.211 54.840 -0.223 0.000 0.826 600 L CB -0.180 41.660 42.059 -0.365 0.000 0.941 600 L HN 0.201 nan 8.230 nan 0.000 0.451 601 R N 0.748 121.157 120.500 -0.151 0.000 2.152 601 R HA -0.160 4.453 4.340 0.454 0.000 0.232 601 R C 1.828 178.192 176.300 0.105 0.000 1.117 601 R CA 1.152 57.290 56.100 0.062 0.000 0.981 601 R CB -0.217 30.109 30.300 0.043 0.000 0.870 601 R HN 0.427 nan 8.270 nan 0.000 0.451 602 K N 0.878 121.299 120.400 0.034 0.000 2.551 602 K HA 0.045 4.638 4.320 0.454 0.000 0.192 602 K C 0.191 176.827 176.600 0.059 0.000 1.027 602 K CA 0.202 56.512 56.287 0.038 0.000 1.059 602 K CB -0.037 32.469 32.500 0.009 0.000 0.831 602 K HN 0.081 nan 8.250 nan 0.000 0.508 603 L N 3.424 124.705 121.223 0.097 0.000 2.540 603 L HA -0.021 4.591 4.340 0.454 0.000 0.276 603 L C 0.872 177.789 176.870 0.078 0.000 1.212 603 L CA -0.024 54.882 54.840 0.109 0.000 0.893 603 L CB 0.414 42.584 42.059 0.184 0.000 1.138 603 L HN 0.361 nan 8.230 nan 0.000 0.491 604 T N -1.390 113.184 114.554 0.034 0.000 2.898 604 T HA 0.034 4.657 4.350 0.454 0.000 0.301 604 T C 0.869 175.569 174.700 -0.001 0.000 1.049 604 T CA -0.838 61.266 62.100 0.008 0.000 1.095 604 T CB 1.009 69.866 68.868 -0.020 0.000 0.976 604 T HN 0.525 nan 8.240 nan 0.000 0.539 605 D N 1.087 121.482 120.400 -0.009 0.000 2.123 605 D HA -0.100 4.812 4.640 0.454 0.000 0.196 605 D C 1.675 177.969 176.300 -0.011 0.000 0.992 605 D CA 1.198 55.192 54.000 -0.011 0.000 0.833 605 D CB -0.236 40.547 40.800 -0.028 0.000 0.954 605 D HN 0.639 nan 8.370 nan 0.000 0.455 606 D N 0.859 121.234 120.400 -0.042 0.000 2.116 606 D HA -0.156 4.756 4.640 0.454 0.000 0.193 606 D C 1.980 178.210 176.300 -0.116 0.000 0.998 606 D CA 0.937 54.908 54.000 -0.047 0.000 0.836 606 D CB -0.221 40.529 40.800 -0.084 0.000 0.951 606 D HN 0.403 nan 8.370 nan 0.000 0.449 607 E N -0.108 119.982 120.200 -0.183 0.000 2.051 607 E HA -0.159 4.463 4.350 0.454 0.000 0.192 607 E C 2.117 178.444 176.600 -0.455 0.000 0.991 607 E CA 0.296 56.451 56.400 -0.409 0.000 0.799 607 E CB -0.126 29.442 29.700 -0.219 0.000 0.748 607 E HN 0.092 nan 8.360 nan 0.000 0.449 608 L N 0.776 121.920 121.223 -0.131 0.000 1.990 608 L HA -0.207 4.406 4.340 0.454 0.000 0.213 608 L C 2.141 178.987 176.870 -0.041 0.000 1.072 608 L CA 1.721 56.554 54.840 -0.011 0.000 0.755 608 L CB -0.734 41.356 42.059 0.053 0.000 0.889 608 L HN 0.108 nan 8.230 nan 0.000 0.432 609 F N 0.355 120.197 119.950 -0.180 0.000 2.161 609 F HA -0.264 4.535 4.527 0.454 0.000 0.300 609 F C 2.508 178.160 175.800 -0.247 0.000 1.089 609 F CA 2.010 59.894 58.000 -0.193 0.000 1.282 609 F CB -0.531 38.349 39.000 -0.200 0.000 1.010 609 F HN 0.331 nan 8.300 nan 0.000 0.485 610 Q N -0.933 118.567 119.800 -0.500 0.000 2.364 610 Q HA -0.146 4.466 4.340 0.454 0.000 0.207 610 Q C 0.634 176.367 176.000 -0.445 0.000 0.970 610 Q CA 1.574 56.998 55.803 -0.632 0.000 0.888 610 Q CB -0.389 27.942 28.738 -0.679 0.000 0.951 610 Q HN 0.584 nan 8.270 nan 0.000 0.469 611 Y N -2.042 118.126 120.300 -0.220 0.000 2.527 611 Y HA 0.186 5.008 4.550 0.454 0.000 0.247 611 Y C 1.054 176.881 175.900 -0.123 0.000 1.138 611 Y CA -0.753 57.249 58.100 -0.163 0.000 1.228 611 Y CB -0.234 38.167 38.460 -0.098 0.000 1.252 611 Y HN 0.056 nan 8.280 nan 0.000 0.531 612 L N 0.435 121.645 121.223 -0.020 0.000 2.043 612 L HA -0.211 4.401 4.340 0.454 0.000 0.212 612 L C 2.180 179.107 176.870 0.093 0.000 1.075 612 L CA 1.528 56.388 54.840 0.033 0.000 0.752 612 L CB -0.906 41.143 42.059 -0.016 0.000 0.891 612 L HN 0.274 nan 8.230 nan 0.000 0.432 613 L N -0.536 120.720 121.223 0.055 0.000 1.997 613 L HA -0.298 4.314 4.340 0.454 0.000 0.216 613 L C 2.492 179.306 176.870 -0.092 0.000 1.074 613 L CA 2.055 56.855 54.840 -0.067 0.000 0.763 613 L CB -1.021 40.932 42.059 -0.177 0.000 0.890 613 L HN 0.397 nan 8.230 nan 0.000 0.434 614 Q N -0.751 119.004 119.800 -0.074 0.000 2.079 614 Q HA -0.107 4.506 4.340 0.454 0.000 0.200 614 Q C 2.239 178.213 176.000 -0.043 0.000 0.974 614 Q CA 1.847 57.600 55.803 -0.082 0.000 0.840 614 Q CB -0.418 28.268 28.738 -0.088 0.000 0.898 614 Q HN 0.536 nan 8.270 nan 0.000 0.430 615 L N -0.551 120.680 121.223 0.014 0.000 2.079 615 L HA -0.185 4.428 4.340 0.454 0.000 0.210 615 L C 2.129 179.010 176.870 0.017 0.000 1.081 615 L CA 0.707 55.572 54.840 0.043 0.000 0.752 615 L CB -0.598 41.528 42.059 0.112 0.000 0.896 615 L HN 0.116 nan 8.230 nan 0.000 0.433 616 V N -0.663 119.252 119.914 0.000 0.000 2.332 616 V HA -0.281 4.112 4.120 0.454 0.000 0.248 616 V C 2.594 178.666 176.094 -0.038 0.000 1.055 616 V CA 1.521 63.798 62.300 -0.038 0.000 1.038 616 V CB -0.539 31.247 31.823 -0.060 0.000 0.651 616 V HN 0.481 nan 8.190 nan 0.000 0.450 617 Q N -0.441 119.303 119.800 -0.093 0.000 2.181 617 Q HA -0.136 4.477 4.340 0.454 0.000 0.205 617 Q C 2.330 178.133 176.000 -0.330 0.000 0.980 617 Q CA 1.366 57.059 55.803 -0.182 0.000 0.862 617 Q CB -0.751 27.851 28.738 -0.226 0.000 0.905 617 Q HN 0.546 nan 8.270 nan 0.000 0.429 618 V N 1.040 120.811 119.914 -0.237 0.000 2.626 618 V HA -0.188 4.204 4.120 0.454 0.000 0.252 618 V C 2.259 178.311 176.094 -0.071 0.000 1.067 618 V CA 0.869 63.049 62.300 -0.201 0.000 1.081 618 V CB -0.463 31.374 31.823 0.024 0.000 0.686 618 V HN 0.276 nan 8.190 nan 0.000 0.468 619 L N -0.511 120.706 121.223 -0.009 0.000 2.127 619 L HA -0.217 4.395 4.340 0.454 0.000 0.211 619 L C 2.411 179.308 176.870 0.045 0.000 1.089 619 L CA 1.559 56.447 54.840 0.079 0.000 0.757 619 L CB -0.601 41.555 42.059 0.161 0.000 0.899 619 L HN 0.271 nan 8.230 nan 0.000 0.434 620 K N -1.043 119.317 120.400 -0.066 0.000 2.360 620 K HA -0.170 4.423 4.320 0.454 0.000 0.201 620 K C 1.673 178.203 176.600 -0.117 0.000 1.046 620 K CA 1.068 57.253 56.287 -0.170 0.000 0.945 620 K CB -0.018 32.306 32.500 -0.293 0.000 0.750 620 K HN 0.221 nan 8.250 nan 0.000 0.464 621 Y N 1.279 121.519 120.300 -0.100 0.000 2.503 621 Y HA 0.083 4.906 4.550 0.455 0.000 0.278 621 Y C 0.487 176.354 175.900 -0.056 0.000 1.111 621 Y CA -0.189 57.832 58.100 -0.133 0.000 1.270 621 Y CB 0.047 38.485 38.460 -0.037 0.000 1.063 621 Y HN -0.109 nan 8.280 nan 0.000 0.548 622 E N 0.415 120.696 120.200 0.134 0.000 2.480 622 E HA -0.032 4.590 4.350 0.454 0.000 0.258 622 E C 1.040 177.636 176.600 -0.008 0.000 0.984 622 E CA 0.191 56.641 56.400 0.084 0.000 0.930 622 E CB 1.102 30.856 29.700 0.090 0.000 0.936 622 E HN 0.097 nan 8.360 nan 0.000 0.466 623 S N 2.322 117.974 115.700 -0.079 0.000 2.481 623 S HA -0.045 4.698 4.470 0.454 0.000 0.231 623 S C -0.139 174.073 174.600 -0.648 0.000 0.996 623 S CA 0.884 58.871 58.200 -0.355 0.000 0.942 623 S CB 0.021 62.957 63.200 -0.441 0.000 0.768 623 S HN 0.372 nan 8.310 nan 0.000 0.520 624 Y N -1.443 118.892 120.300 0.058 0.000 2.615 624 Y HA 0.430 5.252 4.550 0.454 0.000 0.341 624 Y C 0.745 176.669 175.900 0.040 0.000 1.089 624 Y CA -1.130 57.004 58.100 0.056 0.000 1.049 624 Y CB 0.741 39.261 38.460 0.098 0.000 1.296 624 Y HN -0.216 nan 8.280 nan 0.000 0.470 625 L N -0.186 121.148 121.223 0.185 0.000 1.993 625 L HA -0.032 4.580 4.340 0.454 0.000 0.206 625 L C 0.400 177.497 176.870 0.378 0.000 1.074 625 L CA 1.120 56.018 54.840 0.095 0.000 0.746 625 L CB -0.155 41.792 42.059 -0.186 0.000 0.896 625 L HN 0.561 nan 8.230 nan 0.000 0.435 626 D N 0.561 121.216 120.400 0.425 0.000 2.346 626 D HA 0.188 5.101 4.640 0.454 0.000 0.260 626 D C -0.481 175.919 176.300 0.167 0.000 1.252 626 D CA -0.032 54.132 54.000 0.272 0.000 0.895 626 D CB 0.441 41.308 40.800 0.111 0.000 1.097 626 D HN 0.307 nan 8.370 nan 0.000 0.489 627 C N 2.254 121.632 119.300 0.131 0.000 3.323 627 C HA 0.494 5.227 4.460 0.454 0.000 0.324 627 C C 1.336 176.350 174.990 0.040 0.000 1.428 627 C CA -0.764 58.307 59.018 0.087 0.000 1.368 627 C CB 1.500 29.317 27.740 0.129 0.000 1.731 627 C HN 0.519 nan 8.230 nan 0.000 0.455 628 E N 0.116 120.330 120.200 0.024 0.000 2.072 628 E HA -0.143 4.480 4.350 0.454 0.000 0.191 628 E C 1.808 178.449 176.600 0.069 0.000 0.985 628 E CA 0.999 57.405 56.400 0.010 0.000 0.801 628 E CB -0.246 29.444 29.700 -0.017 0.000 0.750 628 E HN 0.677 nan 8.360 nan 0.000 0.452 629 L N 1.538 122.810 121.223 0.082 0.000 2.042 629 L HA -0.164 4.449 4.340 0.454 0.000 0.210 629 L C 2.211 179.193 176.870 0.188 0.000 1.076 629 L CA 1.942 56.868 54.840 0.143 0.000 0.749 629 L CB -0.980 41.148 42.059 0.115 0.000 0.893 629 L HN 0.045 nan 8.230 nan 0.000 0.432 630 T N -0.800 113.839 114.554 0.141 0.000 2.708 630 T HA -0.209 4.414 4.350 0.454 0.000 0.266 630 T C 1.852 176.610 174.700 0.097 0.000 1.037 630 T CA 1.644 63.830 62.100 0.143 0.000 1.146 630 T CB -0.199 68.790 68.868 0.202 0.000 0.865 630 T HN 0.214 nan 8.240 nan 0.000 0.435 631 K N 1.040 121.454 120.400 0.023 0.000 2.057 631 K HA -0.055 4.537 4.320 0.454 0.000 0.207 631 K C 1.856 178.503 176.600 0.078 0.000 1.049 631 K CA 1.281 57.502 56.287 -0.110 0.000 0.931 631 K CB -0.722 31.633 32.500 -0.242 0.000 0.714 631 K HN 0.340 nan 8.250 nan 0.000 0.440 632 F N 0.785 120.737 119.950 0.003 0.000 2.084 632 F HA -0.004 4.796 4.527 0.454 0.000 0.296 632 F C 1.588 177.439 175.800 0.087 0.000 1.111 632 F CA 1.382 59.412 58.000 0.051 0.000 1.224 632 F CB -0.282 38.734 39.000 0.026 0.000 0.991 632 F HN -0.020 nan 8.300 nan 0.000 0.471 633 L N -0.405 120.844 121.223 0.043 0.000 2.042 633 L HA -0.248 4.364 4.340 0.454 0.000 0.210 633 L C 2.423 179.273 176.870 -0.033 0.000 1.076 633 L CA 0.699 55.500 54.840 -0.065 0.000 0.749 633 L CB -0.831 41.260 42.059 0.053 0.000 0.893 633 L HN 0.243 nan 8.230 nan 0.000 0.432 634 L N 0.096 121.370 121.223 0.085 0.000 2.027 634 L HA -0.079 4.534 4.340 0.454 0.000 0.206 634 L C 2.565 179.550 176.870 0.192 0.000 1.074 634 L CA 2.110 57.062 54.840 0.188 0.000 0.745 634 L CB -1.606 40.616 42.059 0.272 0.000 0.898 634 L HN 0.187 nan 8.230 nan 0.000 0.433 635 G N -1.080 107.852 108.800 0.219 0.000 2.418 635 G HA2 -0.243 3.990 3.960 0.454 0.000 0.217 635 G HA3 -0.243 3.990 3.960 0.454 0.000 0.217 635 G C 1.757 176.643 174.900 -0.024 0.000 1.158 635 G CA 0.332 45.515 45.100 0.138 0.000 0.771 635 G HN 0.207 nan 8.290 nan 0.000 0.545 636 R N 0.658 121.062 120.500 -0.160 0.000 2.073 636 R HA 0.115 4.727 4.340 0.454 0.000 0.229 636 R C 2.967 179.237 176.300 -0.050 0.000 1.120 636 R CA 1.156 57.143 56.100 -0.189 0.000 0.967 636 R CB -1.149 28.894 30.300 -0.427 0.000 0.862 636 R HN 0.333 nan 8.270 nan 0.000 0.436 637 A N 1.134 123.951 122.820 -0.004 0.000 1.978 637 A HA -0.106 4.487 4.320 0.454 0.000 0.220 637 A C 2.279 180.029 177.584 0.277 0.000 1.170 637 A CA 1.136 53.236 52.037 0.106 0.000 0.636 637 A CB -0.498 18.538 19.000 0.060 0.000 0.810 637 A HN 0.197 nan 8.150 nan 0.000 0.448 638 L N -1.473 119.881 121.223 0.217 0.000 2.240 638 L HA -0.033 4.580 4.340 0.454 0.000 0.211 638 L C 2.725 179.689 176.870 0.157 0.000 1.106 638 L CA 0.747 55.692 54.840 0.174 0.000 0.793 638 L CB -0.217 41.850 42.059 0.013 0.000 0.927 638 L HN 0.423 nan 8.230 nan 0.000 0.446 639 A N -1.156 121.731 122.820 0.111 0.000 2.178 639 A HA 0.018 4.611 4.320 0.454 0.000 0.211 639 A C 0.747 178.456 177.584 0.207 0.000 1.157 639 A CA 0.293 52.405 52.037 0.125 0.000 0.780 639 A CB -0.082 18.934 19.000 0.027 0.000 0.828 639 A HN 0.344 nan 8.150 nan 0.000 0.476 640 N N -0.472 118.298 118.700 0.116 0.000 2.533 640 N HA 0.193 5.206 4.740 0.454 0.000 0.289 640 N C 0.232 175.609 175.510 -0.223 0.000 1.103 640 N CA -0.390 52.601 53.050 -0.099 0.000 0.877 640 N CB 1.279 39.723 38.487 -0.072 0.000 1.419 640 N HN 0.226 nan 8.380 nan 0.000 0.517 641 R N 2.552 122.647 120.500 -0.674 0.000 2.115 641 R HA -0.073 4.540 4.340 0.454 0.000 0.230 641 R C 1.688 177.816 176.300 -0.287 0.000 1.111 641 R CA 1.330 57.055 56.100 -0.625 0.000 0.976 641 R CB 0.257 29.886 30.300 -1.118 0.000 0.870 641 R HN 0.525 nan 8.270 nan 0.000 0.445 642 K N 0.426 120.686 120.400 -0.234 0.000 2.057 642 K HA -0.110 4.482 4.320 0.454 0.000 0.207 642 K C 1.841 178.547 176.600 0.178 0.000 1.049 642 K CA 1.292 57.554 56.287 -0.042 0.000 0.931 642 K CB 0.026 32.448 32.500 -0.131 0.000 0.714 642 K HN 0.077 nan 8.250 nan 0.000 0.440 643 I N 1.053 121.678 120.570 0.090 0.000 2.252 643 I HA -0.110 4.333 4.170 0.454 0.000 0.245 643 I C 2.489 178.673 176.117 0.112 0.000 1.102 643 I CA 1.550 62.944 61.300 0.156 0.000 1.385 643 I CB -1.653 36.385 38.000 0.064 0.000 1.064 643 I HN 0.423 nan 8.210 nan 0.000 0.414 644 G N 0.270 109.119 108.800 0.081 0.000 2.469 644 G HA2 -0.351 3.882 3.960 0.454 0.000 0.219 644 G HA3 -0.351 3.882 3.960 0.454 0.000 0.219 644 G C 1.627 176.513 174.900 -0.024 0.000 1.150 644 G CA 1.490 46.595 45.100 0.007 0.000 0.763 644 G HN 0.472 nan 8.290 nan 0.000 0.561 645 H N -0.084 119.038 119.070 0.088 0.000 2.270 645 H HA -0.013 4.815 4.556 0.454 0.000 0.299 645 H C 2.229 177.509 175.328 -0.081 0.000 1.077 645 H CA 1.857 57.925 56.048 0.034 0.000 1.294 645 H CB -0.369 29.322 29.762 -0.120 0.000 1.371 645 H HN 0.321 nan 8.280 nan 0.000 0.491 646 F N -0.329 119.657 119.950 0.060 0.000 2.146 646 F HA -0.072 4.727 4.527 0.454 0.000 0.298 646 F C 2.421 178.038 175.800 -0.305 0.000 1.096 646 F CA 0.845 58.785 58.000 -0.100 0.000 1.275 646 F CB -0.692 38.324 39.000 0.027 0.000 1.008 646 F HN 0.231 nan 8.300 nan 0.000 0.480 647 L N -0.058 121.119 121.223 -0.077 0.000 1.990 647 L HA -0.275 4.338 4.340 0.454 0.000 0.213 647 L C 2.304 179.040 176.870 -0.224 0.000 1.072 647 L CA 1.783 56.526 54.840 -0.161 0.000 0.755 647 L CB -1.252 40.698 42.059 -0.182 0.000 0.889 647 L HN 0.183 nan 8.230 nan 0.000 0.432 648 F N -0.787 118.884 119.950 -0.466 0.000 2.063 648 F HA -0.310 4.489 4.527 0.453 0.000 0.298 648 F C 1.972 177.509 175.800 -0.439 0.000 1.109 648 F CA 2.228 59.897 58.000 -0.552 0.000 1.212 648 F CB -0.875 37.667 39.000 -0.764 0.000 0.973 648 F HN 0.186 nan 8.300 nan 0.000 0.480 649 W N -0.557 120.559 121.300 -0.307 0.000 2.358 649 W HA -0.191 4.742 4.660 0.455 0.000 0.303 649 W C 2.700 179.146 176.519 -0.122 0.000 1.208 649 W CA 1.179 58.353 57.345 -0.285 0.000 1.274 649 W CB -0.680 28.686 29.460 -0.157 0.000 1.138 649 W HN 0.078 nan 8.180 nan 0.000 0.515 650 H N 0.067 119.150 119.070 0.022 0.000 2.353 650 H HA -0.172 4.656 4.556 0.454 0.000 0.298 650 H C 2.142 177.357 175.328 -0.189 0.000 1.103 650 H CA 1.771 57.788 56.048 -0.051 0.000 1.293 650 H CB -0.936 28.780 29.762 -0.077 0.000 1.372 650 H HN 0.192 nan 8.280 nan 0.000 0.501 651 L N -0.413 120.652 121.223 -0.264 0.000 2.049 651 L HA -0.074 4.538 4.340 0.454 0.000 0.203 651 L C 2.639 179.377 176.870 -0.221 0.000 1.074 651 L CA 0.966 55.528 54.840 -0.462 0.000 0.749 651 L CB -0.332 41.386 42.059 -0.570 0.000 0.907 651 L HN 0.082 nan 8.230 nan 0.000 0.439 652 R N 1.117 121.313 120.500 -0.507 0.000 2.170 652 R HA -0.168 4.444 4.340 0.454 0.000 0.242 652 R C 2.382 178.680 176.300 -0.004 0.000 1.145 652 R CA 1.842 57.680 56.100 -0.436 0.000 0.984 652 R CB -0.774 28.875 30.300 -1.084 0.000 0.869 652 R HN 0.530 nan 8.270 nan 0.000 0.455 653 S N -0.569 115.195 115.700 0.107 0.000 2.481 653 S HA -0.028 4.714 4.470 0.454 0.000 0.231 653 S C 0.902 175.666 174.600 0.274 0.000 0.996 653 S CA 0.838 59.157 58.200 0.199 0.000 0.942 653 S CB -0.059 63.253 63.200 0.187 0.000 0.768 653 S HN 0.501 nan 8.310 nan 0.000 0.520 654 E N 0.331 120.700 120.200 0.281 0.000 2.501 654 E HA 0.249 4.872 4.350 0.454 0.000 0.200 654 E C 0.744 177.418 176.600 0.122 0.000 1.016 654 E CA -0.297 56.246 56.400 0.238 0.000 0.921 654 E CB 0.018 29.854 29.700 0.228 0.000 1.034 654 E HN 0.423 nan 8.360 nan 0.000 0.468 655 M N 1.343 121.075 119.600 0.220 0.000 2.446 655 M HA -0.100 4.653 4.480 0.454 0.000 0.263 655 M C 1.934 178.297 176.300 0.105 0.000 1.066 655 M CA 1.248 56.626 55.300 0.129 0.000 1.087 655 M CB -0.942 31.733 32.600 0.125 0.000 1.406 655 M HN 0.297 nan 8.290 nan 0.000 0.459 656 H N -0.855 118.233 119.070 0.030 0.000 2.555 656 H HA 0.164 4.994 4.556 0.456 0.000 0.269 656 H C 0.072 175.407 175.328 0.012 0.000 0.988 656 H CA 0.237 56.300 56.048 0.025 0.000 1.178 656 H CB -0.850 28.931 29.762 0.032 0.000 1.373 656 H HN 0.123 nan 8.280 nan 0.000 0.588 657 V N 4.230 123.886 119.914 -0.430 0.000 2.334 657 V HA 0.108 4.500 4.120 0.454 0.000 0.267 657 V C -1.442 174.542 176.094 -0.183 0.000 1.040 657 V CA -1.195 60.889 62.300 -0.360 0.000 0.866 657 V CB 1.603 33.151 31.823 -0.457 0.000 1.019 657 V HN 0.165 nan 8.190 nan 0.000 0.468 658 P HA -0.132 nan 4.420 nan 0.000 0.218 658 P C 1.817 179.169 177.300 0.088 0.000 1.149 658 P CA 1.436 64.574 63.100 0.063 0.000 0.817 658 P CB 0.165 31.980 31.700 0.192 0.000 0.785 659 S N -0.801 114.876 115.700 -0.038 0.000 2.442 659 S HA -0.091 4.651 4.470 0.454 0.000 0.236 659 S C 1.678 176.124 174.600 -0.257 0.000 1.007 659 S CA 1.397 59.469 58.200 -0.214 0.000 0.965 659 S CB -1.469 61.350 63.200 -0.636 0.000 0.773 659 S HN 0.182 nan 8.310 nan 0.000 0.504 660 V N -2.779 116.918 119.914 -0.361 0.000 3.604 660 V HA 0.634 5.026 4.120 0.454 0.000 0.277 660 V C 2.352 178.160 176.094 -0.476 0.000 1.399 660 V CA 0.221 62.149 62.300 -0.620 0.000 1.034 660 V CB -0.764 30.327 31.823 -1.219 0.000 0.824 660 V HN 0.405 nan 8.190 nan 0.000 0.439 661 A N 1.862 124.539 122.820 -0.238 0.000 1.870 661 A HA -0.275 4.317 4.320 0.454 0.000 0.219 661 A C 2.130 179.717 177.584 0.005 0.000 1.224 661 A CA 2.837 54.831 52.037 -0.072 0.000 0.650 661 A CB -0.937 18.050 19.000 -0.021 0.000 0.836 661 A HN 0.696 nan 8.150 nan 0.000 0.454 662 L N -0.262 120.962 121.223 0.002 0.000 1.970 662 L HA -0.198 4.415 4.340 0.454 0.000 0.212 662 L C 2.547 179.378 176.870 -0.064 0.000 1.071 662 L CA 2.805 57.667 54.840 0.037 0.000 0.751 662 L CB -0.728 41.336 42.059 0.008 0.000 0.889 662 L HN 0.537 nan 8.230 nan 0.000 0.432 663 R N -1.324 119.108 120.500 -0.115 0.000 2.103 663 R HA -0.238 4.375 4.340 0.454 0.000 0.234 663 R C 2.301 178.642 176.300 0.070 0.000 1.132 663 R CA 2.338 58.368 56.100 -0.116 0.000 0.925 663 R CB -0.591 29.670 30.300 -0.065 0.000 0.842 663 R HN 0.334 nan 8.270 nan 0.000 0.430 664 F N 0.459 120.352 119.950 -0.095 0.000 2.065 664 F HA -0.099 4.700 4.527 0.454 0.000 0.298 664 F C 2.585 178.369 175.800 -0.026 0.000 1.112 664 F CA 1.445 59.409 58.000 -0.059 0.000 1.212 664 F CB -1.534 37.430 39.000 -0.059 0.000 0.975 664 F HN 0.311 nan 8.300 nan 0.000 0.476 665 G N 0.304 109.239 108.800 0.226 0.000 2.513 665 G HA2 -0.269 3.963 3.960 0.454 0.000 0.219 665 G HA3 -0.269 3.963 3.960 0.454 0.000 0.219 665 G C 1.896 176.895 174.900 0.166 0.000 1.160 665 G CA 1.204 46.451 45.100 0.246 0.000 0.767 665 G HN 0.370 nan 8.290 nan 0.000 0.571 666 L N -0.019 121.144 121.223 -0.099 0.000 2.083 666 L HA -0.040 4.573 4.340 0.454 0.000 0.209 666 L C 2.882 179.804 176.870 0.087 0.000 1.083 666 L CA 0.660 55.326 54.840 -0.291 0.000 0.752 666 L CB -0.355 41.281 42.059 -0.705 0.000 0.899 666 L HN 0.226 nan 8.230 nan 0.000 0.433 667 I N -0.741 119.905 120.570 0.127 0.000 2.179 667 I HA -0.327 4.116 4.170 0.454 0.000 0.242 667 I C 2.638 178.876 176.117 0.202 0.000 1.088 667 I CA 1.489 62.926 61.300 0.228 0.000 1.357 667 I CB -0.196 37.888 38.000 0.140 0.000 1.051 667 I HN 0.250 nan 8.210 nan 0.000 0.409 668 M N -0.041 119.654 119.600 0.159 0.000 2.080 668 M HA -0.268 4.484 4.480 0.454 0.000 0.260 668 M C 2.351 178.805 176.300 0.257 0.000 1.068 668 M CA 1.830 57.261 55.300 0.218 0.000 1.109 668 M CB -0.566 32.148 32.600 0.190 0.000 1.342 668 M HN 0.238 nan 8.290 nan 0.000 0.405 669 E N 0.516 120.852 120.200 0.227 0.000 2.085 669 E HA -0.231 4.391 4.350 0.454 0.000 0.194 669 E C 1.919 178.626 176.600 0.179 0.000 0.994 669 E CA 1.486 58.011 56.400 0.208 0.000 0.801 669 E CB 0.003 29.845 29.700 0.236 0.000 0.743 669 E HN 0.489 nan 8.360 nan 0.000 0.453 670 A N 0.513 123.454 122.820 0.202 0.000 1.883 670 A HA -0.239 4.354 4.320 0.454 0.000 0.217 670 A C 2.086 179.769 177.584 0.165 0.000 1.186 670 A CA 1.713 53.855 52.037 0.176 0.000 0.624 670 A CB -1.109 18.010 19.000 0.199 0.000 0.822 670 A HN 0.606 nan 8.150 nan 0.000 0.444 671 Y N 0.177 120.531 120.300 0.089 0.000 2.181 671 Y HA -0.280 4.543 4.550 0.454 0.000 0.288 671 Y C 2.561 178.482 175.900 0.035 0.000 1.146 671 Y CA 1.533 59.672 58.100 0.065 0.000 1.164 671 Y CB -0.710 37.793 38.460 0.071 0.000 0.982 671 Y HN 0.394 nan 8.280 nan 0.000 0.515 672 C N 0.677 119.987 119.300 0.017 0.000 2.446 672 C HA -0.125 4.608 4.460 0.454 0.000 0.277 672 C C 2.589 177.524 174.990 -0.092 0.000 1.275 672 C CA 0.770 59.739 59.018 -0.080 0.000 1.727 672 C CB -1.035 26.714 27.740 0.015 0.000 2.010 672 C HN 0.483 nan 8.230 nan 0.000 0.486 673 R N 0.828 121.310 120.500 -0.029 0.000 2.200 673 R HA -0.084 4.529 4.340 0.454 0.000 0.234 673 R C 2.080 178.331 176.300 -0.082 0.000 1.127 673 R CA 1.472 57.555 56.100 -0.028 0.000 0.989 673 R CB -1.158 29.150 30.300 0.013 0.000 0.869 673 R HN 0.645 nan 8.270 nan 0.000 0.459 674 G N -1.266 107.444 108.800 -0.149 0.000 3.088 674 G HA2 -0.008 4.225 3.960 0.454 0.000 0.217 674 G HA3 -0.008 4.225 3.960 0.454 0.000 0.217 674 G C 0.176 174.912 174.900 -0.273 0.000 1.159 674 G CA 0.037 45.012 45.100 -0.209 0.000 0.760 674 G HN 0.202 nan 8.290 nan 0.000 0.550 675 S N -0.635 114.902 115.700 -0.273 0.000 2.835 675 S HA 0.219 4.961 4.470 0.454 0.000 0.140 675 S C 1.338 175.883 174.600 -0.091 0.000 1.131 675 S CA -0.094 57.985 58.200 -0.201 0.000 1.110 675 S CB -0.415 62.587 63.200 -0.328 0.000 1.683 675 S HN 0.092 nan 8.310 nan 0.000 0.473 676 T N 1.952 116.481 114.554 -0.042 0.000 2.653 676 T HA -0.209 4.413 4.350 0.454 0.000 0.268 676 T C 1.637 176.359 174.700 0.035 0.000 1.035 676 T CA 1.876 63.970 62.100 -0.009 0.000 1.154 676 T CB -0.487 68.382 68.868 0.003 0.000 0.862 676 T HN 0.752 nan 8.240 nan 0.000 0.441 677 H N 0.144 119.225 119.070 0.017 0.000 2.353 677 H HA -0.102 4.727 4.556 0.455 0.000 0.300 677 H C 2.279 177.674 175.328 0.112 0.000 1.090 677 H CA 1.838 57.924 56.048 0.063 0.000 1.327 677 H CB -0.377 29.441 29.762 0.092 0.000 1.383 677 H HN 0.600 nan 8.280 nan 0.000 0.508 678 H N 0.429 119.540 119.070 0.067 0.000 2.457 678 H HA -0.111 4.718 4.556 0.454 0.000 0.294 678 H C 2.508 177.770 175.328 -0.109 0.000 1.064 678 H CA 1.215 57.273 56.048 0.017 0.000 1.330 678 H CB 0.183 29.992 29.762 0.079 0.000 1.395 678 H HN 0.485 nan 8.280 nan 0.000 0.541 679 M N 0.060 119.567 119.600 -0.156 0.000 2.229 679 M HA -0.046 4.707 4.480 0.454 0.000 0.264 679 M C 2.048 178.217 176.300 -0.219 0.000 1.063 679 M CA 1.502 56.642 55.300 -0.266 0.000 1.114 679 M CB -0.045 32.444 32.600 -0.186 0.000 1.387 679 M HN -0.116 nan 8.290 nan 0.000 0.420 680 K N 0.774 121.071 120.400 -0.172 0.000 2.032 680 K HA -0.079 4.514 4.320 0.454 0.000 0.209 680 K C 1.934 178.449 176.600 -0.141 0.000 1.048 680 K CA 1.780 57.972 56.287 -0.157 0.000 0.927 680 K CB -0.413 31.970 32.500 -0.195 0.000 0.712 680 K HN 0.237 nan 8.250 nan 0.000 0.441 681 V N 1.644 121.466 119.914 -0.154 0.000 2.287 681 V HA -0.272 4.121 4.120 0.454 0.000 0.248 681 V C 2.151 178.237 176.094 -0.014 0.000 1.053 681 V CA 1.740 64.023 62.300 -0.028 0.000 1.027 681 V CB -0.419 31.481 31.823 0.129 0.000 0.646 681 V HN 0.298 nan 8.190 nan 0.000 0.447 682 L N -1.331 119.794 121.223 -0.163 0.000 2.083 682 L HA -0.230 4.382 4.340 0.454 0.000 0.209 682 L C 2.525 179.337 176.870 -0.097 0.000 1.083 682 L CA 1.663 56.357 54.840 -0.244 0.000 0.752 682 L CB -0.519 41.048 42.059 -0.819 0.000 0.899 682 L HN 0.320 nan 8.230 nan 0.000 0.433 683 M N -0.504 119.033 119.600 -0.104 0.000 2.117 683 M HA -0.203 4.549 4.480 0.454 0.000 0.262 683 M C 2.348 178.672 176.300 0.039 0.000 1.065 683 M CA 1.433 56.721 55.300 -0.020 0.000 1.114 683 M CB -0.259 32.320 32.600 -0.035 0.000 1.361 683 M HN 0.024 nan 8.290 nan 0.000 0.408 684 K N 0.930 121.347 120.400 0.030 0.000 2.020 684 K HA -0.216 4.377 4.320 0.454 0.000 0.212 684 K C 1.770 178.429 176.600 0.098 0.000 1.050 684 K CA 1.949 58.269 56.287 0.055 0.000 0.929 684 K CB -0.456 32.075 32.500 0.053 0.000 0.714 684 K HN 0.355 nan 8.250 nan 0.000 0.443 685 Q N -1.260 118.633 119.800 0.156 0.000 2.061 685 Q HA -0.102 4.511 4.340 0.454 0.000 0.204 685 Q C 2.103 178.273 176.000 0.284 0.000 0.984 685 Q CA 1.839 57.790 55.803 0.248 0.000 0.846 685 Q CB -0.487 28.516 28.738 0.441 0.000 0.902 685 Q HN 0.570 nan 8.270 nan 0.000 0.421 686 G N 0.180 109.186 108.800 0.343 0.000 2.443 686 G HA2 -0.231 4.001 3.960 0.454 0.000 0.219 686 G HA3 -0.231 4.001 3.960 0.454 0.000 0.219 686 G C 0.953 175.955 174.900 0.170 0.000 1.131 686 G CA 0.594 45.899 45.100 0.341 0.000 0.775 686 G HN 0.321 nan 8.290 nan 0.000 0.547 687 E N 0.553 120.816 120.200 0.105 0.000 2.072 687 E HA 0.010 4.633 4.350 0.454 0.000 0.191 687 E C 2.895 179.492 176.600 -0.005 0.000 0.985 687 E CA 0.798 57.219 56.400 0.034 0.000 0.801 687 E CB -0.166 29.543 29.700 0.015 0.000 0.750 687 E HN 0.384 nan 8.360 nan 0.000 0.452 688 A N 0.968 123.799 122.820 0.019 0.000 1.933 688 A HA -0.151 4.441 4.320 0.454 0.000 0.218 688 A C 2.142 179.695 177.584 -0.052 0.000 1.175 688 A CA 1.056 53.084 52.037 -0.015 0.000 0.628 688 A CB -0.514 18.504 19.000 0.029 0.000 0.814 688 A HN 0.143 nan 8.150 nan 0.000 0.444 689 L N -1.075 120.156 121.223 0.014 0.000 2.156 689 L HA -0.091 4.521 4.340 0.454 0.000 0.208 689 L C 2.874 179.725 176.870 -0.032 0.000 1.095 689 L CA 1.185 56.035 54.840 0.017 0.000 0.770 689 L CB -0.305 41.843 42.059 0.149 0.000 0.914 689 L HN 0.493 nan 8.230 nan 0.000 0.439 690 S N -0.238 115.460 115.700 -0.005 0.000 2.356 690 S HA -0.170 4.573 4.470 0.454 0.000 0.223 690 S C 2.154 176.691 174.600 -0.105 0.000 1.032 690 S CA 1.166 59.356 58.200 -0.017 0.000 1.005 690 S CB 0.024 63.223 63.200 -0.002 0.000 0.867 690 S HN 0.212 nan 8.310 nan 0.000 0.449 691 K N 1.152 121.436 120.400 -0.193 0.000 2.009 691 K HA -0.054 4.539 4.320 0.454 0.000 0.210 691 K C 2.164 178.639 176.600 -0.208 0.000 1.049 691 K CA 1.314 57.409 56.287 -0.320 0.000 0.929 691 K CB -1.094 31.096 32.500 -0.516 0.000 0.714 691 K HN 0.432 nan 8.250 nan 0.000 0.440 692 L N 0.983 122.008 121.223 -0.331 0.000 2.013 692 L HA -0.264 4.348 4.340 0.454 0.000 0.212 692 L C 2.583 179.069 176.870 -0.639 0.000 1.073 692 L CA 1.525 55.990 54.840 -0.625 0.000 0.753 692 L CB -0.565 40.770 42.059 -1.206 0.000 0.890 692 L HN 0.143 nan 8.230 nan 0.000 0.432 693 K N 0.555 120.685 120.400 -0.450 0.000 2.074 693 K HA -0.194 4.398 4.320 0.454 0.000 0.209 693 K C 1.950 178.584 176.600 0.057 0.000 1.048 693 K CA 1.845 58.141 56.287 0.014 0.000 0.926 693 K CB -0.391 32.192 32.500 0.140 0.000 0.713 693 K HN 0.276 nan 8.250 nan 0.000 0.444 694 A N 0.167 123.004 122.820 0.029 0.000 1.929 694 A HA -0.032 4.561 4.320 0.454 0.000 0.216 694 A C 2.075 179.752 177.584 0.155 0.000 1.176 694 A CA 1.321 53.420 52.037 0.103 0.000 0.628 694 A CB -0.592 18.472 19.000 0.107 0.000 0.816 694 A HN 0.354 nan 8.150 nan 0.000 0.444 695 L N 0.423 121.733 121.223 0.144 0.000 2.056 695 L HA -0.105 4.507 4.340 0.454 0.000 0.207 695 L C 1.976 178.936 176.870 0.149 0.000 1.078 695 L CA 2.254 57.179 54.840 0.143 0.000 0.749 695 L CB -0.842 41.296 42.059 0.132 0.000 0.901 695 L HN 0.420 nan 8.230 nan 0.000 0.433 696 N N -0.144 118.630 118.700 0.124 0.000 2.120 696 N HA -0.202 4.811 4.740 0.454 0.000 0.188 696 N C 1.507 177.093 175.510 0.128 0.000 1.024 696 N CA 1.470 54.621 53.050 0.169 0.000 0.852 696 N CB -0.183 38.500 38.487 0.328 0.000 1.003 696 N HN 0.354 nan 8.380 nan 0.000 0.424 697 D N -0.319 120.163 120.400 0.137 0.000 2.116 697 D HA -0.167 4.746 4.640 0.454 0.000 0.193 697 D C 1.672 178.017 176.300 0.074 0.000 0.998 697 D CA 0.729 54.788 54.000 0.098 0.000 0.836 697 D CB -0.513 40.353 40.800 0.110 0.000 0.951 697 D HN 0.341 nan 8.370 nan 0.000 0.449 698 F N 0.898 120.836 119.950 -0.019 0.000 2.102 698 F HA -0.214 4.285 4.527 -0.048 0.000 0.298 698 F C 2.183 177.920 175.800 -0.105 0.000 1.105 698 F CA 1.038 59.008 58.000 -0.051 0.000 1.239 698 F CB -0.303 38.666 39.000 -0.052 0.000 0.991 698 F HN -0.193 nan 8.300 nan 0.000 0.474 699 V N 0.869 120.794 119.914 0.019 0.000 2.324 699 V HA -0.359 4.034 4.120 0.454 0.000 0.250 699 V C 2.381 178.257 176.094 -0.363 0.000 1.060 699 V CA 2.411 64.564 62.300 -0.245 0.000 1.042 699 V CB -0.730 30.957 31.823 -0.227 0.000 0.650 699 V HN 0.325 nan 8.190 nan 0.000 0.450 700 K N -0.609 119.668 120.400 -0.205 0.000 2.026 700 K HA -0.126 4.466 4.320 0.454 0.000 0.208 700 K C 2.037 178.525 176.600 -0.187 0.000 1.048 700 K CA 1.464 57.658 56.287 -0.154 0.000 0.929 700 K CB -0.393 32.069 32.500 -0.062 0.000 0.713 700 K HN 0.318 nan 8.250 nan 0.000 0.439 701 V N 0.674 120.451 119.914 -0.227 0.000 2.237 701 V HA -0.273 4.120 4.120 0.454 0.000 0.245 701 V C 2.373 178.287 176.094 -0.299 0.000 1.046 701 V CA 2.119 64.280 62.300 -0.232 0.000 1.007 701 V CB -0.576 31.108 31.823 -0.233 0.000 0.638 701 V HN 0.408 nan 8.190 nan 0.000 0.445 702 S N 0.980 116.376 115.700 -0.506 0.000 2.372 702 S HA -0.261 4.481 4.470 0.454 0.000 0.227 702 S C 2.179 176.614 174.600 -0.276 0.000 1.044 702 S CA 2.468 60.376 58.200 -0.487 0.000 1.050 702 S CB -0.565 62.150 63.200 -0.808 0.000 0.901 702 S HN 0.825 nan 8.310 nan 0.000 0.447 703 S N 0.259 115.791 115.700 -0.279 0.000 2.500 703 S HA -0.052 4.691 4.470 0.454 0.000 0.239 703 S C 1.716 176.278 174.600 -0.064 0.000 0.989 703 S CA 0.931 59.041 58.200 -0.150 0.000 0.951 703 S CB -0.510 62.572 63.200 -0.197 0.000 0.759 703 S HN 0.741 nan 8.310 nan 0.000 0.523 704 Q N 0.443 120.189 119.800 -0.091 0.000 2.354 704 Q HA 0.171 4.784 4.340 0.454 0.000 0.203 704 Q C 1.717 177.687 176.000 -0.048 0.000 0.933 704 Q CA 0.766 56.537 55.803 -0.054 0.000 0.901 704 Q CB 0.007 28.711 28.738 -0.057 0.000 1.007 704 Q HN 0.494 nan 8.270 nan 0.000 0.495 705 K N -0.585 119.773 120.400 -0.069 0.000 2.284 705 K HA 0.085 4.678 4.320 0.454 0.000 0.198 705 K C 0.704 177.283 176.600 -0.034 0.000 1.048 705 K CA 0.601 56.856 56.287 -0.053 0.000 0.987 705 K CB 0.793 33.251 32.500 -0.070 0.000 0.800 705 K HN -0.046 nan 8.250 nan 0.000 0.486 706 T N -0.723 113.812 114.554 -0.031 0.000 2.838 706 T HA 0.281 4.904 4.350 0.454 0.000 0.292 706 T C -1.021 173.689 174.700 0.017 0.000 1.113 706 T CA -0.840 61.255 62.100 -0.010 0.000 1.008 706 T CB 1.250 70.110 68.868 -0.014 0.000 1.259 706 T HN 0.165 nan 8.240 nan 0.000 0.520 707 T N 0.400 114.969 114.554 0.025 0.000 2.910 707 T HA 0.339 4.962 4.350 0.454 0.000 0.293 707 T C 1.308 176.051 174.700 0.072 0.000 1.015 707 T CA -0.510 61.613 62.100 0.039 0.000 1.094 707 T CB 1.129 70.009 68.868 0.020 0.000 0.968 707 T HN 0.782 nan 8.240 nan 0.000 0.521 708 K N 1.851 122.302 120.400 0.085 0.000 2.059 708 K HA -0.105 4.487 4.320 0.454 0.000 0.212 708 K C -0.857 175.798 176.600 0.092 0.000 1.050 708 K CA 1.754 58.117 56.287 0.128 0.000 0.927 708 K CB -1.246 31.240 32.500 -0.024 0.000 0.714 708 K HN 0.474 nan 8.250 nan 0.000 0.447 709 P HA -0.149 nan 4.420 nan 0.000 0.218 709 P C 0.781 178.097 177.300 0.027 0.000 1.148 709 P CA 1.358 64.468 63.100 0.016 0.000 0.822 709 P CB 0.032 31.735 31.700 0.005 0.000 0.784 710 Q N -1.267 118.557 119.800 0.040 0.000 2.079 710 Q HA -0.082 4.531 4.340 0.454 0.000 0.200 710 Q C 1.943 177.976 176.000 0.054 0.000 0.974 710 Q CA 1.759 57.585 55.803 0.038 0.000 0.840 710 Q CB -0.626 28.131 28.738 0.033 0.000 0.898 710 Q HN 0.226 nan 8.270 nan 0.000 0.430 711 T N 0.636 115.245 114.554 0.092 0.000 2.904 711 T HA -0.115 4.508 4.350 0.454 0.000 0.267 711 T C 1.590 176.354 174.700 0.108 0.000 1.059 711 T CA 1.019 63.184 62.100 0.109 0.000 1.137 711 T CB -0.028 68.879 68.868 0.066 0.000 0.879 711 T HN 0.204 nan 8.240 nan 0.000 0.467 712 K N 1.148 121.600 120.400 0.087 0.000 2.057 712 K HA -0.080 4.513 4.320 0.454 0.000 0.206 712 K C 2.159 178.501 176.600 -0.431 0.000 1.050 712 K CA 1.213 57.431 56.287 -0.116 0.000 0.935 712 K CB 0.024 32.478 32.500 -0.077 0.000 0.715 712 K HN 0.348 nan 8.250 nan 0.000 0.439 713 E N 0.040 120.126 120.200 -0.190 0.000 2.106 713 E HA -0.187 4.436 4.350 0.454 0.000 0.192 713 E C 1.936 178.484 176.600 -0.087 0.000 0.984 713 E CA 1.225 57.552 56.400 -0.121 0.000 0.806 713 E CB -0.001 29.691 29.700 -0.014 0.000 0.750 713 E HN 0.218 nan 8.360 nan 0.000 0.458 714 M N 0.225 119.801 119.600 -0.040 0.000 2.132 714 M HA -0.132 4.620 4.480 0.454 0.000 0.263 714 M C 2.179 178.380 176.300 -0.165 0.000 1.065 714 M CA 1.341 56.627 55.300 -0.023 0.000 1.122 714 M CB -0.071 32.655 32.600 0.210 0.000 1.365 714 M HN 0.123 nan 8.290 nan 0.000 0.411 715 M N -1.095 118.439 119.600 -0.109 0.000 2.080 715 M HA -0.288 4.464 4.480 0.454 0.000 0.260 715 M C 1.909 178.163 176.300 -0.076 0.000 1.068 715 M CA 2.005 57.232 55.300 -0.122 0.000 1.109 715 M CB -0.425 32.160 32.600 -0.026 0.000 1.342 715 M HN 0.390 nan 8.290 nan 0.000 0.405 716 H N -0.635 118.393 119.070 -0.071 0.000 2.387 716 H HA -0.142 4.695 4.556 0.467 0.000 0.299 716 H C 2.139 177.389 175.328 -0.130 0.000 1.090 716 H CA 1.623 57.623 56.048 -0.080 0.000 1.332 716 H CB -0.130 29.611 29.762 -0.034 0.000 1.386 716 H HN 0.442 nan 8.280 nan 0.000 0.516 717 M N -0.040 119.545 119.600 -0.025 0.000 2.059 717 M HA -0.225 4.528 4.480 0.454 0.000 0.259 717 M C 2.833 178.998 176.300 -0.225 0.000 1.072 717 M CA 1.220 56.456 55.300 -0.107 0.000 1.117 717 M CB -0.535 31.998 32.600 -0.111 0.000 1.320 717 M HN 0.408 nan 8.290 nan 0.000 0.408 718 C N 1.069 120.144 119.300 -0.376 0.000 2.391 718 C HA -0.226 4.506 4.460 0.454 0.000 0.276 718 C C 2.769 177.313 174.990 -0.744 0.000 1.217 718 C CA 1.373 60.025 59.018 -0.609 0.000 1.766 718 C CB -0.766 26.496 27.740 -0.795 0.000 2.046 718 C HN 0.541 nan 8.230 nan 0.000 0.475 719 M N -0.644 118.672 119.600 -0.474 0.000 2.229 719 M HA -0.069 4.684 4.480 0.454 0.000 0.264 719 M C 2.354 178.587 176.300 -0.112 0.000 1.063 719 M CA 1.396 56.536 55.300 -0.266 0.000 1.114 719 M CB -0.434 32.116 32.600 -0.084 0.000 1.387 719 M HN 0.357 nan 8.290 nan 0.000 0.420 720 R N 0.181 120.612 120.500 -0.115 0.000 2.307 720 R HA 0.026 4.639 4.340 0.454 0.000 0.199 720 R C 0.251 176.529 176.300 -0.037 0.000 1.000 720 R CA 0.189 56.255 56.100 -0.057 0.000 1.023 720 R CB -0.065 30.206 30.300 -0.048 0.000 0.908 720 R HN 0.526 nan 8.270 nan 0.000 0.473 721 Q N 0.993 120.754 119.800 -0.066 0.000 2.286 721 Q HA -0.079 4.534 4.340 0.454 0.000 0.290 721 Q C 0.836 176.886 176.000 0.083 0.000 1.049 721 Q CA 0.217 56.021 55.803 0.002 0.000 0.923 721 Q CB 0.694 29.430 28.738 -0.004 0.000 1.183 721 Q HN 0.286 nan 8.270 nan 0.000 0.383 722 E N 1.313 121.549 120.200 0.061 0.000 2.114 722 E HA -0.268 4.354 4.350 0.454 0.000 0.199 722 E C 1.693 178.339 176.600 0.078 0.000 1.008 722 E CA 2.083 58.518 56.400 0.059 0.000 0.810 722 E CB -0.383 29.341 29.700 0.041 0.000 0.739 722 E HN 0.788 nan 8.360 nan 0.000 0.456 723 T N -1.485 113.129 114.554 0.100 0.000 2.962 723 T HA -0.144 4.479 4.350 0.454 0.000 0.270 723 T C 1.673 176.388 174.700 0.027 0.000 1.088 723 T CA 0.891 63.026 62.100 0.059 0.000 1.127 723 T CB -0.306 68.595 68.868 0.055 0.000 0.883 723 T HN 0.157 nan 8.240 nan 0.000 0.493 724 Y N 0.306 120.591 120.300 -0.025 0.000 2.347 724 Y HA 0.338 5.175 4.550 0.478 0.000 0.294 724 Y C 2.648 178.530 175.900 -0.030 0.000 1.117 724 Y CA 0.340 58.420 58.100 -0.034 0.000 1.184 724 Y CB -0.107 38.323 38.460 -0.051 0.000 1.047 724 Y HN 0.067 nan 8.280 nan 0.000 0.546 725 M N -0.362 119.313 119.600 0.124 0.000 2.200 725 M HA -0.153 4.599 4.480 0.454 0.000 0.265 725 M C 1.964 178.278 176.300 0.022 0.000 1.066 725 M CA 1.396 56.726 55.300 0.049 0.000 1.127 725 M CB -0.692 31.927 32.600 0.032 0.000 1.379 725 M HN 0.319 nan 8.290 nan 0.000 0.420 726 E N 0.187 120.409 120.200 0.037 0.000 2.028 726 E HA -0.104 4.518 4.350 0.454 0.000 0.191 726 E C 2.010 178.622 176.600 0.020 0.000 0.988 726 E CA 1.259 57.682 56.400 0.038 0.000 0.799 726 E CB 0.128 29.852 29.700 0.041 0.000 0.755 726 E HN 0.409 nan 8.360 nan 0.000 0.447 727 A N 1.074 123.887 122.820 -0.013 0.000 1.908 727 A HA -0.145 4.448 4.320 0.454 0.000 0.218 727 A C 2.082 179.661 177.584 -0.008 0.000 1.181 727 A CA 1.146 53.159 52.037 -0.040 0.000 0.627 727 A CB -0.553 18.364 19.000 -0.139 0.000 0.818 727 A HN 0.219 nan 8.150 nan 0.000 0.445 728 L N -0.176 121.054 121.223 0.011 0.000 2.612 728 L HA 0.139 4.752 4.340 0.454 0.000 0.230 728 L C 0.046 177.001 176.870 0.142 0.000 1.140 728 L CA -0.218 54.667 54.840 0.075 0.000 0.896 728 L CB 0.011 42.114 42.059 0.075 0.000 1.065 728 L HN 0.146 nan 8.230 nan 0.000 0.447 729 S N -1.783 113.935 115.700 0.030 0.000 2.568 729 S HA 0.494 5.237 4.470 0.454 0.000 0.293 729 S C -0.623 173.910 174.600 -0.112 0.000 1.089 729 S CA -0.556 57.577 58.200 -0.112 0.000 0.945 729 S CB 1.156 64.119 63.200 -0.395 0.000 1.077 729 S HN 0.265 nan 8.310 nan 0.000 0.485 730 H N 0.430 119.541 119.070 0.069 0.000 2.765 730 H HA -0.133 4.697 4.556 0.456 0.000 0.332 730 H C -0.629 174.708 175.328 0.016 0.000 1.180 730 H CA 0.888 56.954 56.048 0.030 0.000 1.142 730 H CB -2.171 27.617 29.762 0.043 0.000 1.576 730 H HN 0.618 nan 8.280 nan 0.000 0.420 731 L N -2.396 118.856 121.223 0.048 0.000 2.397 731 L HA 0.669 5.282 4.340 0.454 0.000 0.251 731 L C -0.214 176.643 176.870 -0.022 0.000 1.064 731 L CA -1.310 53.548 54.840 0.029 0.000 0.859 731 L CB 2.013 44.082 42.059 0.017 0.000 1.468 731 L HN 0.016 nan 8.230 nan 0.000 0.411 732 Q N 1.113 120.930 119.800 0.029 0.000 2.256 732 Q HA 0.334 4.947 4.340 0.454 0.000 0.254 732 Q C -0.380 175.610 176.000 -0.017 0.000 0.916 732 Q CA -0.485 55.326 55.803 0.012 0.000 0.932 732 Q CB 1.827 30.620 28.738 0.093 0.000 1.207 732 Q HN 0.668 nan 8.270 nan 0.000 0.426 733 S N 3.164 118.817 115.700 -0.078 0.000 2.516 733 S HA 0.088 4.830 4.470 0.454 0.000 0.282 733 S C -1.782 172.814 174.600 -0.008 0.000 1.286 733 S CA -1.237 56.918 58.200 -0.075 0.000 1.066 733 S CB 0.472 63.620 63.200 -0.088 0.000 0.884 733 S HN 0.392 nan 8.310 nan 0.000 0.491 734 P HA -0.008 nan 4.420 nan 0.000 0.222 734 P C 1.048 178.420 177.300 0.119 0.000 1.147 734 P CA 0.806 63.952 63.100 0.077 0.000 0.790 734 P CB 0.057 31.572 31.700 -0.308 0.000 0.780 735 L N -1.630 119.646 121.223 0.088 0.000 2.465 735 L HA -0.005 4.608 4.340 0.454 0.000 0.224 735 L C 0.285 177.342 176.870 0.311 0.000 1.145 735 L CA 0.867 55.827 54.840 0.201 0.000 0.834 735 L CB -0.338 41.797 42.059 0.127 0.000 0.944 735 L HN 0.019 nan 8.230 nan 0.000 0.451 736 D N -1.847 118.646 120.400 0.155 0.000 2.087 736 D HA 0.037 4.949 4.640 0.454 0.000 0.161 736 D C -2.372 173.877 176.300 -0.086 0.000 1.196 736 D CA -0.807 53.266 54.000 0.122 0.000 0.916 736 D CB 1.122 41.994 40.800 0.120 0.000 2.216 736 D HN -0.303 nan 8.370 nan 0.000 0.512 737 P HA -0.005 nan 4.420 nan 0.000 0.237 737 P C 0.795 178.088 177.300 -0.011 0.000 1.178 737 P CA 0.420 63.364 63.100 -0.259 0.000 0.766 737 P CB 0.136 31.539 31.700 -0.495 0.000 0.876 738 S N -2.576 113.129 115.700 0.009 0.000 2.548 738 S HA 0.081 4.823 4.470 0.454 0.000 0.215 738 S C 0.826 175.402 174.600 -0.041 0.000 0.976 738 S CA -0.080 58.163 58.200 0.072 0.000 0.908 738 S CB -1.013 62.233 63.200 0.076 0.000 0.781 738 S HN -0.030 nan 8.310 nan 0.000 0.519 739 T N 3.581 118.100 114.554 -0.058 0.000 2.728 739 T HA 0.477 5.100 4.350 0.454 0.000 0.296 739 T C -0.369 174.252 174.700 -0.132 0.000 0.940 739 T CA -0.408 61.636 62.100 -0.093 0.000 1.013 739 T CB 0.702 69.532 68.868 -0.062 0.000 0.912 739 T HN 0.267 nan 8.240 nan 0.000 0.484 740 L N 4.675 125.793 121.223 -0.174 0.000 2.265 740 L HA 0.429 5.041 4.340 0.454 0.000 0.288 740 L C -0.087 176.667 176.870 -0.194 0.000 1.058 740 L CA -0.701 54.026 54.840 -0.187 0.000 0.809 740 L CB 0.610 42.534 42.059 -0.226 0.000 1.179 740 L HN 0.438 nan 8.230 nan 0.000 0.429 741 L N 4.117 125.168 121.223 -0.286 0.000 2.270 741 L HA 0.263 4.875 4.340 0.454 0.000 0.286 741 L C 0.806 177.528 176.870 -0.246 0.000 1.059 741 L CA -0.404 54.106 54.840 -0.550 0.000 0.839 741 L CB 0.721 42.018 42.059 -1.269 0.000 1.221 741 L HN 0.638 nan 8.230 nan 0.000 0.431 742 E N 2.456 122.655 120.200 -0.001 0.000 2.040 742 E HA 0.070 4.693 4.350 0.454 0.000 0.205 742 E C 0.126 176.774 176.600 0.080 0.000 0.936 742 E CA 0.553 57.034 56.400 0.135 0.000 0.900 742 E CB 0.248 30.052 29.700 0.174 0.000 0.889 742 E HN 0.499 nan 8.360 nan 0.000 0.503 743 E N 1.926 122.206 120.200 0.134 0.000 2.115 743 E HA 0.230 4.853 4.350 0.454 0.000 0.282 743 E C -0.122 176.493 176.600 0.024 0.000 0.987 743 E CA -0.449 55.971 56.400 0.035 0.000 0.797 743 E CB 1.993 31.716 29.700 0.038 0.000 1.086 743 E HN -0.039 nan 8.360 nan 0.000 0.397 744 V N 3.233 123.059 119.914 -0.147 0.000 2.529 744 V HA -0.024 4.369 4.120 0.454 0.000 0.292 744 V C -0.210 175.729 176.094 -0.258 0.000 1.028 744 V CA -0.494 61.513 62.300 -0.489 0.000 1.074 744 V CB 0.028 31.520 31.823 -0.551 0.000 0.958 744 V HN 0.795 nan 8.190 nan 0.000 0.481 745 C N 7.305 126.462 119.300 -0.238 0.000 2.210 745 C HA 0.230 4.962 4.460 0.454 0.000 0.377 745 C C 1.848 176.729 174.990 -0.182 0.000 1.037 745 C CA -0.745 58.181 59.018 -0.152 0.000 1.405 745 C CB -1.539 26.147 27.740 -0.089 0.000 1.802 745 C HN 0.862 nan 8.230 nan 0.000 0.495 746 V N 2.311 122.099 119.914 -0.209 0.000 2.278 746 V HA -0.239 4.153 4.120 0.454 0.000 0.251 746 V C 2.528 178.301 176.094 -0.534 0.000 1.062 746 V CA 1.895 64.019 62.300 -0.293 0.000 1.038 746 V CB -0.311 31.357 31.823 -0.259 0.000 0.646 746 V HN 0.741 nan 8.190 nan 0.000 0.447 747 E N -0.400 119.559 120.200 -0.402 0.000 2.265 747 E HA -0.209 4.414 4.350 0.454 0.000 0.196 747 E C 2.214 178.713 176.600 -0.168 0.000 0.996 747 E CA 1.083 57.258 56.400 -0.375 0.000 0.832 747 E CB -0.111 29.493 29.700 -0.160 0.000 0.756 747 E HN 0.706 nan 8.360 nan 0.000 0.491 748 Q N -0.943 118.808 119.800 -0.082 0.000 2.396 748 Q HA 0.060 4.673 4.340 0.454 0.000 0.209 748 Q C 0.501 176.623 176.000 0.203 0.000 0.906 748 Q CA -0.087 55.758 55.803 0.069 0.000 0.927 748 Q CB 0.635 29.419 28.738 0.075 0.000 1.069 748 Q HN 0.146 nan 8.270 nan 0.000 0.523 749 C N 0.650 120.061 119.300 0.185 0.000 2.605 749 C HA 0.463 5.196 4.460 0.454 0.000 0.404 749 C C 0.949 176.189 174.990 0.416 0.000 1.284 749 C CA -0.190 59.018 59.018 0.316 0.000 2.199 749 C CB 0.742 28.601 27.740 0.198 0.000 2.647 749 C HN 0.348 nan 8.230 nan 0.000 0.604 750 T N 0.432 115.212 114.554 0.376 0.000 2.627 750 T HA 0.711 5.333 4.350 0.454 0.000 0.294 750 T C -1.719 173.207 174.700 0.376 0.000 1.230 750 T CA -0.422 61.840 62.100 0.270 0.000 1.084 750 T CB 0.562 69.444 68.868 0.024 0.000 1.693 750 T HN 0.787 nan 8.240 nan 0.000 0.465 751 F N 0.202 120.217 119.950 0.108 0.000 2.599 751 F HA 0.852 5.660 4.527 0.468 0.000 0.311 751 F C -0.744 175.092 175.800 0.061 0.000 1.076 751 F CA -1.374 56.702 58.000 0.127 0.000 0.937 751 F CB 1.308 40.374 39.000 0.109 0.000 1.282 751 F HN 0.502 nan 8.300 nan 0.000 0.460 752 M N 1.751 121.424 119.600 0.121 0.000 2.359 752 M HA 0.258 5.011 4.480 0.454 0.000 0.322 752 M C -0.318 176.003 176.300 0.035 0.000 1.166 752 M CA -0.386 54.904 55.300 -0.017 0.000 1.067 752 M CB 0.721 33.370 32.600 0.081 0.000 1.523 752 M HN 0.541 nan 8.290 nan 0.000 0.467 753 D N 1.324 121.697 120.400 -0.044 0.000 2.881 753 D HA 0.134 5.046 4.640 0.454 0.000 0.240 753 D C -0.328 176.003 176.300 0.052 0.000 1.249 753 D CA 0.136 54.138 54.000 0.004 0.000 0.839 753 D CB -0.033 40.729 40.800 -0.065 0.000 1.042 753 D HN 0.552 nan 8.370 nan 0.000 0.475 754 S N -1.473 114.278 115.700 0.086 0.000 2.689 754 S HA 0.328 5.070 4.470 0.454 0.000 0.306 754 S C 1.207 175.857 174.600 0.082 0.000 1.104 754 S CA -0.880 57.362 58.200 0.069 0.000 0.973 754 S CB 2.941 66.177 63.200 0.060 0.000 1.121 754 S HN -0.042 nan 8.310 nan 0.000 0.523 755 K N -0.202 120.235 120.400 0.061 0.000 2.071 755 K HA -0.179 4.413 4.320 0.454 0.000 0.217 755 K C 1.435 178.071 176.600 0.059 0.000 1.054 755 K CA 2.033 58.352 56.287 0.053 0.000 0.937 755 K CB -0.356 32.170 32.500 0.042 0.000 0.719 755 K HN 0.606 nan 8.250 nan 0.000 0.454 756 M N 1.258 120.896 119.600 0.062 0.000 2.659 756 M HA 0.012 4.764 4.480 0.454 0.000 0.243 756 M C -0.220 176.137 176.300 0.094 0.000 1.111 756 M CA 0.745 56.082 55.300 0.062 0.000 1.070 756 M CB -0.311 32.316 32.600 0.044 0.000 1.525 756 M HN 0.079 nan 8.290 nan 0.000 0.517 757 K N -0.593 119.889 120.400 0.137 0.000 3.419 757 K HA -0.138 4.455 4.320 0.454 0.000 0.272 757 K C -2.564 174.188 176.600 0.252 0.000 0.973 757 K CA 0.218 56.644 56.287 0.232 0.000 0.749 757 K CB -2.050 30.525 32.500 0.126 0.000 1.403 757 K HN 0.271 nan 8.250 nan 0.000 0.456 758 P HA 0.090 nan 4.420 nan 0.000 0.268 758 P C 0.634 178.135 177.300 0.334 0.000 1.205 758 P CA -0.113 63.129 63.100 0.236 0.000 0.771 758 P CB 0.592 32.397 31.700 0.176 0.000 0.858 759 L N 2.245 123.689 121.223 0.369 0.000 2.399 759 L HA 0.406 5.019 4.340 0.454 0.000 0.266 759 L C 0.253 177.359 176.870 0.393 0.000 1.114 759 L CA -0.374 54.699 54.840 0.389 0.000 0.804 759 L CB 0.944 43.206 42.059 0.340 0.000 1.146 759 L HN 0.444 nan 8.230 nan 0.000 0.451 760 W N 5.276 126.677 121.300 0.169 0.000 2.338 760 W HA 0.407 5.337 4.660 0.449 0.000 0.315 760 W C -1.726 174.846 176.519 0.088 0.000 1.005 760 W CA -0.635 56.779 57.345 0.114 0.000 1.380 760 W CB 1.292 30.799 29.460 0.078 0.000 1.235 760 W HN 0.221 nan 8.180 nan 0.000 0.409 761 I N 7.462 127.956 120.570 -0.125 0.000 2.362 761 I HA 0.305 4.748 4.170 0.454 0.000 0.289 761 I C 0.109 176.087 176.117 -0.231 0.000 0.994 761 I CA -1.091 60.139 61.300 -0.116 0.000 1.158 761 I CB 1.346 39.327 38.000 -0.033 0.000 1.315 761 I HN 0.249 nan 8.210 nan 0.000 0.451 762 M N 6.391 125.853 119.600 -0.230 0.000 2.363 762 M HA 0.449 5.202 4.480 0.454 0.000 0.343 762 M C -1.048 175.072 176.300 -0.300 0.000 1.165 762 M CA -0.549 54.647 55.300 -0.172 0.000 1.046 762 M CB 1.497 34.071 32.600 -0.043 0.000 1.648 762 M HN 0.308 nan 8.290 nan 0.000 0.452 763 Y N -0.093 120.171 120.300 -0.060 0.000 2.477 763 Y HA 0.531 5.356 4.550 0.458 0.000 0.347 763 Y C 0.265 176.144 175.900 -0.034 0.000 0.981 763 Y CA -0.592 57.479 58.100 -0.048 0.000 1.033 763 Y CB 2.219 40.647 38.460 -0.055 0.000 1.245 763 Y HN 0.726 nan 8.280 nan 0.000 0.455 764 S N 0.605 116.391 115.700 0.143 0.000 2.638 764 S HA 0.843 5.585 4.470 0.454 0.000 0.302 764 S C -0.896 173.753 174.600 0.082 0.000 1.096 764 S CA -0.784 57.465 58.200 0.083 0.000 0.953 764 S CB 1.948 65.175 63.200 0.045 0.000 1.107 764 S HN 0.594 nan 8.310 nan 0.000 0.503 765 S N 0.058 115.786 115.700 0.046 0.000 2.614 765 S HA 0.343 5.086 4.470 0.454 0.000 0.288 765 S C 0.430 175.041 174.600 0.017 0.000 1.137 765 S CA -0.647 57.574 58.200 0.034 0.000 0.992 765 S CB 1.191 64.394 63.200 0.006 0.000 1.026 765 S HN 0.796 nan 8.310 nan 0.000 0.486 766 E N 2.677 122.892 120.200 0.024 0.000 2.031 766 E HA -0.190 4.433 4.350 0.454 0.000 0.193 766 E C 1.301 177.900 176.600 -0.001 0.000 0.994 766 E CA 1.242 57.650 56.400 0.013 0.000 0.800 766 E CB -0.153 29.559 29.700 0.021 0.000 0.752 766 E HN 0.724 nan 8.360 nan 0.000 0.447 767 E N 1.119 121.316 120.200 -0.003 0.000 2.110 767 E HA -0.142 4.480 4.350 0.454 0.000 0.193 767 E C 1.780 178.360 176.600 -0.033 0.000 0.988 767 E CA 1.428 57.818 56.400 -0.016 0.000 0.804 767 E CB -0.206 29.481 29.700 -0.022 0.000 0.745 767 E HN 0.268 nan 8.360 nan 0.000 0.458 768 A N -0.452 122.344 122.820 -0.040 0.000 2.072 768 A HA 0.370 4.962 4.320 0.454 0.000 0.216 768 A C 1.601 179.154 177.584 -0.051 0.000 1.156 768 A CA 1.229 53.232 52.037 -0.056 0.000 0.701 768 A CB -0.809 18.154 19.000 -0.061 0.000 0.816 768 A HN 0.456 nan 8.150 nan 0.000 0.458 769 G N -0.650 108.126 108.800 -0.040 0.000 2.574 769 G HA2 -0.350 3.883 3.960 0.454 0.000 0.286 769 G HA3 -0.350 3.883 3.960 0.454 0.000 0.286 769 G C 1.197 176.081 174.900 -0.027 0.000 1.212 769 G CA 0.631 45.703 45.100 -0.047 0.000 0.979 769 G HN 0.658 nan 8.290 nan 0.000 0.557 770 S N 0.383 116.062 115.700 -0.034 0.000 2.359 770 S HA -0.054 4.688 4.470 0.454 0.000 0.222 770 S C 2.695 177.312 174.600 0.028 0.000 1.038 770 S CA 2.724 60.927 58.200 0.006 0.000 1.051 770 S CB -0.710 62.491 63.200 0.002 0.000 0.944 770 S HN 1.808 nan 8.310 nan 0.000 0.433 771 A N 0.569 123.401 122.820 0.020 0.000 2.255 771 A HA 0.293 4.886 4.320 0.454 0.000 0.206 771 A C 1.729 179.315 177.584 0.004 0.000 1.193 771 A CA 0.917 52.975 52.037 0.036 0.000 0.794 771 A CB -0.650 18.388 19.000 0.064 0.000 0.794 771 A HN 0.504 nan 8.150 nan 0.000 0.481 772 G N -0.669 108.129 108.800 -0.003 0.000 3.042 772 G HA2 0.044 4.277 3.960 0.454 0.000 0.212 772 G HA3 0.044 4.277 3.960 0.454 0.000 0.212 772 G C 0.167 175.080 174.900 0.023 0.000 1.166 772 G CA -0.342 44.755 45.100 -0.005 0.000 0.767 772 G HN 0.389 nan 8.290 nan 0.000 0.546 773 N N 1.304 120.024 118.700 0.033 0.000 2.521 773 N HA 0.377 5.389 4.740 0.454 0.000 0.236 773 N C -0.379 175.151 175.510 0.033 0.000 1.067 773 N CA -0.029 53.047 53.050 0.044 0.000 0.939 773 N CB 1.684 40.203 38.487 0.052 0.000 1.201 773 N HN 0.149 nan 8.380 nan 0.000 0.511 774 V N -1.220 118.716 119.914 0.037 0.000 2.962 774 V HA 1.019 5.412 4.120 0.454 0.000 0.313 774 V C 0.319 176.414 176.094 0.001 0.000 1.099 774 V CA -1.029 61.277 62.300 0.009 0.000 0.971 774 V CB 1.835 33.658 31.823 0.000 0.000 1.028 774 V HN 0.409 nan 8.190 nan 0.000 0.430 775 G N 2.135 110.876 108.800 -0.099 0.000 2.563 775 G HA2 0.828 5.060 3.960 0.454 0.000 0.302 775 G HA3 0.828 5.060 3.960 0.454 0.000 0.302 775 G C -1.052 173.716 174.900 -0.221 0.000 1.301 775 G CA -0.713 44.244 45.100 -0.239 0.000 0.965 775 G HN 1.538 nan 8.290 nan 0.000 0.480 776 I N -1.687 118.767 120.570 -0.194 0.000 2.934 776 I HA 0.754 5.197 4.170 0.454 0.000 0.306 776 I C -1.289 174.746 176.117 -0.136 0.000 1.110 776 I CA -1.555 59.679 61.300 -0.110 0.000 1.019 776 I CB 2.624 40.644 38.000 0.032 0.000 1.227 776 I HN 0.283 nan 8.210 nan 0.000 0.434 777 I N 3.908 124.458 120.570 -0.033 0.000 2.382 777 I HA 0.352 4.795 4.170 0.454 0.000 0.286 777 I C -0.978 175.233 176.117 0.157 0.000 1.002 777 I CA -0.453 60.892 61.300 0.075 0.000 1.135 777 I CB 1.748 39.803 38.000 0.092 0.000 1.288 777 I HN 0.472 nan 8.210 nan 0.000 0.448 778 F N 7.518 127.510 119.950 0.070 0.000 2.404 778 F HA 0.519 5.319 4.527 0.455 0.000 0.339 778 F C -0.293 175.554 175.800 0.078 0.000 1.105 778 F CA -0.180 57.858 58.000 0.062 0.000 1.087 778 F CB 0.683 39.724 39.000 0.069 0.000 1.143 778 F HN 0.264 nan 8.300 nan 0.000 0.491 779 K N 4.725 124.748 120.400 -0.629 0.000 2.541 779 K HA 0.241 4.834 4.320 0.454 0.000 0.250 779 K C -1.842 174.404 176.600 -0.590 0.000 0.950 779 K CA -0.830 55.230 56.287 -0.378 0.000 0.805 779 K CB 1.784 34.175 32.500 -0.181 0.000 1.166 779 K HN 0.742 nan 8.250 nan 0.000 0.430 780 N N 1.076 119.592 118.700 -0.306 0.000 2.410 780 N HA 0.495 5.507 4.740 0.454 0.000 0.287 780 N C 0.195 175.671 175.510 -0.057 0.000 1.044 780 N CA 0.519 53.456 53.050 -0.188 0.000 0.881 780 N CB 1.658 40.134 38.487 -0.019 0.000 1.405 780 N HN 0.687 nan 8.380 nan 0.000 0.490 781 G N 2.464 111.229 108.800 -0.059 0.000 2.699 781 G HA2 -0.170 4.063 3.960 0.454 0.000 0.198 781 G HA3 -0.170 4.063 3.960 0.454 0.000 0.198 781 G C -0.815 174.072 174.900 -0.023 0.000 1.033 781 G CA -0.309 44.778 45.100 -0.023 0.000 0.728 781 G HN 0.591 nan 8.290 nan 0.000 0.484 782 D N 1.213 121.591 120.400 -0.036 0.000 2.268 782 D HA 0.517 5.430 4.640 0.454 0.000 0.249 782 D C -0.856 175.423 176.300 -0.036 0.000 1.008 782 D CA -0.324 53.662 54.000 -0.023 0.000 0.939 782 D CB 1.696 42.489 40.800 -0.012 0.000 1.170 782 D HN 0.125 nan 8.370 nan 0.000 0.468 783 D N 0.766 121.153 120.400 -0.022 0.000 2.312 783 D HA 0.099 5.012 4.640 0.454 0.000 0.252 783 D C 0.483 176.766 176.300 -0.028 0.000 1.150 783 D CA -0.129 53.858 54.000 -0.022 0.000 0.870 783 D CB 0.831 41.626 40.800 -0.010 0.000 1.153 783 D HN 0.241 nan 8.370 nan 0.000 0.457 784 L N 3.631 124.834 121.223 -0.034 0.000 2.616 784 L HA 0.195 4.808 4.340 0.454 0.000 0.229 784 L C 2.259 179.105 176.870 -0.039 0.000 1.110 784 L CA -0.172 54.651 54.840 -0.029 0.000 0.884 784 L CB 0.137 42.177 42.059 -0.032 0.000 1.115 784 L HN 0.317 nan 8.230 nan 0.000 0.481 785 R N 0.180 120.649 120.500 -0.052 0.000 2.080 785 R HA -0.259 4.354 4.340 0.454 0.000 0.236 785 R C 2.115 178.337 176.300 -0.130 0.000 1.137 785 R CA 1.868 57.917 56.100 -0.083 0.000 0.943 785 R CB -0.398 29.859 30.300 -0.073 0.000 0.846 785 R HN 0.216 nan 8.270 nan 0.000 0.431 786 Q N 1.548 121.261 119.800 -0.144 0.000 2.082 786 Q HA -0.250 4.363 4.340 0.454 0.000 0.211 786 Q C 1.128 176.975 176.000 -0.254 0.000 1.002 786 Q CA 2.565 58.215 55.803 -0.255 0.000 0.868 786 Q CB -0.221 28.400 28.738 -0.195 0.000 0.931 786 Q HN 0.354 nan 8.270 nan 0.000 0.414 787 D N -0.367 119.986 120.400 -0.079 0.000 2.117 787 D HA -0.150 4.762 4.640 0.454 0.000 0.198 787 D C 1.806 178.101 176.300 -0.008 0.000 0.982 787 D CA 1.515 55.553 54.000 0.064 0.000 0.828 787 D CB -0.283 40.610 40.800 0.154 0.000 0.967 787 D HN 0.385 nan 8.370 nan 0.000 0.464 788 M N 0.151 119.719 119.600 -0.053 0.000 2.108 788 M HA -0.146 4.606 4.480 0.454 0.000 0.261 788 M C 1.872 178.089 176.300 -0.138 0.000 1.066 788 M CA 1.137 56.395 55.300 -0.071 0.000 1.107 788 M CB 0.011 32.573 32.600 -0.064 0.000 1.356 788 M HN 0.128 nan 8.290 nan 0.000 0.406 789 L N 0.395 121.500 121.223 -0.197 0.000 1.989 789 L HA -0.171 4.442 4.340 0.454 0.000 0.211 789 L C 2.153 178.879 176.870 -0.242 0.000 1.071 789 L CA 2.401 57.092 54.840 -0.248 0.000 0.749 789 L CB -1.173 40.702 42.059 -0.305 0.000 0.890 789 L HN 0.332 nan 8.230 nan 0.000 0.431 790 T N 0.109 114.473 114.554 -0.316 0.000 2.635 790 T HA -0.259 4.363 4.350 0.454 0.000 0.267 790 T C 1.968 176.502 174.700 -0.278 0.000 1.040 790 T CA 2.165 64.047 62.100 -0.363 0.000 1.156 790 T CB -0.584 67.920 68.868 -0.606 0.000 0.863 790 T HN 0.319 nan 8.240 nan 0.000 0.430 791 L N 0.524 121.636 121.223 -0.186 0.000 2.127 791 L HA -0.172 4.441 4.340 0.454 0.000 0.211 791 L C 2.897 179.686 176.870 -0.134 0.000 1.089 791 L CA 1.406 56.168 54.840 -0.129 0.000 0.757 791 L CB -0.500 41.477 42.059 -0.137 0.000 0.899 791 L HN 0.300 nan 8.230 nan 0.000 0.434 792 Q N -1.283 118.428 119.800 -0.147 0.000 2.123 792 Q HA -0.145 4.468 4.340 0.454 0.000 0.199 792 Q C 2.329 178.257 176.000 -0.120 0.000 0.966 792 Q CA 1.164 56.872 55.803 -0.158 0.000 0.845 792 Q CB 0.056 28.677 28.738 -0.195 0.000 0.907 792 Q HN 0.366 nan 8.270 nan 0.000 0.439 793 M N -0.094 119.464 119.600 -0.070 0.000 2.159 793 M HA -0.132 4.621 4.480 0.454 0.000 0.263 793 M C 2.070 178.390 176.300 0.034 0.000 1.063 793 M CA 1.418 56.757 55.300 0.065 0.000 1.110 793 M CB -0.705 32.007 32.600 0.186 0.000 1.374 793 M HN 0.260 nan 8.290 nan 0.000 0.411 794 I N -0.390 120.147 120.570 -0.055 0.000 2.179 794 I HA -0.312 4.130 4.170 0.454 0.000 0.242 794 I C 2.729 178.766 176.117 -0.134 0.000 1.088 794 I CA 1.149 62.390 61.300 -0.098 0.000 1.357 794 I CB -0.531 37.442 38.000 -0.045 0.000 1.051 794 I HN 0.357 nan 8.210 nan 0.000 0.409 795 Q N 0.696 120.433 119.800 -0.105 0.000 2.133 795 Q HA -0.253 4.360 4.340 0.454 0.000 0.208 795 Q C 2.388 178.291 176.000 -0.161 0.000 0.991 795 Q CA 1.829 57.565 55.803 -0.112 0.000 0.867 795 Q CB -0.376 28.292 28.738 -0.118 0.000 0.911 795 Q HN 0.550 nan 8.270 nan 0.000 0.417 796 L N -0.183 120.941 121.223 -0.164 0.000 2.017 796 L HA -0.231 4.382 4.340 0.454 0.000 0.208 796 L C 2.503 179.203 176.870 -0.285 0.000 1.073 796 L CA 1.132 55.849 54.840 -0.206 0.000 0.745 796 L CB -0.205 41.737 42.059 -0.195 0.000 0.894 796 L HN 0.341 nan 8.230 nan 0.000 0.432 797 M N -0.600 118.795 119.600 -0.342 0.000 2.080 797 M HA -0.299 4.453 4.480 0.454 0.000 0.260 797 M C 1.829 177.421 176.300 -1.180 0.000 1.068 797 M CA 2.303 57.068 55.300 -0.892 0.000 1.109 797 M CB -0.532 31.384 32.600 -1.140 0.000 1.342 797 M HN 0.238 nan 8.290 nan 0.000 0.405 798 D N -0.051 119.983 120.400 -0.611 0.000 2.104 798 D HA -0.146 4.766 4.640 0.454 0.000 0.194 798 D C 1.739 177.986 176.300 -0.088 0.000 0.994 798 D CA 1.364 55.287 54.000 -0.129 0.000 0.830 798 D CB 0.095 40.887 40.800 -0.013 0.000 0.959 798 D HN 0.093 nan 8.370 nan 0.000 0.452 799 V N 0.483 120.296 119.914 -0.168 0.000 2.343 799 V HA -0.228 4.165 4.120 0.454 0.000 0.247 799 V C 2.619 178.624 176.094 -0.149 0.000 1.051 799 V CA 1.319 63.535 62.300 -0.139 0.000 1.036 799 V CB -0.551 31.171 31.823 -0.169 0.000 0.654 799 V HN 0.322 nan 8.190 nan 0.000 0.451 800 L N -1.504 119.565 121.223 -0.258 0.000 1.989 800 L HA -0.199 4.414 4.340 0.454 0.000 0.211 800 L C 2.662 179.526 176.870 -0.010 0.000 1.071 800 L CA 1.967 56.665 54.840 -0.236 0.000 0.749 800 L CB -0.762 41.090 42.059 -0.346 0.000 0.890 800 L HN 0.388 nan 8.230 nan 0.000 0.431 801 W N 1.007 122.304 121.300 -0.005 0.000 2.317 801 W HA -0.214 4.718 4.660 0.454 0.000 0.318 801 W C 2.609 179.114 176.519 -0.025 0.000 1.227 801 W CA 1.137 58.476 57.345 -0.009 0.000 1.269 801 W CB -1.033 28.412 29.460 -0.026 0.000 1.155 801 W HN 0.169 nan 8.180 nan 0.000 0.484 802 K N 0.039 120.553 120.400 0.191 0.000 2.097 802 K HA -0.189 4.403 4.320 0.454 0.000 0.206 802 K C 1.946 178.567 176.600 0.035 0.000 1.049 802 K CA 1.529 57.863 56.287 0.078 0.000 0.933 802 K CB -0.512 32.006 32.500 0.029 0.000 0.717 802 K HN 0.223 nan 8.250 nan 0.000 0.442 803 Q N 0.459 120.270 119.800 0.019 0.000 2.439 803 Q HA -0.129 4.484 4.340 0.454 0.000 0.211 803 Q C 0.408 176.434 176.000 0.044 0.000 0.978 803 Q CA 0.846 56.654 55.803 0.008 0.000 0.897 803 Q CB 0.213 28.945 28.738 -0.011 0.000 0.956 803 Q HN 0.297 nan 8.270 nan 0.000 0.483 804 E N -0.782 119.466 120.200 0.080 0.000 2.569 804 E HA 0.149 4.771 4.350 0.454 0.000 0.205 804 E C 0.507 177.144 176.600 0.063 0.000 1.006 804 E CA 0.205 56.653 56.400 0.081 0.000 0.985 804 E CB 0.950 30.720 29.700 0.117 0.000 1.060 804 E HN 0.372 nan 8.360 nan 0.000 0.460 805 G N 2.059 110.887 108.800 0.046 0.000 2.225 805 G HA2 -0.292 3.941 3.960 0.454 0.000 0.267 805 G HA3 -0.292 3.941 3.960 0.454 0.000 0.267 805 G C -0.065 174.851 174.900 0.027 0.000 1.024 805 G CA 0.533 45.650 45.100 0.029 0.000 0.784 805 G HN 0.278 nan 8.290 nan 0.000 0.507 806 L N 0.875 122.127 121.223 0.049 0.000 2.277 806 L HA 0.670 5.283 4.340 0.454 0.000 0.284 806 L C -0.573 176.300 176.870 0.006 0.000 1.028 806 L CA -1.170 53.669 54.840 -0.000 0.000 0.835 806 L CB 1.546 43.585 42.059 -0.033 0.000 1.215 806 L HN 0.103 nan 8.230 nan 0.000 0.425 807 D N 4.956 125.324 120.400 -0.053 0.000 2.443 807 D HA 0.201 5.114 4.640 0.454 0.000 0.221 807 D C 0.405 176.637 176.300 -0.114 0.000 1.097 807 D CA -0.136 53.834 54.000 -0.051 0.000 0.865 807 D CB 0.813 41.569 40.800 -0.073 0.000 1.034 807 D HN 0.617 nan 8.370 nan 0.000 0.511 808 L N 3.811 124.972 121.223 -0.104 0.000 2.653 808 L HA 0.184 4.797 4.340 0.454 0.000 0.232 808 L C 0.713 177.567 176.870 -0.027 0.000 1.169 808 L CA -0.331 54.412 54.840 -0.162 0.000 0.951 808 L CB -0.207 41.662 42.059 -0.317 0.000 1.181 808 L HN 0.257 nan 8.230 nan 0.000 0.460 809 R N -1.168 119.336 120.500 0.007 0.000 3.422 809 R HA -0.163 4.449 4.340 0.454 0.000 0.267 809 R C 0.184 176.573 176.300 0.148 0.000 1.074 809 R CA 0.629 56.763 56.100 0.057 0.000 0.718 809 R CB -2.133 28.208 30.300 0.068 0.000 1.157 809 R HN 0.338 nan 8.270 nan 0.000 0.440 810 M N -0.013 119.683 119.600 0.161 0.000 2.061 810 M HA 0.080 4.833 4.480 0.454 0.000 0.266 810 M C 0.900 177.366 176.300 0.277 0.000 1.284 810 M CA 0.926 56.383 55.300 0.262 0.000 1.112 810 M CB 0.073 32.765 32.600 0.153 0.000 1.365 810 M HN 0.039 nan 8.290 nan 0.000 0.453 811 T N 2.303 117.083 114.554 0.377 0.000 3.198 811 T HA 0.321 4.944 4.350 0.454 0.000 0.352 811 T C -2.369 172.441 174.700 0.184 0.000 1.197 811 T CA -0.784 61.416 62.100 0.166 0.000 1.427 811 T CB 0.565 69.365 68.868 -0.114 0.000 0.983 811 T HN 0.361 nan 8.240 nan 0.000 0.560 812 P HA 0.182 nan 4.420 nan 0.000 0.225 812 P C -0.264 177.035 177.300 -0.003 0.000 1.813 812 P CA -0.566 62.557 63.100 0.038 0.000 1.013 812 P CB -1.038 30.675 31.700 0.023 0.000 1.961 813 Y N -0.586 119.725 120.300 0.018 0.000 2.597 813 Y HA 0.433 5.256 4.550 0.455 0.000 0.336 813 Y C 1.036 176.973 175.900 0.063 0.000 1.216 813 Y CA -1.099 57.007 58.100 0.010 0.000 1.463 813 Y CB -0.219 38.219 38.460 -0.036 0.000 1.303 813 Y HN 0.231 nan 8.280 nan 0.000 0.576 814 G N 1.622 110.529 108.800 0.179 0.000 2.474 814 G HA2 0.223 4.456 3.960 0.454 0.000 0.233 814 G HA3 0.223 4.456 3.960 0.454 0.000 0.233 814 G C -1.088 173.914 174.900 0.170 0.000 1.278 814 G CA -0.115 45.073 45.100 0.145 0.000 0.861 814 G HN 1.088 nan 8.290 nan 0.000 0.567 815 C N 3.426 122.791 119.300 0.108 0.000 2.607 815 C HA 0.629 5.361 4.460 0.454 0.000 0.350 815 C C -1.082 173.966 174.990 0.096 0.000 1.101 815 C CA -0.872 58.211 59.018 0.108 0.000 1.282 815 C CB 0.534 28.317 27.740 0.072 0.000 1.825 815 C HN 0.818 nan 8.230 nan 0.000 0.460 816 L N 9.012 130.283 121.223 0.080 0.000 2.504 816 L HA 0.636 5.249 4.340 0.454 0.000 0.265 816 L C -2.586 174.287 176.870 0.005 0.000 0.975 816 L CA -1.436 53.453 54.840 0.083 0.000 0.864 816 L CB 1.861 43.978 42.059 0.098 0.000 1.212 816 L HN 0.463 nan 8.230 nan 0.000 0.416 817 P HA 0.392 nan 4.420 nan 0.000 0.276 817 P C 0.089 177.392 177.300 0.005 0.000 1.230 817 P CA -0.144 62.950 63.100 -0.010 0.000 0.776 817 P CB 0.839 32.542 31.700 0.005 0.000 0.888 818 T N -0.602 113.928 114.554 -0.041 0.000 2.959 818 T HA 0.509 5.132 4.350 0.454 0.000 0.254 818 T C 0.690 175.465 174.700 0.125 0.000 1.003 818 T CA 0.242 62.327 62.100 -0.025 0.000 0.950 818 T CB 0.046 68.763 68.868 -0.253 0.000 1.090 818 T HN 0.531 nan 8.240 nan 0.000 0.503 819 G N 0.483 109.303 108.800 0.034 0.000 2.489 819 G HA2 0.402 4.634 3.960 0.454 0.000 0.305 819 G HA3 0.402 4.634 3.960 0.454 0.000 0.305 819 G C -2.002 172.760 174.900 -0.229 0.000 1.311 819 G CA -0.695 44.399 45.100 -0.010 0.000 0.813 819 G HN -0.008 nan 8.290 nan 0.000 0.480 820 D N 0.810 120.919 120.400 -0.485 0.000 2.503 820 D HA 0.039 4.951 4.640 0.454 0.000 0.280 820 D C 1.137 177.241 176.300 -0.327 0.000 1.405 820 D CA 0.552 54.072 54.000 -0.799 0.000 1.049 820 D CB -0.232 40.255 40.800 -0.523 0.000 1.127 820 D HN 0.532 nan 8.370 nan 0.000 0.551 821 R N 1.802 122.159 120.500 -0.238 0.000 3.422 821 R HA -0.164 4.449 4.340 0.454 0.000 0.267 821 R C -0.488 175.725 176.300 -0.145 0.000 1.074 821 R CA 0.931 56.957 56.100 -0.123 0.000 0.718 821 R CB -2.154 28.100 30.300 -0.077 0.000 1.157 821 R HN 0.401 nan 8.270 nan 0.000 0.440 822 T N -1.158 113.293 114.554 -0.170 0.000 3.032 822 T HA 0.696 5.319 4.350 0.454 0.000 0.312 822 T C 0.141 174.711 174.700 -0.218 0.000 1.078 822 T CA -0.080 61.874 62.100 -0.243 0.000 1.028 822 T CB 2.365 71.142 68.868 -0.151 0.000 1.091 822 T HN 0.446 nan 8.240 nan 0.000 0.457 823 G N 1.389 110.000 108.800 -0.316 0.000 2.428 823 G HA2 0.642 4.874 3.960 0.454 0.000 0.305 823 G HA3 0.642 4.874 3.960 0.454 0.000 0.305 823 G C -2.388 172.386 174.900 -0.211 0.000 1.260 823 G CA -0.754 44.220 45.100 -0.210 0.000 0.853 823 G HN 0.717 nan 8.290 nan 0.000 0.480 824 L N -0.193 120.977 121.223 -0.089 0.000 2.388 824 L HA 0.672 5.285 4.340 0.454 0.000 0.264 824 L C -1.063 175.828 176.870 0.035 0.000 0.998 824 L CA -0.832 53.999 54.840 -0.015 0.000 0.817 824 L CB 2.277 44.340 42.059 0.007 0.000 1.338 824 L HN 0.380 nan 8.230 nan 0.000 0.414 825 I N 0.863 121.471 120.570 0.064 0.000 2.562 825 I HA 0.270 4.713 4.170 0.454 0.000 0.301 825 I C 0.140 176.315 176.117 0.097 0.000 1.003 825 I CA -0.311 61.067 61.300 0.130 0.000 1.127 825 I CB 1.835 39.923 38.000 0.147 0.000 1.304 825 I HN 0.532 nan 8.210 nan 0.000 0.446 826 E N 4.129 124.431 120.200 0.170 0.000 2.259 826 E HA 0.277 4.900 4.350 0.454 0.000 0.281 826 E C -1.091 175.485 176.600 -0.040 0.000 1.037 826 E CA -0.506 55.945 56.400 0.084 0.000 0.854 826 E CB 1.011 30.806 29.700 0.159 0.000 1.051 826 E HN 0.375 nan 8.360 nan 0.000 0.409 827 V N 5.017 124.841 119.914 -0.150 0.000 2.572 827 V HA 0.027 4.419 4.120 0.454 0.000 0.291 827 V C 0.103 176.119 176.094 -0.129 0.000 1.039 827 V CA -0.278 61.875 62.300 -0.244 0.000 1.055 827 V CB 1.268 32.762 31.823 -0.548 0.000 0.969 827 V HN 0.448 nan 8.190 nan 0.000 0.482 828 V N 7.353 127.215 119.914 -0.087 0.000 2.333 828 V HA 0.347 4.740 4.120 0.454 0.000 0.274 828 V C 0.221 176.360 176.094 0.075 0.000 1.028 828 V CA -0.321 61.959 62.300 -0.032 0.000 0.851 828 V CB 1.024 32.758 31.823 -0.149 0.000 1.000 828 V HN 0.616 nan 8.190 nan 0.000 0.456 829 L N 4.418 125.656 121.223 0.025 0.000 2.475 829 L HA 0.464 5.077 4.340 0.454 0.000 0.253 829 L C 0.917 177.798 176.870 0.018 0.000 1.198 829 L CA -0.511 54.289 54.840 -0.068 0.000 0.814 829 L CB -0.019 41.841 42.059 -0.331 0.000 1.134 829 L HN 0.808 nan 8.230 nan 0.000 0.478 830 H N -1.739 117.451 119.070 0.201 0.000 2.839 830 H HA -0.139 4.691 4.556 0.456 0.000 0.298 830 H C -0.346 175.160 175.328 0.298 0.000 1.224 830 H CA 0.471 56.645 56.048 0.211 0.000 1.144 830 H CB -1.551 28.304 29.762 0.156 0.000 1.372 830 H HN 0.612 nan 8.280 nan 0.000 0.408 831 S N -1.145 114.761 115.700 0.344 0.000 2.627 831 S HA 0.748 5.490 4.470 0.454 0.000 0.283 831 S C -1.023 173.689 174.600 0.185 0.000 1.127 831 S CA -0.934 57.464 58.200 0.330 0.000 0.863 831 S CB 4.022 67.441 63.200 0.365 0.000 1.121 831 S HN 0.203 nan 8.310 nan 0.000 0.479 832 D N 0.317 120.726 120.400 0.016 0.000 2.609 832 D HA 0.514 5.427 4.640 0.454 0.000 0.239 832 D C -0.686 175.469 176.300 -0.242 0.000 1.229 832 D CA -0.123 53.811 54.000 -0.110 0.000 0.808 832 D CB 2.220 42.951 40.800 -0.115 0.000 1.448 832 D HN 0.836 nan 8.370 nan 0.000 0.433 833 T N 0.244 114.669 114.554 -0.215 0.000 2.926 833 T HA 0.130 4.752 4.350 0.454 0.000 0.307 833 T C 2.019 176.575 174.700 -0.240 0.000 1.059 833 T CA -0.638 61.325 62.100 -0.229 0.000 1.122 833 T CB 0.406 69.179 68.868 -0.159 0.000 0.972 833 T HN 0.283 nan 8.240 nan 0.000 0.545 834 I N 2.269 122.718 120.570 -0.201 0.000 2.087 834 I HA -0.242 4.200 4.170 0.454 0.000 0.240 834 I C 3.014 179.072 176.117 -0.100 0.000 1.054 834 I CA 1.996 63.219 61.300 -0.129 0.000 1.311 834 I CB -2.339 35.664 38.000 0.006 0.000 1.024 834 I HN 0.925 nan 8.210 nan 0.000 0.402 835 A N 1.060 123.843 122.820 -0.061 0.000 1.909 835 A HA -0.329 4.264 4.320 0.454 0.000 0.221 835 A C 2.186 179.729 177.584 -0.069 0.000 1.223 835 A CA 2.747 54.758 52.037 -0.042 0.000 0.658 835 A CB -1.156 17.831 19.000 -0.022 0.000 0.831 835 A HN 0.482 nan 8.150 nan 0.000 0.462 836 N N -0.156 118.483 118.700 -0.102 0.000 2.104 836 N HA -0.098 4.914 4.740 0.454 0.000 0.190 836 N C 1.545 176.988 175.510 -0.113 0.000 1.024 836 N CA 1.700 54.689 53.050 -0.102 0.000 0.853 836 N CB -0.387 38.030 38.487 -0.116 0.000 1.008 836 N HN 0.602 nan 8.380 nan 0.000 0.424 837 I N 0.090 120.545 120.570 -0.191 0.000 2.394 837 I HA -0.195 4.248 4.170 0.454 0.000 0.251 837 I C 1.453 177.513 176.117 -0.094 0.000 1.136 837 I CA 1.002 62.165 61.300 -0.228 0.000 1.425 837 I CB -0.337 37.365 38.000 -0.496 0.000 1.079 837 I HN 0.212 nan 8.210 nan 0.000 0.425 838 Q N 0.507 120.265 119.800 -0.069 0.000 2.444 838 Q HA 0.086 4.699 4.340 0.454 0.000 0.206 838 Q C 2.197 178.190 176.000 -0.011 0.000 0.948 838 Q CA 0.096 55.889 55.803 -0.017 0.000 0.946 838 Q CB 0.328 29.069 28.738 0.005 0.000 1.027 838 Q HN 0.549 nan 8.270 nan 0.000 0.513 839 L N 0.470 121.679 121.223 -0.024 0.000 2.265 839 L HA -0.136 4.477 4.340 0.454 0.000 0.215 839 L C 0.560 177.427 176.870 -0.005 0.000 1.117 839 L CA 0.536 55.367 54.840 -0.016 0.000 0.782 839 L CB -0.403 41.642 42.059 -0.023 0.000 0.914 839 L HN 0.451 nan 8.230 nan 0.000 0.441 840 N N 1.180 119.881 118.700 0.002 0.000 2.696 840 N HA -0.222 4.790 4.740 0.454 0.000 0.256 840 N C -0.246 175.273 175.510 0.015 0.000 1.031 840 N CA 0.471 53.532 53.050 0.017 0.000 0.730 840 N CB -0.977 37.520 38.487 0.016 0.000 0.894 840 N HN 0.224 nan 8.380 nan 0.000 0.544 841 K N 0.711 121.123 120.400 0.020 0.000 2.451 841 K HA 0.106 4.699 4.320 0.454 0.000 0.280 841 K C 0.505 177.116 176.600 0.017 0.000 1.020 841 K CA 0.310 56.606 56.287 0.015 0.000 1.008 841 K CB 0.400 32.911 32.500 0.018 0.000 0.917 841 K HN 0.547 nan 8.250 nan 0.000 0.478 842 S N 2.385 118.089 115.700 0.006 0.000 2.572 842 S HA 0.090 4.833 4.470 0.454 0.000 0.279 842 S C 0.688 175.293 174.600 0.008 0.000 1.341 842 S CA 0.048 58.250 58.200 0.004 0.000 1.043 842 S CB 0.924 64.120 63.200 -0.006 0.000 0.887 842 S HN 0.983 nan 8.310 nan 0.000 0.516 843 N N -0.818 117.888 118.700 0.009 0.000 2.683 843 N HA -0.172 4.841 4.740 0.454 0.000 0.188 843 N C -0.370 175.151 175.510 0.018 0.000 1.509 843 N CA 1.034 54.090 53.050 0.010 0.000 2.533 843 N CB -1.287 37.205 38.487 0.009 0.000 0.965 843 N HN 0.614 nan 8.380 nan 0.000 0.576 844 M N 1.153 120.771 119.600 0.030 0.000 2.198 844 M HA 0.272 5.025 4.480 0.454 0.000 0.292 844 M C 1.890 178.216 176.300 0.042 0.000 1.150 844 M CA 1.064 56.392 55.300 0.047 0.000 1.168 844 M CB -0.967 31.679 32.600 0.077 0.000 1.388 844 M HN 0.323 nan 8.290 nan 0.000 0.447 845 A N 0.913 123.760 122.820 0.044 0.000 2.015 845 A HA 0.137 4.730 4.320 0.454 0.000 0.219 845 A C 1.774 179.386 177.584 0.046 0.000 1.163 845 A CA 1.587 53.640 52.037 0.027 0.000 0.646 845 A CB -0.719 18.279 19.000 -0.004 0.000 0.806 845 A HN 0.887 nan 8.150 nan 0.000 0.448 846 A N -0.440 122.433 122.820 0.088 0.000 2.327 846 A HA 0.325 4.917 4.320 0.454 0.000 0.228 846 A C 0.834 178.461 177.584 0.073 0.000 1.275 846 A CA 0.194 52.296 52.037 0.108 0.000 0.875 846 A CB -0.999 18.121 19.000 0.200 0.000 0.925 846 A HN 0.214 nan 8.150 nan 0.000 0.493 847 T N 2.313 116.894 114.554 0.044 0.000 2.708 847 T HA 0.320 4.942 4.350 0.454 0.000 0.271 847 T C 0.309 175.013 174.700 0.006 0.000 0.985 847 T CA 1.032 63.144 62.100 0.019 0.000 1.229 847 T CB -0.278 68.593 68.868 0.006 0.000 0.934 847 T HN 0.560 nan 8.240 nan 0.000 0.522 848 A N 2.921 125.739 122.820 -0.005 0.000 2.355 848 A HA 0.794 5.387 4.320 0.454 0.000 0.317 848 A C 1.155 178.676 177.584 -0.105 0.000 1.094 848 A CA -0.378 51.649 52.037 -0.016 0.000 0.764 848 A CB 1.130 20.150 19.000 0.034 0.000 1.230 848 A HN 0.792 nan 8.150 nan 0.000 0.448 849 A N 1.621 124.328 122.820 -0.188 0.000 1.898 849 A HA 0.319 4.911 4.320 0.454 0.000 0.216 849 A C 0.228 177.310 177.584 -0.836 0.000 1.181 849 A CA 1.217 52.935 52.037 -0.531 0.000 0.620 849 A CB -0.337 18.282 19.000 -0.634 0.000 0.819 849 A HN 0.730 nan 8.150 nan 0.000 0.442 850 F N -1.797 118.136 119.950 -0.029 0.000 2.507 850 F HA 0.387 5.187 4.527 0.454 0.000 0.325 850 F C 0.791 176.564 175.800 -0.044 0.000 1.116 850 F CA -0.937 57.032 58.000 -0.053 0.000 0.930 850 F CB 1.299 40.250 39.000 -0.082 0.000 1.146 850 F HN 0.085 nan 8.300 nan 0.000 0.447 851 N N 2.194 120.965 118.700 0.119 0.000 2.184 851 N HA -0.254 4.758 4.740 0.454 0.000 0.190 851 N C 1.756 177.306 175.510 0.067 0.000 1.011 851 N CA 1.917 55.010 53.050 0.072 0.000 0.867 851 N CB 0.038 38.560 38.487 0.058 0.000 0.993 851 N HN 0.690 nan 8.380 nan 0.000 0.433 852 K N -0.882 119.541 120.400 0.037 0.000 2.360 852 K HA -0.092 4.500 4.320 0.454 0.000 0.201 852 K C 0.471 177.048 176.600 -0.038 0.000 1.046 852 K CA 1.357 57.605 56.287 -0.065 0.000 0.945 852 K CB 0.171 32.506 32.500 -0.274 0.000 0.750 852 K HN 0.242 nan 8.250 nan 0.000 0.464 853 D N 1.198 121.638 120.400 0.067 0.000 2.333 853 D HA 0.069 4.982 4.640 0.454 0.000 0.208 853 D C 1.910 178.285 176.300 0.125 0.000 0.984 853 D CA 0.744 54.829 54.000 0.141 0.000 0.873 853 D CB 0.227 41.124 40.800 0.161 0.000 0.935 853 D HN 0.337 nan 8.370 nan 0.000 0.521 854 A N 1.511 124.392 122.820 0.101 0.000 1.884 854 A HA -0.210 4.383 4.320 0.454 0.000 0.219 854 A C 2.315 179.976 177.584 0.128 0.000 1.197 854 A CA 1.180 53.276 52.037 0.098 0.000 0.637 854 A CB -0.938 18.101 19.000 0.065 0.000 0.827 854 A HN 0.195 nan 8.150 nan 0.000 0.450 855 L N -1.427 119.857 121.223 0.102 0.000 1.970 855 L HA -0.211 4.401 4.340 0.454 0.000 0.212 855 L C 2.593 179.557 176.870 0.156 0.000 1.071 855 L CA 1.500 56.401 54.840 0.102 0.000 0.751 855 L CB -0.594 41.490 42.059 0.042 0.000 0.889 855 L HN 0.477 nan 8.230 nan 0.000 0.432 856 L N 0.296 121.575 121.223 0.094 0.000 2.042 856 L HA -0.218 4.394 4.340 0.454 0.000 0.210 856 L C 2.259 179.190 176.870 0.101 0.000 1.076 856 L CA 1.785 56.663 54.840 0.062 0.000 0.749 856 L CB -0.968 41.112 42.059 0.036 0.000 0.893 856 L HN 0.277 nan 8.230 nan 0.000 0.432 857 N N -1.125 117.651 118.700 0.126 0.000 2.069 857 N HA -0.262 4.751 4.740 0.454 0.000 0.191 857 N C 1.526 177.126 175.510 0.151 0.000 1.031 857 N CA 1.719 54.838 53.050 0.115 0.000 0.852 857 N CB -0.875 37.677 38.487 0.108 0.000 1.018 857 N HN 0.587 nan 8.380 nan 0.000 0.423 858 W N 1.980 123.290 121.300 0.017 0.000 2.333 858 W HA -0.076 4.856 4.660 0.453 0.000 0.316 858 W C 2.042 178.574 176.519 0.022 0.000 1.215 858 W CA 1.302 58.660 57.345 0.023 0.000 1.278 858 W CB -0.557 28.922 29.460 0.031 0.000 1.154 858 W HN -0.012 nan 8.180 nan 0.000 0.486 859 L N 0.499 121.891 121.223 0.283 0.000 2.012 859 L HA -0.298 4.314 4.340 0.454 0.000 0.210 859 L C 2.561 179.408 176.870 -0.037 0.000 1.073 859 L CA 1.932 56.836 54.840 0.106 0.000 0.748 859 L CB -1.009 41.139 42.059 0.150 0.000 0.891 859 L HN -0.026 nan 8.230 nan 0.000 0.431 860 K N -0.083 120.313 120.400 -0.006 0.000 2.044 860 K HA -0.218 4.375 4.320 0.454 0.000 0.210 860 K C 2.302 178.857 176.600 -0.075 0.000 1.049 860 K CA 2.041 58.311 56.287 -0.029 0.000 0.927 860 K CB -0.204 32.295 32.500 -0.001 0.000 0.713 860 K HN 0.429 nan 8.250 nan 0.000 0.443 861 S N 0.519 116.151 115.700 -0.113 0.000 2.406 861 S HA -0.031 4.711 4.470 0.454 0.000 0.228 861 S C 1.593 176.064 174.600 -0.215 0.000 1.020 861 S CA 0.692 58.804 58.200 -0.146 0.000 0.965 861 S CB 0.024 63.135 63.200 -0.149 0.000 0.798 861 S HN 0.100 nan 8.310 nan 0.000 0.488 862 K N 1.849 122.048 120.400 -0.334 0.000 2.365 862 K HA 0.226 4.819 4.320 0.454 0.000 0.197 862 K C 0.011 176.495 176.600 -0.194 0.000 1.042 862 K CA 0.335 56.416 56.287 -0.344 0.000 0.987 862 K CB -0.228 31.923 32.500 -0.582 0.000 0.779 862 K HN 0.410 nan 8.250 nan 0.000 0.484 863 N N 1.542 120.159 118.700 -0.140 0.000 2.791 863 N HA 0.182 5.195 4.740 0.454 0.000 0.265 863 N C -2.797 172.681 175.510 -0.053 0.000 1.580 863 N CA -1.045 51.959 53.050 -0.077 0.000 0.809 863 N CB 1.939 40.399 38.487 -0.044 0.000 1.178 863 N HN 0.011 nan 8.380 nan 0.000 0.499 864 P HA 0.125 nan 4.420 nan 0.000 0.272 864 P C 1.066 178.351 177.300 -0.025 0.000 1.223 864 P CA 0.660 63.737 63.100 -0.038 0.000 0.784 864 P CB 0.931 32.607 31.700 -0.040 0.000 0.923 865 G N 2.840 111.629 108.800 -0.018 0.000 2.660 865 G HA2 -0.374 3.858 3.960 0.454 0.000 0.321 865 G HA3 -0.374 3.858 3.960 0.454 0.000 0.321 865 G C 0.985 175.881 174.900 -0.007 0.000 1.246 865 G CA 0.822 45.916 45.100 -0.011 0.000 1.000 865 G HN 0.539 nan 8.290 nan 0.000 0.550 866 E N 1.071 121.268 120.200 -0.006 0.000 2.347 866 E HA 0.242 4.865 4.350 0.454 0.000 0.196 866 E C 2.870 179.470 176.600 -0.000 0.000 1.008 866 E CA 0.923 57.323 56.400 -0.001 0.000 0.852 866 E CB -0.251 29.449 29.700 -0.001 0.000 0.783 866 E HN 0.683 nan 8.360 nan 0.000 0.505 867 A N 1.033 123.849 122.820 -0.007 0.000 2.024 867 A HA -0.191 4.402 4.320 0.454 0.000 0.220 867 A C 2.070 179.657 177.584 0.005 0.000 1.164 867 A CA 0.888 52.922 52.037 -0.006 0.000 0.643 867 A CB -0.450 18.540 19.000 -0.018 0.000 0.806 867 A HN 0.265 nan 8.150 nan 0.000 0.451 868 L N 0.321 121.546 121.223 0.002 0.000 2.013 868 L HA -0.231 4.382 4.340 0.454 0.000 0.212 868 L C 1.748 178.634 176.870 0.026 0.000 1.073 868 L CA 2.651 57.496 54.840 0.009 0.000 0.753 868 L CB -0.749 41.311 42.059 0.001 0.000 0.890 868 L HN 0.365 nan 8.230 nan 0.000 0.432 869 D N -0.808 119.608 120.400 0.026 0.000 2.104 869 D HA -0.233 4.679 4.640 0.454 0.000 0.194 869 D C 2.305 178.642 176.300 0.062 0.000 0.994 869 D CA 1.294 55.318 54.000 0.040 0.000 0.830 869 D CB -0.145 40.675 40.800 0.034 0.000 0.959 869 D HN 0.177 nan 8.370 nan 0.000 0.452 870 R N 1.126 121.658 120.500 0.054 0.000 2.096 870 R HA -0.089 4.524 4.340 0.454 0.000 0.240 870 R C 2.002 178.363 176.300 0.102 0.000 1.139 870 R CA 1.889 58.030 56.100 0.068 0.000 0.952 870 R CB -0.898 29.424 30.300 0.037 0.000 0.854 870 R HN 0.116 nan 8.270 nan 0.000 0.436 871 A N 0.169 123.046 122.820 0.095 0.000 1.902 871 A HA -0.087 4.506 4.320 0.454 0.000 0.217 871 A C 2.336 180.029 177.584 0.181 0.000 1.181 871 A CA 1.634 53.752 52.037 0.136 0.000 0.623 871 A CB -0.588 18.476 19.000 0.106 0.000 0.818 871 A HN 0.378 nan 8.150 nan 0.000 0.443 872 I N -0.626 120.022 120.570 0.131 0.000 2.286 872 I HA -0.242 4.201 4.170 0.454 0.000 0.248 872 I C 2.536 178.788 176.117 0.225 0.000 1.115 872 I CA 1.683 63.068 61.300 0.141 0.000 1.392 872 I CB -0.219 37.819 38.000 0.064 0.000 1.065 872 I HN 0.354 nan 8.210 nan 0.000 0.418 873 E N 1.208 121.521 120.200 0.188 0.000 2.028 873 E HA -0.212 4.410 4.350 0.454 0.000 0.191 873 E C 2.055 178.781 176.600 0.210 0.000 0.988 873 E CA 1.420 57.940 56.400 0.201 0.000 0.799 873 E CB -0.081 29.712 29.700 0.156 0.000 0.755 873 E HN 0.315 nan 8.360 nan 0.000 0.447 874 E N -0.290 120.032 120.200 0.203 0.000 2.085 874 E HA -0.205 4.417 4.350 0.454 0.000 0.194 874 E C 2.094 178.834 176.600 0.233 0.000 0.994 874 E CA 1.028 57.547 56.400 0.198 0.000 0.801 874 E CB -0.502 29.322 29.700 0.206 0.000 0.743 874 E HN 0.364 nan 8.360 nan 0.000 0.453 875 F N 2.017 122.045 119.950 0.129 0.000 2.102 875 F HA -0.206 4.593 4.527 0.454 0.000 0.298 875 F C 2.434 178.315 175.800 0.135 0.000 1.105 875 F CA 1.848 59.917 58.000 0.115 0.000 1.239 875 F CB -0.274 38.780 39.000 0.089 0.000 0.991 875 F HN -0.089 nan 8.300 nan 0.000 0.474 876 T N 1.748 116.555 114.554 0.422 0.000 2.674 876 T HA -0.195 4.427 4.350 0.454 0.000 0.265 876 T C 2.090 177.006 174.700 0.360 0.000 1.039 876 T CA 1.871 64.228 62.100 0.429 0.000 1.150 876 T CB -0.651 68.501 68.868 0.472 0.000 0.864 876 T HN 0.226 nan 8.240 nan 0.000 0.427 877 L N 1.540 122.856 121.223 0.155 0.000 1.990 877 L HA -0.164 4.448 4.340 0.454 0.000 0.213 877 L C 2.919 179.782 176.870 -0.012 0.000 1.072 877 L CA 1.772 56.565 54.840 -0.078 0.000 0.755 877 L CB -0.814 41.142 42.059 -0.172 0.000 0.889 877 L HN 0.391 nan 8.230 nan 0.000 0.432 878 S N -1.864 113.867 115.700 0.052 0.000 2.461 878 S HA -0.177 4.565 4.470 0.454 0.000 0.228 878 S C 2.130 176.834 174.600 0.174 0.000 1.005 878 S CA 0.691 58.972 58.200 0.134 0.000 0.942 878 S CB -0.905 62.422 63.200 0.213 0.000 0.776 878 S HN 0.515 nan 8.310 nan 0.000 0.514 879 C N 2.071 121.387 119.300 0.028 0.000 2.462 879 C HA 0.172 4.905 4.460 0.454 0.000 0.278 879 C C 3.145 178.330 174.990 0.326 0.000 1.253 879 C CA 0.921 59.974 59.018 0.058 0.000 1.713 879 C CB -1.649 26.044 27.740 -0.079 0.000 2.049 879 C HN 0.694 nan 8.230 nan 0.000 0.477 880 A N 0.721 123.766 122.820 0.375 0.000 1.869 880 A HA -0.065 4.528 4.320 0.454 0.000 0.218 880 A C 2.498 180.109 177.584 0.046 0.000 1.203 880 A CA 2.699 54.819 52.037 0.139 0.000 0.638 880 A CB -1.729 17.256 19.000 -0.026 0.000 0.831 880 A HN 0.755 nan 8.150 nan 0.000 0.450 881 G N -1.920 106.823 108.800 -0.096 0.000 2.491 881 G HA2 -0.258 3.975 3.960 0.454 0.000 0.218 881 G HA3 -0.258 3.975 3.960 0.454 0.000 0.218 881 G C 1.471 176.364 174.900 -0.012 0.000 1.180 881 G CA 1.343 46.318 45.100 -0.209 0.000 0.774 881 G HN 0.579 nan 8.290 nan 0.000 0.562 882 Y N -0.032 120.385 120.300 0.195 0.000 2.373 882 Y HA -0.032 4.791 4.550 0.455 0.000 0.293 882 Y C 3.088 179.069 175.900 0.135 0.000 1.129 882 Y CA 0.452 58.664 58.100 0.186 0.000 1.226 882 Y CB -0.454 38.181 38.460 0.292 0.000 1.000 882 Y HN 0.223 nan 8.280 nan 0.000 0.549 883 C N -1.159 118.313 119.300 0.286 0.000 2.453 883 C HA -0.128 4.604 4.460 0.454 0.000 0.277 883 C C 2.741 177.846 174.990 0.193 0.000 1.262 883 C CA 0.981 60.082 59.018 0.138 0.000 1.718 883 C CB -1.031 26.834 27.740 0.210 0.000 2.031 883 C HN 0.347 nan 8.230 nan 0.000 0.480 884 V N 1.153 121.291 119.914 0.375 0.000 2.427 884 V HA -0.158 4.234 4.120 0.454 0.000 0.248 884 V C 2.601 178.955 176.094 0.434 0.000 1.051 884 V CA 2.107 64.719 62.300 0.520 0.000 1.048 884 V CB -1.130 30.952 31.823 0.431 0.000 0.666 884 V HN 0.606 nan 8.190 nan 0.000 0.456 885 A N 0.854 123.854 122.820 0.300 0.000 1.872 885 A HA -0.179 4.414 4.320 0.454 0.000 0.214 885 A C 2.507 180.160 177.584 0.117 0.000 1.187 885 A CA 2.202 54.347 52.037 0.180 0.000 0.614 885 A CB -0.992 18.058 19.000 0.083 0.000 0.826 885 A HN 0.599 nan 8.150 nan 0.000 0.442 886 T N -3.335 111.279 114.554 0.101 0.000 2.867 886 T HA -0.210 4.412 4.350 0.454 0.000 0.268 886 T C 1.803 176.582 174.700 0.130 0.000 1.057 886 T CA 1.577 63.711 62.100 0.056 0.000 1.136 886 T CB -0.519 68.356 68.868 0.011 0.000 0.874 886 T HN 0.488 nan 8.240 nan 0.000 0.466 887 Y N 2.166 122.531 120.300 0.107 0.000 2.130 887 Y HA 0.047 4.869 4.550 0.454 0.000 0.287 887 Y C 2.400 178.450 175.900 0.250 0.000 1.124 887 Y CA 0.895 59.112 58.100 0.195 0.000 1.118 887 Y CB -0.616 38.038 38.460 0.324 0.000 0.994 887 Y HN 0.028 nan 8.280 nan 0.000 0.497 888 V N 1.175 121.172 119.914 0.138 0.000 2.282 888 V HA -0.352 4.041 4.120 0.454 0.000 0.249 888 V C 2.405 178.464 176.094 -0.059 0.000 1.057 888 V CA 2.250 64.548 62.300 -0.004 0.000 1.032 888 V CB -0.855 31.005 31.823 0.061 0.000 0.645 888 V HN 0.485 nan 8.190 nan 0.000 0.447 889 L N 0.107 121.312 121.223 -0.031 0.000 2.478 889 L HA 0.200 4.812 4.340 0.454 0.000 0.223 889 L C 1.659 178.435 176.870 -0.156 0.000 1.140 889 L CA 0.821 55.627 54.840 -0.057 0.000 0.842 889 L CB -0.720 41.359 42.059 0.033 0.000 0.953 889 L HN 0.610 nan 8.230 nan 0.000 0.452 890 G N 1.455 110.187 108.800 -0.113 0.000 2.225 890 G HA2 -0.284 3.948 3.960 0.454 0.000 0.264 890 G HA3 -0.284 3.948 3.960 0.454 0.000 0.264 890 G C 0.034 174.840 174.900 -0.157 0.000 1.060 890 G CA -0.141 44.788 45.100 -0.284 0.000 0.833 890 G HN 0.313 nan 8.290 nan 0.000 0.498 891 I N 0.847 121.418 120.570 0.001 0.000 2.342 891 I HA 0.589 5.031 4.170 0.454 0.000 0.291 891 I C 1.166 177.352 176.117 0.115 0.000 1.010 891 I CA 0.336 61.692 61.300 0.093 0.000 1.308 891 I CB 1.307 39.366 38.000 0.099 0.000 1.400 891 I HN 0.230 nan 8.210 nan 0.000 0.488 892 G N 2.737 111.618 108.800 0.134 0.000 3.176 892 G HA2 0.354 4.586 3.960 0.454 0.000 0.272 892 G HA3 0.354 4.586 3.960 0.454 0.000 0.272 892 G C -0.509 174.468 174.900 0.128 0.000 1.349 892 G CA -0.472 44.699 45.100 0.119 0.000 0.953 892 G HN 0.613 nan 8.290 nan 0.000 0.559 893 D N -0.711 119.757 120.400 0.112 0.000 2.686 893 D HA -0.146 4.766 4.640 0.454 0.000 0.235 893 D C 0.260 176.632 176.300 0.119 0.000 1.160 893 D CA 0.505 54.592 54.000 0.145 0.000 0.645 893 D CB -0.459 40.417 40.800 0.125 0.000 1.039 893 D HN 0.292 nan 8.370 nan 0.000 0.423 894 R N 1.129 121.685 120.500 0.093 0.000 2.308 894 R HA 0.502 5.115 4.340 0.454 0.000 0.305 894 R C 0.508 176.813 176.300 0.009 0.000 1.053 894 R CA -0.219 55.884 56.100 0.005 0.000 0.957 894 R CB 0.886 31.292 30.300 0.178 0.000 1.022 894 R HN 0.588 nan 8.270 nan 0.000 0.461 895 H N -2.576 116.531 119.070 0.061 0.000 2.931 895 H HA 0.251 5.079 4.556 0.454 0.000 0.331 895 H C 0.648 175.985 175.328 0.014 0.000 1.273 895 H CA -0.743 55.321 56.048 0.027 0.000 1.171 895 H CB 0.547 30.315 29.762 0.009 0.000 1.898 895 H HN 0.403 nan 8.280 nan 0.000 0.562 896 S N -1.366 114.436 115.700 0.170 0.000 2.603 896 S HA -0.105 4.637 4.470 0.454 0.000 0.229 896 S C 0.481 175.114 174.600 0.054 0.000 0.972 896 S CA 1.011 59.262 58.200 0.085 0.000 0.935 896 S CB -0.316 62.930 63.200 0.077 0.000 0.769 896 S HN 0.579 nan 8.310 nan 0.000 0.536 897 D N 2.745 123.266 120.400 0.201 0.000 2.271 897 D HA 0.011 4.924 4.640 0.454 0.000 0.206 897 D C 1.276 177.564 176.300 -0.020 0.000 0.967 897 D CA 0.759 54.845 54.000 0.143 0.000 0.867 897 D CB -0.201 40.757 40.800 0.264 0.000 0.960 897 D HN 0.869 nan 8.370 nan 0.000 0.509 898 N N 0.018 118.608 118.700 -0.183 0.000 2.275 898 N HA 0.117 5.130 4.740 0.454 0.000 0.236 898 N C -0.102 175.182 175.510 -0.377 0.000 1.154 898 N CA -0.092 52.790 53.050 -0.279 0.000 0.866 898 N CB 1.008 39.308 38.487 -0.311 0.000 1.093 898 N HN 0.031 nan 8.380 nan 0.000 0.515 899 I N 1.258 121.598 120.570 -0.383 0.000 2.474 899 I HA 0.408 4.851 4.170 0.454 0.000 0.294 899 I C -0.308 175.497 176.117 -0.519 0.000 1.005 899 I CA -0.714 60.254 61.300 -0.554 0.000 1.113 899 I CB 1.955 39.698 38.000 -0.429 0.000 1.289 899 I HN -0.096 nan 8.210 nan 0.000 0.436 900 M N 6.363 125.501 119.600 -0.769 0.000 2.465 900 M HA 0.541 5.294 4.480 0.454 0.000 0.316 900 M C -1.126 174.859 176.300 -0.526 0.000 1.121 900 M CA -0.911 53.954 55.300 -0.725 0.000 0.934 900 M CB 2.545 34.505 32.600 -1.068 0.000 1.692 900 M HN 0.327 nan 8.290 nan 0.000 0.444 901 I N 0.387 120.803 120.570 -0.256 0.000 2.525 901 I HA 0.620 5.062 4.170 0.454 0.000 0.301 901 I C -0.110 176.132 176.117 0.209 0.000 0.992 901 I CA -0.746 60.561 61.300 0.011 0.000 1.162 901 I CB 0.728 38.757 38.000 0.047 0.000 1.332 901 I HN 0.596 nan 8.210 nan 0.000 0.458 902 R N 2.365 123.105 120.500 0.400 0.000 2.596 902 R HA 0.368 4.980 4.340 0.454 0.000 0.267 902 R C 0.392 177.019 176.300 0.545 0.000 1.026 902 R CA -0.714 55.670 56.100 0.472 0.000 1.087 902 R CB 1.050 31.578 30.300 0.381 0.000 1.132 902 R HN 0.669 nan 8.270 nan 0.000 0.531 903 E N 0.271 120.722 120.200 0.417 0.000 2.409 903 E HA -0.126 4.497 4.350 0.454 0.000 0.198 903 E C 1.399 178.063 176.600 0.106 0.000 1.024 903 E CA 1.191 57.671 56.400 0.133 0.000 0.861 903 E CB 0.156 29.826 29.700 -0.049 0.000 0.788 903 E HN 0.547 nan 8.360 nan 0.000 0.521 904 S N -1.067 114.743 115.700 0.182 0.000 2.522 904 S HA 0.087 4.830 4.470 0.454 0.000 0.227 904 S C 1.715 176.442 174.600 0.212 0.000 0.986 904 S CA 0.495 58.790 58.200 0.159 0.000 0.929 904 S CB 0.321 63.619 63.200 0.164 0.000 0.769 904 S HN 0.377 nan 8.310 nan 0.000 0.529 905 G N 0.329 109.313 108.800 0.306 0.000 2.258 905 G HA2 -0.267 3.965 3.960 0.454 0.000 0.233 905 G HA3 -0.267 3.965 3.960 0.454 0.000 0.233 905 G C -0.040 175.099 174.900 0.399 0.000 1.006 905 G CA -0.026 45.306 45.100 0.387 0.000 0.620 905 G HN 0.580 nan 8.290 nan 0.000 0.511 906 Q N 0.603 120.584 119.800 0.301 0.000 2.308 906 Q HA 0.403 5.016 4.340 0.454 0.000 0.313 906 Q C 0.370 176.514 176.000 0.240 0.000 1.075 906 Q CA 0.471 56.425 55.803 0.252 0.000 0.995 906 Q CB 0.694 29.587 28.738 0.258 0.000 1.107 906 Q HN 0.623 nan 8.270 nan 0.000 0.380 907 L N 4.935 126.210 121.223 0.088 0.000 2.325 907 L HA 0.763 5.375 4.340 0.454 0.000 0.278 907 L C -1.125 175.732 176.870 -0.022 0.000 1.023 907 L CA -0.753 54.033 54.840 -0.091 0.000 0.811 907 L CB 0.711 42.456 42.059 -0.524 0.000 1.249 907 L HN 0.738 nan 8.230 nan 0.000 0.431 908 F N 1.151 120.860 119.950 -0.401 0.000 2.779 908 F HA 0.558 5.357 4.527 0.453 0.000 0.316 908 F C -1.504 173.994 175.800 -0.502 0.000 1.164 908 F CA -0.999 56.538 58.000 -0.772 0.000 0.924 908 F CB 1.285 40.030 39.000 -0.426 0.000 1.348 908 F HN 0.407 nan 8.300 nan 0.000 0.467 909 H N 1.655 120.517 119.070 -0.347 0.000 2.569 909 H HA 0.780 5.609 4.556 0.454 0.000 0.357 909 H C -0.657 174.611 175.328 -0.100 0.000 1.153 909 H CA -0.507 55.443 56.048 -0.164 0.000 1.193 909 H CB 2.707 32.595 29.762 0.210 0.000 1.602 909 H HN 0.797 nan 8.280 nan 0.000 0.523 910 I N -1.902 118.496 120.570 -0.288 0.000 3.145 910 I HA 0.342 4.784 4.170 0.454 0.000 0.313 910 I C -0.877 174.895 176.117 -0.575 0.000 1.122 910 I CA -0.999 60.082 61.300 -0.365 0.000 0.987 910 I CB 2.413 40.294 38.000 -0.200 0.000 1.236 910 I HN 0.441 nan 8.210 nan 0.000 0.453 911 D N 2.027 122.164 120.400 -0.438 0.000 3.133 911 D HA -0.180 4.732 4.640 0.454 0.000 0.239 911 D C -1.247 174.923 176.300 -0.217 0.000 1.136 911 D CA 0.980 54.834 54.000 -0.243 0.000 0.898 911 D CB -0.862 39.877 40.800 -0.101 0.000 0.959 911 D HN 0.364 nan 8.370 nan 0.000 0.415 912 F N 0.201 120.208 119.950 0.096 0.000 2.405 912 F HA 0.444 5.244 4.527 0.456 0.000 0.358 912 F C 1.774 177.592 175.800 0.031 0.000 1.151 912 F CA -0.420 57.621 58.000 0.068 0.000 1.161 912 F CB 1.171 40.183 39.000 0.020 0.000 1.245 912 F HN 0.125 nan 8.300 nan 0.000 0.545 913 G N 1.260 110.213 108.800 0.255 0.000 2.719 913 G HA2 0.035 4.267 3.960 0.454 0.000 0.211 913 G HA3 0.035 4.267 3.960 0.454 0.000 0.211 913 G C -0.287 174.521 174.900 -0.154 0.000 1.140 913 G CA 0.222 45.384 45.100 0.104 0.000 0.790 913 G HN 0.561 nan 8.290 nan 0.000 0.529 914 H N -1.127 118.037 119.070 0.157 0.000 2.856 914 H HA 0.542 5.371 4.556 0.454 0.000 0.355 914 H C -1.115 174.339 175.328 0.211 0.000 1.079 914 H CA -0.958 55.182 56.048 0.154 0.000 1.240 914 H CB 1.646 31.465 29.762 0.094 0.000 1.701 914 H HN 0.234 nan 8.280 nan 0.000 0.527 915 F N 0.174 120.095 119.950 -0.049 0.000 2.685 915 F HA 0.530 5.330 4.527 0.455 0.000 0.315 915 F C -0.889 174.705 175.800 -0.344 0.000 1.126 915 F CA -1.698 56.202 58.000 -0.168 0.000 0.950 915 F CB 1.498 40.424 39.000 -0.122 0.000 1.360 915 F HN 0.443 nan 8.300 nan 0.000 0.469 916 L N 2.004 122.689 121.223 -0.898 0.000 3.601 916 L HA -0.147 4.466 4.340 0.454 0.000 0.469 916 L C 0.986 176.996 176.870 -1.433 0.000 1.294 916 L CA 0.833 54.845 54.840 -1.379 0.000 0.829 916 L CB -1.774 39.603 42.059 -1.136 0.000 1.628 916 L HN 1.469 nan 8.230 nan 0.000 0.868 917 G N 0.024 108.031 108.800 -1.322 0.000 2.296 917 G HA2 -0.370 3.863 3.960 0.454 0.000 0.282 917 G HA3 -0.370 3.863 3.960 0.454 0.000 0.282 917 G C 0.301 174.784 174.900 -0.695 0.000 1.014 917 G CA 0.714 45.401 45.100 -0.688 0.000 0.812 917 G HN 0.760 nan 8.290 nan 0.000 0.508 918 N N 0.745 119.085 118.700 -0.600 0.000 3.188 918 N HA 0.416 5.429 4.740 0.454 0.000 0.279 918 N C 1.093 176.430 175.510 -0.288 0.000 1.213 918 N CA -0.692 51.958 53.050 -0.667 0.000 1.138 918 N CB -0.024 38.270 38.487 -0.321 0.000 1.417 918 N HN 0.422 nan 8.380 nan 0.000 0.526 930 V N 2.399 122.468 119.914 0.260 0.000 2.521 930 V HA 0.610 5.003 4.120 0.454 0.000 0.286 930 V C -1.527 174.715 176.094 0.247 0.000 1.034 930 V CA -1.127 61.300 62.300 0.211 0.000 1.045 930 V CB 0.123 32.048 31.823 0.170 0.000 0.974 930 V HN 0.550 nan 8.190 nan 0.000 0.480 931 P HA 0.140 nan 4.420 nan 0.000 0.271 931 P C -0.365 177.136 177.300 0.335 0.000 1.233 931 P CA -0.325 62.922 63.100 0.245 0.000 0.789 931 P CB 0.477 32.262 31.700 0.142 0.000 0.951 932 F N 1.106 121.142 119.950 0.143 0.000 2.506 932 F HA 0.181 4.981 4.527 0.455 0.000 0.351 932 F C 0.368 176.179 175.800 0.018 0.000 1.136 932 F CA 0.328 58.338 58.000 0.017 0.000 1.298 932 F CB 0.298 39.092 39.000 -0.344 0.000 1.145 932 F HN 0.058 nan 8.300 nan 0.000 0.593 933 I N 6.959 127.340 120.570 -0.315 0.000 2.439 933 I HA 0.272 4.714 4.170 0.454 0.000 0.285 933 I C -0.972 175.121 176.117 -0.038 0.000 1.021 933 I CA -0.568 60.675 61.300 -0.094 0.000 1.091 933 I CB 1.441 39.420 38.000 -0.036 0.000 1.242 933 I HN 0.473 nan 8.210 nan 0.000 0.439 934 L N 6.029 127.288 121.223 0.061 0.000 2.295 934 L HA 0.376 4.988 4.340 0.454 0.000 0.281 934 L C 0.256 177.096 176.870 -0.050 0.000 1.018 934 L CA -0.400 54.502 54.840 0.103 0.000 0.841 934 L CB 1.592 43.745 42.059 0.156 0.000 1.218 934 L HN 0.510 nan 8.230 nan 0.000 0.424 935 T N 1.210 115.563 114.554 -0.335 0.000 2.851 935 T HA -0.007 4.615 4.350 0.454 0.000 0.298 935 T C 0.906 175.485 174.700 -0.201 0.000 0.977 935 T CA -0.081 61.726 62.100 -0.488 0.000 1.126 935 T CB 0.928 69.041 68.868 -1.258 0.000 0.916 935 T HN 0.414 nan 8.240 nan 0.000 0.529 936 Y N 2.865 123.116 120.300 -0.083 0.000 2.173 936 Y HA -0.296 4.526 4.550 0.454 0.000 0.282 936 Y C 1.790 177.734 175.900 0.075 0.000 1.192 936 Y CA 2.054 60.190 58.100 0.059 0.000 1.176 936 Y CB -0.157 38.444 38.460 0.235 0.000 0.969 936 Y HN 0.670 nan 8.280 nan 0.000 0.519 937 D N -1.071 119.380 120.400 0.085 0.000 2.194 937 D HA -0.106 4.807 4.640 0.454 0.000 0.204 937 D C 1.912 178.410 176.300 0.331 0.000 0.964 937 D CA 1.008 55.104 54.000 0.160 0.000 0.846 937 D CB -0.294 40.634 40.800 0.213 0.000 0.962 937 D HN 0.260 nan 8.370 nan 0.000 0.490 938 F N 0.602 120.663 119.950 0.185 0.000 2.039 938 F HA -0.109 4.691 4.527 0.454 0.000 0.294 938 F C 2.572 178.445 175.800 0.122 0.000 1.130 938 F CA 0.209 58.397 58.000 0.312 0.000 1.189 938 F CB -1.388 37.791 39.000 0.299 0.000 0.983 938 F HN -0.151 nan 8.300 nan 0.000 0.471 939 V N 0.289 120.345 119.914 0.236 0.000 2.277 939 V HA -0.386 4.007 4.120 0.454 0.000 0.253 939 V C 2.454 178.534 176.094 -0.023 0.000 1.067 939 V CA 2.593 64.939 62.300 0.077 0.000 1.047 939 V CB -0.974 30.827 31.823 -0.037 0.000 0.649 939 V HN 0.418 nan 8.190 nan 0.000 0.447 940 H N -0.618 118.320 119.070 -0.220 0.000 2.352 940 H HA -0.138 4.690 4.556 0.454 0.000 0.299 940 H C 2.024 177.266 175.328 -0.144 0.000 1.097 940 H CA 2.209 58.109 56.048 -0.248 0.000 1.311 940 H CB -0.178 29.396 29.762 -0.314 0.000 1.377 940 H HN 0.223 nan 8.280 nan 0.000 0.504 941 V N 0.129 119.950 119.914 -0.155 0.000 2.453 941 V HA -0.175 4.217 4.120 0.454 0.000 0.247 941 V C 2.444 178.403 176.094 -0.225 0.000 1.048 941 V CA 1.715 63.817 62.300 -0.329 0.000 1.049 941 V CB -0.402 30.952 31.823 -0.781 0.000 0.672 941 V HN 0.412 nan 8.190 nan 0.000 0.457 942 I N -0.371 120.162 120.570 -0.062 0.000 2.315 942 I HA -0.246 4.197 4.170 0.454 0.000 0.248 942 I C 2.226 178.350 176.117 0.011 0.000 1.117 942 I CA 1.431 62.752 61.300 0.035 0.000 1.404 942 I CB -0.283 37.711 38.000 -0.010 0.000 1.071 942 I HN 0.313 nan 8.210 nan 0.000 0.419 943 Q N 0.755 120.525 119.800 -0.049 0.000 2.373 943 Q HA -0.004 4.608 4.340 0.454 0.000 0.206 943 Q C -0.088 175.827 176.000 -0.142 0.000 0.942 943 Q CA 0.046 55.811 55.803 -0.063 0.000 0.953 943 Q CB 0.166 28.855 28.738 -0.082 0.000 1.022 943 Q HN 0.440 nan 8.270 nan 0.000 0.502 944 Q N -1.463 118.240 119.800 -0.163 0.000 2.481 944 Q HA -0.261 4.352 4.340 0.454 0.000 0.272 944 Q C 0.572 176.436 176.000 -0.226 0.000 1.157 944 Q CA 0.273 55.985 55.803 -0.152 0.000 0.935 944 Q CB -2.069 26.628 28.738 -0.068 0.000 1.338 944 Q HN 0.706 nan 8.270 nan 0.000 0.494 945 G N -0.539 107.974 108.800 -0.477 0.000 2.143 945 G HA2 -0.329 3.903 3.960 0.454 0.000 0.248 945 G HA3 -0.329 3.903 3.960 0.454 0.000 0.248 945 G C -0.041 174.695 174.900 -0.274 0.000 0.991 945 G CA 0.645 45.405 45.100 -0.567 0.000 0.689 945 G HN 0.264 nan 8.290 nan 0.000 0.522 946 K N -0.099 120.165 120.400 -0.227 0.000 2.123 946 K HA 0.548 5.140 4.320 0.454 0.000 0.259 946 K C 1.262 177.831 176.600 -0.051 0.000 0.960 946 K CA -0.117 56.120 56.287 -0.084 0.000 0.872 946 K CB 1.362 33.827 32.500 -0.058 0.000 1.079 946 K HN 0.043 nan 8.250 nan 0.000 0.440 947 T N 0.375 114.923 114.554 -0.009 0.000 2.777 947 T HA -0.070 4.552 4.350 0.454 0.000 0.266 947 T C 0.445 175.129 174.700 -0.027 0.000 1.040 947 T CA 1.026 63.125 62.100 -0.002 0.000 1.141 947 T CB -0.073 68.790 68.868 -0.008 0.000 0.868 947 T HN 0.515 nan 8.240 nan 0.000 0.444 948 N N 2.316 121.000 118.700 -0.025 0.000 2.399 948 N HA 0.333 5.345 4.740 0.454 0.000 0.284 948 N C -1.391 174.115 175.510 -0.007 0.000 1.025 948 N CA -0.361 52.675 53.050 -0.023 0.000 0.885 948 N CB 1.538 40.018 38.487 -0.013 0.000 1.339 948 N HN 0.054 nan 8.380 nan 0.000 0.487 949 N N 0.908 119.614 118.700 0.010 0.000 2.732 949 N HA 0.028 5.040 4.740 0.454 0.000 0.235 949 N C 0.208 175.785 175.510 0.112 0.000 1.466 949 N CA -0.277 52.800 53.050 0.044 0.000 0.751 949 N CB 0.360 38.863 38.487 0.026 0.000 1.317 949 N HN 0.393 nan 8.380 nan 0.000 0.525 950 S N -0.264 115.500 115.700 0.106 0.000 2.461 950 S HA -0.080 4.662 4.470 0.454 0.000 0.228 950 S C 1.478 176.172 174.600 0.157 0.000 1.005 950 S CA 0.571 58.875 58.200 0.173 0.000 0.942 950 S CB 0.087 63.361 63.200 0.124 0.000 0.776 950 S HN 0.594 nan 8.310 nan 0.000 0.514 951 E N 1.720 121.977 120.200 0.096 0.000 2.033 951 E HA -0.231 4.391 4.350 0.454 0.000 0.199 951 E C 1.748 178.394 176.600 0.078 0.000 1.011 951 E CA 1.246 57.687 56.400 0.067 0.000 0.815 951 E CB -0.040 29.689 29.700 0.047 0.000 0.755 951 E HN 0.211 nan 8.360 nan 0.000 0.451 952 K N 0.027 120.488 120.400 0.102 0.000 2.097 952 K HA -0.139 4.453 4.320 0.454 0.000 0.206 952 K C 1.978 178.678 176.600 0.167 0.000 1.049 952 K CA 0.878 57.233 56.287 0.114 0.000 0.933 952 K CB -0.606 31.957 32.500 0.105 0.000 0.717 952 K HN 0.229 nan 8.250 nan 0.000 0.442 953 F N 2.399 122.403 119.950 0.090 0.000 2.206 953 F HA -0.101 4.699 4.527 0.454 0.000 0.298 953 F C 1.869 177.808 175.800 0.231 0.000 1.090 953 F CA 1.290 59.390 58.000 0.167 0.000 1.323 953 F CB 0.257 39.336 39.000 0.133 0.000 1.028 953 F HN -0.016 nan 8.300 nan 0.000 0.492 954 E N 0.162 120.390 120.200 0.046 0.000 2.230 954 E HA -0.043 4.579 4.350 0.454 0.000 0.192 954 E C 2.312 178.785 176.600 -0.212 0.000 0.987 954 E CA 0.326 56.671 56.400 -0.093 0.000 0.841 954 E CB -0.287 29.424 29.700 0.019 0.000 0.783 954 E HN 0.474 nan 8.360 nan 0.000 0.481 955 R N 0.263 120.650 120.500 -0.188 0.000 2.096 955 R HA -0.159 4.453 4.340 0.454 0.000 0.240 955 R C 2.291 178.209 176.300 -0.637 0.000 1.139 955 R CA 1.436 57.300 56.100 -0.393 0.000 0.952 955 R CB -0.610 29.520 30.300 -0.284 0.000 0.854 955 R HN 0.156 nan 8.270 nan 0.000 0.436 956 F N 1.944 121.619 119.950 -0.458 0.000 2.161 956 F HA -0.183 4.617 4.527 0.454 0.000 0.300 956 F C 2.575 178.203 175.800 -0.287 0.000 1.089 956 F CA 1.425 59.253 58.000 -0.288 0.000 1.282 956 F CB -0.212 38.689 39.000 -0.165 0.000 1.010 956 F HN -0.165 nan 8.300 nan 0.000 0.485 957 R N 0.177 120.360 120.500 -0.527 0.000 2.091 957 R HA -0.131 4.481 4.340 0.454 0.000 0.238 957 R C 2.466 178.443 176.300 -0.538 0.000 1.136 957 R CA 1.543 57.233 56.100 -0.684 0.000 0.959 957 R CB -1.109 28.791 30.300 -0.667 0.000 0.856 957 R HN 0.478 nan 8.270 nan 0.000 0.437 958 G N -0.435 108.104 108.800 -0.435 0.000 2.408 958 G HA2 -0.247 3.985 3.960 0.454 0.000 0.217 958 G HA3 -0.247 3.985 3.960 0.454 0.000 0.217 958 G C 0.921 175.705 174.900 -0.192 0.000 1.150 958 G CA 0.483 45.400 45.100 -0.304 0.000 0.776 958 G HN 0.269 nan 8.290 nan 0.000 0.542 959 Y N 0.980 121.128 120.300 -0.254 0.000 2.053 959 Y HA -0.175 4.648 4.550 0.454 0.000 0.277 959 Y C 3.228 178.939 175.900 -0.316 0.000 1.159 959 Y CA 0.332 58.272 58.100 -0.267 0.000 1.125 959 Y CB -1.360 36.951 38.460 -0.250 0.000 0.969 959 Y HN 0.221 nan 8.280 nan 0.000 0.492 960 C N 0.064 119.250 119.300 -0.190 0.000 2.393 960 C HA -0.238 4.495 4.460 0.454 0.000 0.276 960 C C 2.618 177.529 174.990 -0.131 0.000 1.215 960 C CA 1.281 60.226 59.018 -0.121 0.000 1.743 960 C CB -1.151 26.556 27.740 -0.055 0.000 2.044 960 C HN 0.572 nan 8.230 nan 0.000 0.464 961 E N 0.189 120.285 120.200 -0.173 0.000 2.085 961 E HA -0.215 4.408 4.350 0.454 0.000 0.194 961 E C 2.409 178.941 176.600 -0.114 0.000 0.994 961 E CA 1.195 57.490 56.400 -0.175 0.000 0.801 961 E CB -0.228 29.381 29.700 -0.152 0.000 0.743 961 E HN 0.597 nan 8.360 nan 0.000 0.453 962 R N 0.445 120.889 120.500 -0.093 0.000 2.070 962 R HA -0.129 4.483 4.340 0.454 0.000 0.232 962 R C 2.460 178.726 176.300 -0.058 0.000 1.138 962 R CA 1.288 57.352 56.100 -0.061 0.000 0.936 962 R CB -0.437 29.834 30.300 -0.049 0.000 0.839 962 R HN 0.118 nan 8.270 nan 0.000 0.429 963 A N 0.452 123.161 122.820 -0.185 0.000 1.892 963 A HA -0.272 4.321 4.320 0.454 0.000 0.218 963 A C 2.062 179.785 177.584 0.230 0.000 1.188 963 A CA 1.716 53.613 52.037 -0.232 0.000 0.631 963 A CB -0.935 17.669 19.000 -0.660 0.000 0.822 963 A HN 0.509 nan 8.150 nan 0.000 0.447 964 Y N 1.776 122.017 120.300 -0.098 0.000 2.114 964 Y HA -0.235 4.587 4.550 0.454 0.000 0.284 964 Y C 2.963 178.799 175.900 -0.107 0.000 1.143 964 Y CA 2.666 60.657 58.100 -0.182 0.000 1.135 964 Y CB -0.837 37.175 38.460 -0.747 0.000 0.980 964 Y HN 0.468 nan 8.280 nan 0.000 0.499 965 T N -1.401 113.068 114.554 -0.143 0.000 2.788 965 T HA -0.212 4.410 4.350 0.454 0.000 0.268 965 T C 1.978 176.625 174.700 -0.089 0.000 1.044 965 T CA 1.774 63.774 62.100 -0.166 0.000 1.139 965 T CB -0.922 67.908 68.868 -0.064 0.000 0.867 965 T HN 0.405 nan 8.240 nan 0.000 0.454 966 I N 1.054 121.654 120.570 0.050 0.000 2.179 966 I HA -0.093 4.350 4.170 0.454 0.000 0.242 966 I C 2.578 178.785 176.117 0.151 0.000 1.088 966 I CA 1.198 62.590 61.300 0.153 0.000 1.357 966 I CB -0.418 37.789 38.000 0.345 0.000 1.051 966 I HN 0.196 nan 8.210 nan 0.000 0.409 967 L N 0.030 121.332 121.223 0.131 0.000 2.042 967 L HA -0.235 4.378 4.340 0.454 0.000 0.210 967 L C 2.752 179.619 176.870 -0.006 0.000 1.076 967 L CA 1.449 56.332 54.840 0.073 0.000 0.749 967 L CB -0.683 41.327 42.059 -0.082 0.000 0.893 967 L HN 0.217 nan 8.230 nan 0.000 0.432 968 R N -0.178 120.210 120.500 -0.187 0.000 2.105 968 R HA -0.171 4.442 4.340 0.454 0.000 0.239 968 R C 2.406 178.641 176.300 -0.109 0.000 1.135 968 R CA 1.266 57.245 56.100 -0.202 0.000 0.967 968 R CB -0.278 29.836 30.300 -0.310 0.000 0.861 968 R HN 0.298 nan 8.270 nan 0.000 0.442 969 R N -0.481 119.946 120.500 -0.121 0.000 2.159 969 R HA -0.127 4.486 4.340 0.454 0.000 0.237 969 R C 0.832 176.955 176.300 -0.294 0.000 1.131 969 R CA 1.351 57.327 56.100 -0.207 0.000 0.982 969 R CB -0.052 30.091 30.300 -0.261 0.000 0.868 969 R HN 0.427 nan 8.270 nan 0.000 0.453 970 H N -1.976 117.127 119.070 0.055 0.000 2.505 970 H HA 0.198 5.027 4.556 0.455 0.000 0.289 970 H C 1.585 177.033 175.328 0.199 0.000 1.052 970 H CA 0.110 56.214 56.048 0.093 0.000 1.156 970 H CB 0.673 30.489 29.762 0.090 0.000 1.507 970 H HN 0.263 nan 8.280 nan 0.000 0.548 971 G N 1.075 109.989 108.800 0.190 0.000 2.556 971 G HA2 -0.310 3.922 3.960 0.454 0.000 0.220 971 G HA3 -0.310 3.922 3.960 0.454 0.000 0.220 971 G C 1.525 176.488 174.900 0.105 0.000 1.156 971 G CA 0.989 46.175 45.100 0.144 0.000 0.766 971 G HN 0.365 nan 8.290 nan 0.000 0.583 972 L N -0.353 120.865 121.223 -0.008 0.000 2.079 972 L HA -0.065 4.548 4.340 0.454 0.000 0.210 972 L C 2.699 179.413 176.870 -0.261 0.000 1.081 972 L CA 0.703 55.427 54.840 -0.194 0.000 0.752 972 L CB -0.405 41.573 42.059 -0.136 0.000 0.896 972 L HN 0.261 nan 8.230 nan 0.000 0.433 973 L N -0.927 120.267 121.223 -0.049 0.000 2.083 973 L HA -0.190 4.423 4.340 0.454 0.000 0.209 973 L C 2.164 178.940 176.870 -0.156 0.000 1.083 973 L CA 1.781 56.557 54.840 -0.107 0.000 0.752 973 L CB -0.413 41.557 42.059 -0.149 0.000 0.899 973 L HN 0.031 nan 8.230 nan 0.000 0.433 974 F N -1.218 118.732 119.950 0.001 0.000 2.163 974 F HA -0.125 4.675 4.527 0.454 0.000 0.297 974 F C 2.237 178.154 175.800 0.193 0.000 1.094 974 F CA 0.968 59.045 58.000 0.127 0.000 1.290 974 F CB -0.517 38.548 39.000 0.110 0.000 1.017 974 F HN -0.051 nan 8.300 nan 0.000 0.483 975 L N -0.424 120.899 121.223 0.167 0.000 1.990 975 L HA -0.304 4.309 4.340 0.454 0.000 0.213 975 L C 2.454 179.387 176.870 0.106 0.000 1.072 975 L CA 2.053 56.926 54.840 0.055 0.000 0.755 975 L CB -1.110 40.877 42.059 -0.120 0.000 0.889 975 L HN 0.284 nan 8.230 nan 0.000 0.432 976 H N -0.672 118.454 119.070 0.094 0.000 2.387 976 H HA -0.154 4.675 4.556 0.454 0.000 0.299 976 H C 2.380 177.720 175.328 0.020 0.000 1.090 976 H CA 0.917 56.989 56.048 0.040 0.000 1.332 976 H CB 0.051 29.796 29.762 -0.029 0.000 1.386 976 H HN 0.249 nan 8.280 nan 0.000 0.516 977 L N -0.550 120.732 121.223 0.099 0.000 2.056 977 L HA -0.153 4.460 4.340 0.454 0.000 0.207 977 L C 1.866 178.710 176.870 -0.043 0.000 1.078 977 L CA 0.936 55.752 54.840 -0.041 0.000 0.749 977 L CB -0.305 41.662 42.059 -0.153 0.000 0.901 977 L HN 0.229 nan 8.230 nan 0.000 0.433 978 F N -0.009 119.968 119.950 0.045 0.000 2.146 978 F HA -0.188 4.612 4.527 0.454 0.000 0.298 978 F C 2.613 178.446 175.800 0.056 0.000 1.096 978 F CA 1.147 59.180 58.000 0.055 0.000 1.275 978 F CB -0.757 38.276 39.000 0.055 0.000 1.008 978 F HN 0.011 nan 8.300 nan 0.000 0.480 979 A N 0.596 123.566 122.820 0.250 0.000 1.881 979 A HA -0.256 4.337 4.320 0.454 0.000 0.219 979 A C 2.204 179.886 177.584 0.163 0.000 1.215 979 A CA 2.164 54.315 52.037 0.190 0.000 0.648 979 A CB -1.326 17.798 19.000 0.208 0.000 0.832 979 A HN 0.411 nan 8.150 nan 0.000 0.455 980 L N -1.245 120.051 121.223 0.123 0.000 2.275 980 L HA -0.139 4.473 4.340 0.454 0.000 0.215 980 L C 2.535 179.409 176.870 0.007 0.000 1.119 980 L CA 0.565 55.465 54.840 0.099 0.000 0.790 980 L CB -0.416 41.666 42.059 0.038 0.000 0.919 980 L HN 0.358 nan 8.230 nan 0.000 0.443 981 M N -0.614 118.972 119.600 -0.023 0.000 2.394 981 M HA -0.086 4.667 4.480 0.454 0.000 0.264 981 M C 2.194 178.476 176.300 -0.031 0.000 1.073 981 M CA 1.261 56.514 55.300 -0.077 0.000 1.111 981 M CB -0.860 31.658 32.600 -0.135 0.000 1.401 981 M HN 0.184 nan 8.290 nan 0.000 0.448 982 R N 0.147 120.674 120.500 0.044 0.000 2.174 982 R HA -0.167 4.445 4.340 0.454 0.000 0.253 982 R C 2.033 178.329 176.300 -0.007 0.000 1.165 982 R CA 1.546 57.676 56.100 0.049 0.000 0.984 982 R CB -0.743 29.616 30.300 0.097 0.000 0.873 982 R HN 0.393 nan 8.270 nan 0.000 0.456 983 A N 0.910 123.688 122.820 -0.071 0.000 2.131 983 A HA -0.082 4.511 4.320 0.454 0.000 0.220 983 A C 2.227 179.670 177.584 -0.235 0.000 1.158 983 A CA 1.552 53.413 52.037 -0.294 0.000 0.665 983 A CB -0.390 18.066 19.000 -0.905 0.000 0.795 983 A HN 0.424 nan 8.150 nan 0.000 0.460 984 A N -1.801 120.926 122.820 -0.156 0.000 2.021 984 A HA 0.378 4.970 4.320 0.454 0.000 0.216 984 A C 2.054 179.575 177.584 -0.105 0.000 1.163 984 A CA 1.360 53.319 52.037 -0.130 0.000 0.676 984 A CB -0.777 18.159 19.000 -0.108 0.000 0.818 984 A HN 1.837 nan 8.150 nan 0.000 0.453 985 G N -1.772 106.976 108.800 -0.086 0.000 2.159 985 G HA2 -0.190 4.043 3.960 0.454 0.000 0.256 985 G HA3 -0.190 4.043 3.960 0.454 0.000 0.256 985 G C -0.044 174.835 174.900 -0.035 0.000 0.977 985 G CA 0.205 45.264 45.100 -0.069 0.000 0.652 985 G HN 0.406 nan 8.290 nan 0.000 0.531 986 L N 0.874 122.086 121.223 -0.019 0.000 2.559 986 L HA 0.252 4.864 4.340 0.454 0.000 0.274 986 L C -0.211 176.679 176.870 0.033 0.000 1.205 986 L CA -0.503 54.343 54.840 0.010 0.000 0.907 986 L CB 0.606 42.685 42.059 0.034 0.000 1.153 986 L HN -0.057 nan 8.230 nan 0.000 0.490 987 P HA -0.150 nan 4.420 nan 0.000 0.218 987 P C 0.451 177.779 177.300 0.046 0.000 1.148 987 P CA 1.201 64.320 63.100 0.031 0.000 0.822 987 P CB 0.218 31.933 31.700 0.026 0.000 0.784 988 E N -1.265 118.986 120.200 0.086 0.000 2.419 988 E HA 0.120 4.743 4.350 0.454 0.000 0.190 988 E C -0.011 176.632 176.600 0.070 0.000 1.040 988 E CA -0.084 56.364 56.400 0.080 0.000 0.900 988 E CB 0.018 29.809 29.700 0.152 0.000 1.054 988 E HN 0.111 nan 8.360 nan 0.000 0.462 989 L N 0.487 121.771 121.223 0.102 0.000 2.678 989 L HA 0.212 4.825 4.340 0.454 0.000 0.250 989 L C 0.329 177.224 176.870 0.041 0.000 1.455 989 L CA 0.130 55.025 54.840 0.092 0.000 0.823 989 L CB 0.784 42.964 42.059 0.202 0.000 1.107 989 L HN -0.172 nan 8.230 nan 0.000 0.514 990 S N -0.982 114.724 115.700 0.010 0.000 2.460 990 S HA 0.197 4.940 4.470 0.454 0.000 0.226 990 S C 0.709 175.303 174.600 -0.010 0.000 1.057 990 S CA 0.428 58.626 58.200 -0.004 0.000 0.948 990 S CB 0.177 63.376 63.200 -0.003 0.000 0.822 990 S HN 0.724 nan 8.310 nan 0.000 0.512 991 C N -0.543 118.752 119.300 -0.008 0.000 3.127 991 C HA 0.604 5.336 4.460 0.454 0.000 0.370 991 C C 1.725 176.712 174.990 -0.005 0.000 3.214 991 C CA -0.053 58.960 59.018 -0.008 0.000 1.228 991 C CB 0.665 28.398 27.740 -0.011 0.000 3.625 991 C HN 0.202 nan 8.230 nan 0.000 0.433 992 S N 1.399 117.096 115.700 -0.005 0.000 2.355 992 S HA -0.104 4.638 4.470 0.454 0.000 0.222 992 S C 1.618 176.211 174.600 -0.012 0.000 1.031 992 S CA 1.280 59.477 58.200 -0.006 0.000 0.993 992 S CB -0.401 62.797 63.200 -0.005 0.000 0.859 992 S HN 0.699 nan 8.310 nan 0.000 0.453 993 K N 1.481 121.877 120.400 -0.006 0.000 2.286 993 K HA -0.114 4.479 4.320 0.454 0.000 0.203 993 K C 1.166 177.758 176.600 -0.013 0.000 1.045 993 K CA 1.160 57.447 56.287 0.000 0.000 0.935 993 K CB -0.543 31.970 32.500 0.021 0.000 0.737 993 K HN 0.417 nan 8.250 nan 0.000 0.460 994 D N 0.541 120.914 120.400 -0.044 0.000 2.137 994 D HA -0.054 4.859 4.640 0.454 0.000 0.202 994 D C 1.803 178.029 176.300 -0.124 0.000 0.970 994 D CA 0.604 54.538 54.000 -0.110 0.000 0.837 994 D CB 0.018 40.745 40.800 -0.121 0.000 0.981 994 D HN 0.099 nan 8.370 nan 0.000 0.475 995 I N 0.765 121.289 120.570 -0.077 0.000 3.059 995 I HA -0.081 4.362 4.170 0.454 0.000 0.270 995 I C 2.162 178.230 176.117 -0.082 0.000 1.238 995 I CA 0.550 61.797 61.300 -0.089 0.000 1.478 995 I CB -0.821 37.167 38.000 -0.020 0.000 1.097 995 I HN -0.048 nan 8.210 nan 0.000 0.455 996 Q N 1.176 120.944 119.800 -0.053 0.000 2.084 996 Q HA -0.244 4.368 4.340 0.454 0.000 0.202 996 Q C 2.273 178.224 176.000 -0.081 0.000 0.978 996 Q CA 1.754 57.523 55.803 -0.057 0.000 0.844 996 Q CB -0.667 28.049 28.738 -0.036 0.000 0.898 996 Q HN 0.518 nan 8.270 nan 0.000 0.426 997 Y N -0.081 120.112 120.300 -0.179 0.000 2.114 997 Y HA -0.273 4.550 4.550 0.455 0.000 0.282 997 Y C 1.828 177.589 175.900 -0.231 0.000 1.165 997 Y CA 1.893 59.868 58.100 -0.208 0.000 1.148 997 Y CB -0.112 38.183 38.460 -0.275 0.000 0.972 997 Y HN 0.163 nan 8.280 nan 0.000 0.504 998 L N -0.017 121.153 121.223 -0.088 0.000 1.994 998 L HA -0.286 4.327 4.340 0.454 0.000 0.208 998 L C 2.474 179.252 176.870 -0.154 0.000 1.071 998 L CA 1.737 56.469 54.840 -0.179 0.000 0.745 998 L CB -0.516 41.355 42.059 -0.313 0.000 0.892 998 L HN 0.189 nan 8.230 nan 0.000 0.431 999 K N -0.183 120.137 120.400 -0.133 0.000 2.077 999 K HA -0.257 4.336 4.320 0.454 0.000 0.213 999 K C 1.677 178.207 176.600 -0.116 0.000 1.051 999 K CA 2.042 58.264 56.287 -0.108 0.000 0.929 999 K CB -0.372 32.075 32.500 -0.089 0.000 0.715 999 K HN 0.410 nan 8.250 nan 0.000 0.451 1000 D N 0.053 120.357 120.400 -0.160 0.000 2.103 1000 D HA -0.099 4.813 4.640 0.454 0.000 0.199 1000 D C 2.211 178.435 176.300 -0.127 0.000 0.978 1000 D CA 1.601 55.496 54.000 -0.174 0.000 0.829 1000 D CB -0.267 40.385 40.800 -0.247 0.000 0.981 1000 D HN 0.227 nan 8.370 nan 0.000 0.464 1001 S N 0.936 116.526 115.700 -0.184 0.000 2.356 1001 S HA -0.099 4.644 4.470 0.454 0.000 0.223 1001 S C 2.086 176.808 174.600 0.203 0.000 1.032 1001 S CA 0.609 58.761 58.200 -0.080 0.000 1.005 1001 S CB -0.788 62.270 63.200 -0.237 0.000 0.867 1001 S HN 0.212 nan 8.310 nan 0.000 0.449 1002 L N 1.874 123.131 121.223 0.056 0.000 2.675 1002 L HA 0.246 4.859 4.340 0.454 0.000 0.238 1002 L C 1.347 178.239 176.870 0.036 0.000 1.155 1002 L CA 0.116 54.964 54.840 0.013 0.000 0.881 1002 L CB -1.168 40.813 42.059 -0.130 0.000 1.008 1002 L HN 0.506 nan 8.230 nan 0.000 0.443 1003 A N 0.636 123.504 122.820 0.080 0.000 1.991 1003 A HA -0.231 4.362 4.320 0.454 0.000 0.257 1003 A C 1.518 179.082 177.584 -0.033 0.000 1.283 1003 A CA 0.442 52.473 52.037 -0.011 0.000 0.762 1003 A CB -1.029 17.974 19.000 0.005 0.000 1.135 1003 A HN 0.394 nan 8.150 nan 0.000 0.321 1004 L N 0.607 121.796 121.223 -0.056 0.000 2.109 1004 L HA -0.043 4.569 4.340 0.454 0.000 0.207 1004 L C 2.289 179.131 176.870 -0.047 0.000 1.086 1004 L CA 2.502 57.307 54.840 -0.060 0.000 0.760 1004 L CB -1.241 40.779 42.059 -0.065 0.000 0.910 1004 L HN 0.733 nan 8.230 nan 0.000 0.437 1005 G N -0.349 108.422 108.800 -0.047 0.000 2.598 1005 G HA2 -0.127 4.106 3.960 0.454 0.000 0.215 1005 G HA3 -0.127 4.106 3.960 0.454 0.000 0.215 1005 G C 0.955 175.838 174.900 -0.029 0.000 1.131 1005 G CA -0.045 45.033 45.100 -0.037 0.000 0.785 1005 G HN 0.306 nan 8.290 nan 0.000 0.539 1006 K N 0.388 120.770 120.400 -0.030 0.000 2.098 1006 K HA 0.410 5.002 4.320 0.454 0.000 0.244 1006 K C 0.648 177.245 176.600 -0.005 0.000 1.014 1006 K CA -0.281 55.997 56.287 -0.015 0.000 0.917 1006 K CB 0.689 33.181 32.500 -0.013 0.000 1.072 1006 K HN 0.142 nan 8.250 nan 0.000 0.477 1007 T N -2.625 111.933 114.554 0.007 0.000 2.816 1007 T HA 0.065 4.687 4.350 0.454 0.000 0.282 1007 T C 1.137 175.847 174.700 0.017 0.000 0.993 1007 T CA -0.534 61.571 62.100 0.008 0.000 0.994 1007 T CB 1.318 70.193 68.868 0.011 0.000 1.025 1007 T HN 0.648 nan 8.240 nan 0.000 0.529 1008 E N -0.011 120.195 120.200 0.009 0.000 2.077 1008 E HA -0.179 4.443 4.350 0.454 0.000 0.193 1008 E C 1.910 178.533 176.600 0.037 0.000 0.989 1008 E CA 1.219 57.628 56.400 0.015 0.000 0.800 1008 E CB -0.035 29.663 29.700 -0.004 0.000 0.746 1008 E HN 0.834 nan 8.360 nan 0.000 0.452 1009 E N 0.737 120.955 120.200 0.030 0.000 2.058 1009 E HA -0.208 4.415 4.350 0.454 0.000 0.194 1009 E C 1.796 178.429 176.600 0.055 0.000 0.997 1009 E CA 1.601 58.022 56.400 0.035 0.000 0.801 1009 E CB 0.088 29.803 29.700 0.024 0.000 0.746 1009 E HN 0.280 nan 8.360 nan 0.000 0.450 1010 E N -0.291 119.943 120.200 0.056 0.000 2.007 1010 E HA -0.212 4.411 4.350 0.454 0.000 0.194 1010 E C 2.115 178.790 176.600 0.125 0.000 0.999 1010 E CA 0.937 57.381 56.400 0.074 0.000 0.811 1010 E CB -0.308 29.423 29.700 0.052 0.000 0.762 1010 E HN 0.329 nan 8.360 nan 0.000 0.450 1011 A N 1.390 124.288 122.820 0.129 0.000 1.896 1011 A HA -0.252 4.341 4.320 0.454 0.000 0.220 1011 A C 2.187 179.961 177.584 0.316 0.000 1.206 1011 A CA 1.555 53.727 52.037 0.225 0.000 0.647 1011 A CB -0.855 18.260 19.000 0.190 0.000 0.828 1011 A HN 0.207 nan 8.150 nan 0.000 0.455 1012 L N -0.342 121.016 121.223 0.225 0.000 2.013 1012 L HA -0.201 4.412 4.340 0.454 0.000 0.212 1012 L C 2.369 179.338 176.870 0.165 0.000 1.073 1012 L CA 2.701 57.657 54.840 0.194 0.000 0.753 1012 L CB -0.879 41.240 42.059 0.101 0.000 0.890 1012 L HN 0.521 nan 8.230 nan 0.000 0.432 1013 K N -1.335 119.141 120.400 0.126 0.000 2.009 1013 K HA -0.280 4.313 4.320 0.454 0.000 0.210 1013 K C 2.315 178.974 176.600 0.098 0.000 1.049 1013 K CA 1.953 58.293 56.287 0.088 0.000 0.929 1013 K CB -0.450 32.098 32.500 0.080 0.000 0.714 1013 K HN 0.514 nan 8.250 nan 0.000 0.440 1014 H N -1.144 117.969 119.070 0.073 0.000 2.319 1014 H HA -0.171 4.658 4.556 0.454 0.000 0.297 1014 H C 1.769 177.119 175.328 0.037 0.000 1.097 1014 H CA 2.404 58.493 56.048 0.067 0.000 1.285 1014 H CB -0.422 29.407 29.762 0.110 0.000 1.368 1014 H HN 0.321 nan 8.280 nan 0.000 0.495 1015 F N 0.834 120.739 119.950 -0.075 0.000 2.186 1015 F HA -0.046 4.753 4.527 0.454 0.000 0.299 1015 F C 2.508 178.111 175.800 -0.330 0.000 1.090 1015 F CA 1.215 59.021 58.000 -0.324 0.000 1.307 1015 F CB -0.249 38.434 39.000 -0.529 0.000 1.019 1015 F HN -0.004 nan 8.300 nan 0.000 0.489 1016 R N -0.307 120.087 120.500 -0.177 0.000 2.127 1016 R HA -0.146 4.467 4.340 0.454 0.000 0.238 1016 R C 2.161 178.336 176.300 -0.208 0.000 1.134 1016 R CA 1.522 57.490 56.100 -0.220 0.000 0.975 1016 R CB -0.573 29.671 30.300 -0.094 0.000 0.865 1016 R HN 0.260 nan 8.270 nan 0.000 0.447 1017 V N 1.160 120.949 119.914 -0.209 0.000 2.270 1017 V HA -0.255 4.138 4.120 0.454 0.000 0.245 1017 V C 2.177 178.133 176.094 -0.230 0.000 1.043 1017 V CA 1.636 63.828 62.300 -0.180 0.000 1.014 1017 V CB -0.315 31.406 31.823 -0.169 0.000 0.645 1017 V HN 0.257 nan 8.190 nan 0.000 0.447 1018 K N -0.505 119.675 120.400 -0.367 0.000 2.063 1018 K HA -0.208 4.384 4.320 0.454 0.000 0.208 1018 K C 2.105 178.463 176.600 -0.403 0.000 1.048 1018 K CA 1.889 57.961 56.287 -0.358 0.000 0.928 1018 K CB -0.707 31.527 32.500 -0.444 0.000 0.713 1018 K HN 0.521 nan 8.250 nan 0.000 0.442 1019 F N 2.838 122.281 119.950 -0.846 0.000 2.134 1019 F HA -0.198 4.601 4.527 0.454 0.000 0.299 1019 F C 1.868 177.465 175.800 -0.337 0.000 1.097 1019 F CA 1.269 58.742 58.000 -0.878 0.000 1.264 1019 F CB -0.080 38.212 39.000 -1.179 0.000 1.001 1019 F HN 0.041 nan 8.300 nan 0.000 0.479 1020 N N 0.925 119.642 118.700 0.028 0.000 2.058 1020 N HA -0.199 4.814 4.740 0.454 0.000 0.191 1020 N C 1.725 177.215 175.510 -0.033 0.000 1.037 1020 N CA 1.820 54.900 53.050 0.050 0.000 0.848 1020 N CB -0.733 37.774 38.487 0.034 0.000 1.021 1020 N HN 0.456 nan 8.380 nan 0.000 0.422 1021 E N 0.605 120.765 120.200 -0.068 0.000 2.147 1021 E HA -0.203 4.419 4.350 0.454 0.000 0.199 1021 E C 1.794 178.368 176.600 -0.043 0.000 1.005 1021 E CA 1.329 57.698 56.400 -0.052 0.000 0.810 1021 E CB -0.124 29.541 29.700 -0.058 0.000 0.736 1021 E HN 0.403 nan 8.360 nan 0.000 0.460 1022 A N 0.840 123.616 122.820 -0.073 0.000 1.929 1022 A HA -0.122 4.470 4.320 0.454 0.000 0.216 1022 A C 2.114 179.675 177.584 -0.038 0.000 1.176 1022 A CA 0.795 52.817 52.037 -0.026 0.000 0.628 1022 A CB -0.374 18.665 19.000 0.064 0.000 0.816 1022 A HN 0.205 nan 8.150 nan 0.000 0.444 1023 L N -0.112 121.063 121.223 -0.080 0.000 2.093 1023 L HA -0.079 4.534 4.340 0.454 0.000 0.208 1023 L C 2.404 179.274 176.870 -0.001 0.000 1.085 1023 L CA 1.737 56.562 54.840 -0.026 0.000 0.755 1023 L CB -0.564 41.500 42.059 0.008 0.000 0.904 1023 L HN 0.333 nan 8.230 nan 0.000 0.435 1024 R N -0.577 119.920 120.500 -0.005 0.000 2.083 1024 R HA -0.228 4.384 4.340 0.454 0.000 0.237 1024 R C 2.212 178.511 176.300 -0.003 0.000 1.137 1024 R CA 1.623 57.723 56.100 0.000 0.000 0.951 1024 R CB -0.382 29.914 30.300 -0.006 0.000 0.851 1024 R HN 0.326 nan 8.270 nan 0.000 0.434 1025 E N 1.035 121.226 120.200 -0.015 0.000 2.086 1025 E HA -0.137 4.485 4.350 0.454 0.000 0.200 1025 E C 0.285 176.864 176.600 -0.036 0.000 1.012 1025 E CA 1.021 57.400 56.400 -0.036 0.000 0.812 1025 E CB -0.169 29.513 29.700 -0.030 0.000 0.743 1025 E HN 0.074 nan 8.360 nan 0.000 0.453 1026 S N 0.187 115.902 115.700 0.024 0.000 2.629 1026 S HA -0.087 4.655 4.470 0.454 0.000 0.302 1026 S C -0.518 174.205 174.600 0.204 0.000 1.244 1026 S CA -0.164 58.114 58.200 0.129 0.000 1.098 1026 S CB -0.499 62.793 63.200 0.153 0.000 0.858 1026 S HN 0.263 nan 8.310 nan 0.000 0.502 1027 W N 0.000 121.288 121.300 -0.021 0.000 2.388 1027 W HA 0.000 4.932 4.660 0.454 0.000 0.303 1027 W CA 0.000 57.254 57.345 -0.152 0.000 1.226 1027 W CB 0.000 29.210 29.460 -0.416 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535