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 1bk6_1_A DATA FIRST_RESID 89 DATA SEQUENCE LPQMTQQLNS DDMQEQLSAT VKFRQILSRE HRPPIDVVIQ AGVVPRLVEF DATA SEQUENCE MRENQPEMLQ LEAAWALTNI ASGTSAQTKV VVDADAVPLF IQLLYTGSVE DATA SEQUENCE VKEQAIWALG NVAGDSTDYR DYVLQCNAME PILGLFNSNK PSLIRTATWT DATA SEQUENCE LSNLCRGKKP QPDWSVVSQA LPTLAKLIYS MDTETLVDAC WAISYLSDGP DATA SEQUENCE QEAIQAVIDV RIPKRLVELL SHESTLVQTP ALRAVGNIVT GNDLQTQVVI DATA SEQUENCE NAGVLPALRL LLSSPKENIK KEACWTISNI TAGNTEQIQA VIDANLIPPL DATA SEQUENCE VKLLEVAEYK TKKEACWAIS NASSGGLQRP DIIRYLVSQG CIKPLCDLLE DATA SEQUENCE IADNRIIEVT LDALENIIKM GEADKEARGL NINENADFIE KAGGMEKIFN DATA SEQUENCE CQQNENDKIY EKAYKIIETY FG 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 89 L HA 0.000 nan 4.340 nan 0.000 0.249 89 L C 0.000 176.837 176.870 -0.055 0.000 1.165 89 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 89 L CB 0.000 42.001 42.059 -0.096 0.000 0.961 90 P HA 0.092 nan 4.420 nan 0.000 0.219 90 P C 1.975 179.284 177.300 0.013 0.000 1.150 90 P CA 2.548 65.655 63.100 0.012 0.000 0.814 90 P CB 0.263 31.969 31.700 0.010 0.000 0.787 91 Q N -0.103 119.691 119.800 -0.010 0.000 2.112 91 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 91 Q C 2.078 178.079 176.000 0.001 0.000 0.987 91 Q CA 2.425 58.224 55.803 -0.007 0.000 0.858 91 Q CB -1.753 26.970 28.738 -0.024 0.000 0.905 91 Q HN 0.305 nan 8.270 nan 0.000 0.420 92 M N 0.101 119.679 119.600 -0.037 0.000 2.080 92 M HA -0.139 4.341 4.480 -0.000 0.000 0.260 92 M C 2.486 178.881 176.300 0.158 0.000 1.068 92 M CA 2.153 57.427 55.300 -0.042 0.000 1.109 92 M CB -0.462 31.931 32.600 -0.345 0.000 1.342 92 M HN 0.507 nan 8.290 nan 0.000 0.405 93 T N 0.279 114.952 114.554 0.198 0.000 2.684 93 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 93 T C 1.790 176.576 174.700 0.143 0.000 1.036 93 T CA 1.404 63.652 62.100 0.247 0.000 1.148 93 T CB -0.338 68.638 68.868 0.180 0.000 0.863 93 T HN 0.463 nan 8.240 nan 0.000 0.436 94 Q N 0.790 120.646 119.800 0.092 0.000 2.045 94 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 94 Q C 2.638 178.684 176.000 0.076 0.000 0.991 94 Q CA 1.599 57.441 55.803 0.065 0.000 0.851 94 Q CB -0.257 28.506 28.738 0.042 0.000 0.911 94 Q HN 0.611 nan 8.270 nan 0.000 0.418 95 Q N 0.240 120.090 119.800 0.083 0.000 2.014 95 Q HA -0.209 4.131 4.340 -0.000 0.000 0.207 95 Q C 2.218 178.295 176.000 0.128 0.000 0.993 95 Q CA 1.289 57.144 55.803 0.088 0.000 0.850 95 Q CB -0.309 28.475 28.738 0.077 0.000 0.916 95 Q HN 0.255 nan 8.270 nan 0.000 0.417 96 L N 1.439 122.774 121.223 0.187 0.000 2.137 96 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 96 L C 1.081 178.063 176.870 0.187 0.000 1.085 96 L CA 1.624 56.602 54.840 0.230 0.000 0.760 96 L CB -0.237 41.955 42.059 0.221 0.000 0.893 96 L HN 0.222 nan 8.230 nan 0.000 0.434 97 N N -1.228 117.541 118.700 0.115 0.000 2.276 97 N HA 0.052 4.792 4.740 -0.000 0.000 0.212 97 N C 0.291 175.848 175.510 0.079 0.000 1.127 97 N CA 0.176 53.273 53.050 0.078 0.000 0.834 97 N CB 0.251 38.761 38.487 0.038 0.000 1.014 97 N HN 0.228 nan 8.380 nan 0.000 0.491 98 S N 0.316 116.071 115.700 0.092 0.000 2.601 98 S HA 0.111 4.581 4.470 -0.000 0.000 0.271 98 S C 0.881 175.521 174.600 0.068 0.000 1.305 98 S CA -0.408 57.831 58.200 0.066 0.000 1.022 98 S CB 1.140 64.373 63.200 0.055 0.000 0.940 98 S HN 0.080 nan 8.310 nan 0.000 0.525 99 D N 1.069 121.496 120.400 0.046 0.000 2.317 99 D HA -0.023 4.617 4.640 -0.000 0.000 0.211 99 D C 0.038 176.354 176.300 0.027 0.000 0.966 99 D CA 0.554 54.578 54.000 0.040 0.000 0.876 99 D CB -0.038 40.779 40.800 0.028 0.000 0.927 99 D HN 0.587 nan 8.370 nan 0.000 0.519 100 D N 1.237 121.650 120.400 0.021 0.000 2.346 100 D HA -0.043 4.597 4.640 -0.000 0.000 0.260 100 D C 1.389 177.684 176.300 -0.007 0.000 1.252 100 D CA -0.235 53.769 54.000 0.007 0.000 0.895 100 D CB 1.086 41.890 40.800 0.007 0.000 1.097 100 D HN -0.175 nan 8.370 nan 0.000 0.489 101 M N 4.445 124.030 119.600 -0.024 0.000 2.226 101 M HA -0.303 4.177 4.480 -0.000 0.000 0.257 101 M C 1.982 178.242 176.300 -0.066 0.000 1.070 101 M CA 2.064 57.328 55.300 -0.059 0.000 1.087 101 M CB -0.619 31.949 32.600 -0.053 0.000 1.278 101 M HN 0.595 nan 8.290 nan 0.000 0.426 102 Q N -0.707 119.068 119.800 -0.042 0.000 2.112 102 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 102 Q C 1.843 177.826 176.000 -0.028 0.000 0.987 102 Q CA 2.591 58.372 55.803 -0.036 0.000 0.858 102 Q CB -0.139 28.585 28.738 -0.023 0.000 0.905 102 Q HN 0.669 nan 8.270 nan 0.000 0.420 103 E N 0.046 120.238 120.200 -0.013 0.000 2.204 103 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 103 E C 1.863 178.475 176.600 0.020 0.000 0.989 103 E CA 1.284 57.688 56.400 0.006 0.000 0.824 103 E CB -0.138 29.573 29.700 0.019 0.000 0.756 103 E HN 0.614 nan 8.360 nan 0.000 0.477 104 Q N -0.526 119.271 119.800 -0.005 0.000 2.083 104 Q HA 0.004 4.344 4.340 -0.000 0.000 0.198 104 Q C 2.340 178.307 176.000 -0.056 0.000 0.969 104 Q CA 1.098 56.899 55.803 -0.005 0.000 0.838 104 Q CB -0.241 28.417 28.738 -0.133 0.000 0.900 104 Q HN 0.279 nan 8.270 nan 0.000 0.436 105 L N 0.519 121.678 121.223 -0.107 0.000 2.141 105 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 105 L C 2.326 179.181 176.870 -0.026 0.000 1.094 105 L CA 1.710 56.496 54.840 -0.091 0.000 0.763 105 L CB -0.614 41.391 42.059 -0.090 0.000 0.908 105 L HN 0.083 nan 8.230 nan 0.000 0.437 106 S N -0.843 114.850 115.700 -0.012 0.000 2.368 106 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 106 S C 2.125 176.736 174.600 0.020 0.000 1.029 106 S CA 1.131 59.328 58.200 -0.005 0.000 0.988 106 S CB -0.343 62.853 63.200 -0.007 0.000 0.838 106 S HN 0.623 nan 8.310 nan 0.000 0.462 107 A N 0.388 123.253 122.820 0.074 0.000 1.897 107 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 107 A C 2.340 180.099 177.584 0.290 0.000 1.181 107 A CA 1.962 54.100 52.037 0.168 0.000 0.620 107 A CB -1.379 17.774 19.000 0.254 0.000 0.821 107 A HN 0.573 nan 8.150 nan 0.000 0.443 108 T N -0.319 114.373 114.554 0.230 0.000 2.867 108 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 108 T C 1.855 176.624 174.700 0.114 0.000 1.057 108 T CA 1.457 63.694 62.100 0.228 0.000 1.136 108 T CB -0.289 68.690 68.868 0.184 0.000 0.874 108 T HN 0.149 nan 8.240 nan 0.000 0.466 109 V N 1.300 121.233 119.914 0.032 0.000 2.307 109 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 109 V C 2.703 178.742 176.094 -0.091 0.000 1.045 109 V CA 1.580 63.843 62.300 -0.061 0.000 1.024 109 V CB -0.568 31.219 31.823 -0.060 0.000 0.651 109 V HN 0.345 nan 8.190 nan 0.000 0.449 110 K N -0.787 119.573 120.400 -0.066 0.000 2.032 110 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 110 K C 1.908 178.412 176.600 -0.160 0.000 1.048 110 K CA 1.672 57.876 56.287 -0.138 0.000 0.927 110 K CB -0.852 31.538 32.500 -0.183 0.000 0.712 110 K HN 0.539 nan 8.250 nan 0.000 0.441 111 F N 1.106 121.008 119.950 -0.079 0.000 2.134 111 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 111 F C 2.730 178.451 175.800 -0.133 0.000 1.097 111 F CA 1.461 59.416 58.000 -0.075 0.000 1.264 111 F CB -0.231 38.748 39.000 -0.035 0.000 1.001 111 F HN 0.005 nan 8.300 nan 0.000 0.479 112 R N 0.856 121.347 120.500 -0.015 0.000 2.115 112 R HA -0.136 4.203 4.340 -0.000 0.000 0.230 112 R C 1.920 177.983 176.300 -0.397 0.000 1.111 112 R CA 1.416 57.348 56.100 -0.280 0.000 0.976 112 R CB -0.488 29.526 30.300 -0.477 0.000 0.870 112 R HN 0.383 nan 8.270 nan 0.000 0.445 113 Q N 0.387 120.006 119.800 -0.301 0.000 2.050 113 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 113 Q C 2.089 177.991 176.000 -0.162 0.000 0.980 113 Q CA 1.927 57.576 55.803 -0.256 0.000 0.840 113 Q CB -0.235 28.388 28.738 -0.191 0.000 0.898 113 Q HN 0.530 nan 8.270 nan 0.000 0.424 114 I N -2.453 118.044 120.570 -0.123 0.000 3.444 114 I HA -0.046 4.124 4.170 -0.000 0.000 0.287 114 I C 1.226 177.319 176.117 -0.039 0.000 1.302 114 I CA 0.728 61.982 61.300 -0.077 0.000 1.368 114 I CB -0.021 37.930 38.000 -0.082 0.000 1.048 114 I HN 0.074 nan 8.210 nan 0.000 0.487 115 L N 0.103 121.298 121.223 -0.048 0.000 2.640 115 L HA 0.239 4.579 4.340 -0.000 0.000 0.230 115 L C 1.388 178.257 176.870 -0.003 0.000 1.123 115 L CA 0.144 54.979 54.840 -0.007 0.000 0.900 115 L CB 0.182 42.248 42.059 0.011 0.000 1.146 115 L HN 0.124 nan 8.230 nan 0.000 0.484 116 S N -0.698 114.978 115.700 -0.041 0.000 2.593 116 S HA 0.243 4.713 4.470 -0.000 0.000 0.236 116 S C 0.829 175.443 174.600 0.023 0.000 0.991 116 S CA -0.493 57.720 58.200 0.021 0.000 0.963 116 S CB 0.158 63.352 63.200 -0.009 0.000 0.865 116 S HN 0.252 nan 8.310 nan 0.000 0.488 117 R N 1.251 121.753 120.500 0.003 0.000 3.073 117 R HA 0.234 4.574 4.340 -0.000 0.000 0.290 117 R C 1.764 178.079 176.300 0.024 0.000 1.130 117 R CA 0.789 56.893 56.100 0.006 0.000 1.186 117 R CB 0.072 30.372 30.300 0.000 0.000 1.166 117 R HN 0.375 nan 8.270 nan 0.000 0.563 118 E N -0.251 119.962 120.200 0.021 0.000 2.307 118 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 118 E C 1.311 177.924 176.600 0.023 0.000 0.975 118 E CA 1.257 57.673 56.400 0.026 0.000 0.878 118 E CB -0.590 29.123 29.700 0.022 0.000 0.845 118 E HN 0.761 nan 8.360 nan 0.000 0.488 119 H N -0.965 118.116 119.070 0.017 0.000 2.839 119 H HA 0.780 5.336 4.556 -0.000 0.000 0.211 119 H C 1.368 176.707 175.328 0.019 0.000 1.535 119 H CA 0.265 56.322 56.048 0.016 0.000 1.621 119 H CB -0.497 29.271 29.762 0.010 0.000 1.522 119 H HN 0.724 nan 8.280 nan 0.000 0.873 120 R N 2.537 123.047 120.500 0.017 0.000 2.309 120 R HA 0.328 4.668 4.340 -0.000 0.000 0.331 120 R C -2.357 173.955 176.300 0.020 0.000 1.116 120 R CA -0.979 55.133 56.100 0.020 0.000 0.970 120 R CB -1.455 28.855 30.300 0.018 0.000 1.024 120 R HN 0.836 nan 8.270 nan 0.000 0.472 121 P HA 0.102 nan 4.420 nan 0.000 0.271 121 P C -2.520 174.798 177.300 0.030 0.000 1.233 121 P CA -1.270 61.846 63.100 0.027 0.000 0.764 121 P CB 1.260 32.982 31.700 0.037 0.000 0.825 122 P HA 0.118 nan 4.420 nan 0.000 0.238 122 P C 1.168 178.495 177.300 0.046 0.000 1.729 122 P CA -0.063 63.056 63.100 0.031 0.000 1.055 122 P CB -0.159 31.554 31.700 0.022 0.000 1.980 123 I N 0.547 121.145 120.570 0.046 0.000 2.113 123 I HA -0.208 3.962 4.170 -0.000 0.000 0.238 123 I C 2.055 178.202 176.117 0.050 0.000 1.070 123 I CA 1.399 62.731 61.300 0.053 0.000 1.332 123 I CB -0.470 37.561 38.000 0.053 0.000 1.044 123 I HN 0.118 nan 8.210 nan 0.000 0.402 124 D N 0.728 121.153 120.400 0.041 0.000 2.133 124 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 124 D C 2.345 178.669 176.300 0.039 0.000 0.997 124 D CA 1.327 55.348 54.000 0.036 0.000 0.840 124 D CB -0.225 40.593 40.800 0.029 0.000 0.947 124 D HN 0.154 nan 8.370 nan 0.000 0.452 125 V N 0.976 120.916 119.914 0.043 0.000 2.255 125 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 125 V C 2.769 178.908 176.094 0.075 0.000 1.051 125 V CA 1.253 63.583 62.300 0.049 0.000 1.018 125 V CB -0.721 31.128 31.823 0.044 0.000 0.641 125 V HN 0.051 nan 8.190 nan 0.000 0.445 126 V N -0.010 119.964 119.914 0.099 0.000 2.287 126 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 126 V C 2.217 178.347 176.094 0.060 0.000 1.053 126 V CA 2.377 64.764 62.300 0.145 0.000 1.027 126 V CB -0.609 31.311 31.823 0.161 0.000 0.646 126 V HN 0.457 nan 8.190 nan 0.000 0.447 127 I N -0.445 120.146 120.570 0.035 0.000 2.208 127 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 127 I C 2.666 178.787 176.117 0.006 0.000 1.097 127 I CA 1.647 62.951 61.300 0.007 0.000 1.363 127 I CB -0.453 37.556 38.000 0.015 0.000 1.051 127 I HN 0.367 nan 8.210 nan 0.000 0.413 128 Q N 0.524 120.338 119.800 0.023 0.000 2.170 128 Q HA -0.154 4.185 4.340 -0.000 0.000 0.203 128 Q C 2.368 178.382 176.000 0.023 0.000 0.976 128 Q CA 1.493 57.309 55.803 0.021 0.000 0.858 128 Q CB -0.226 28.527 28.738 0.026 0.000 0.907 128 Q HN 0.584 nan 8.270 nan 0.000 0.433 129 A N 0.273 123.119 122.820 0.042 0.000 2.125 129 A HA 0.056 4.376 4.320 -0.000 0.000 0.219 129 A C 1.508 179.098 177.584 0.010 0.000 1.156 129 A CA 1.015 53.085 52.037 0.055 0.000 0.671 129 A CB -0.698 18.383 19.000 0.134 0.000 0.794 129 A HN 0.486 nan 8.150 nan 0.000 0.459 130 G N -1.313 107.475 108.800 -0.020 0.000 2.225 130 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.264 130 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.264 130 G C 0.734 175.577 174.900 -0.095 0.000 1.060 130 G CA 0.853 45.924 45.100 -0.048 0.000 0.833 130 G HN 1.609 nan 8.290 nan 0.000 0.498 131 V N -3.598 116.226 119.914 -0.150 0.000 3.644 131 V HA 0.245 4.365 4.120 -0.000 0.000 0.267 131 V C 2.312 178.240 176.094 -0.277 0.000 1.277 131 V CA 1.246 63.390 62.300 -0.260 0.000 1.096 131 V CB 0.136 31.674 31.823 -0.476 0.000 0.828 131 V HN 0.297 nan 8.190 nan 0.000 0.446 132 V N 2.043 121.837 119.914 -0.200 0.000 2.250 132 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 132 V C 0.820 176.805 176.094 -0.183 0.000 1.060 132 V CA 3.179 65.378 62.300 -0.168 0.000 1.030 132 V CB -1.865 29.899 31.823 -0.099 0.000 0.643 132 V HN 0.549 nan 8.190 nan 0.000 0.445 133 P HA -0.190 nan 4.420 nan 0.000 0.218 133 P C 1.522 178.676 177.300 -0.242 0.000 1.149 133 P CA 1.460 64.458 63.100 -0.170 0.000 0.817 133 P CB -0.040 31.583 31.700 -0.129 0.000 0.785 134 R N 0.497 120.818 120.500 -0.298 0.000 2.115 134 R HA 0.031 4.371 4.340 -0.000 0.000 0.230 134 R C 2.404 178.257 176.300 -0.744 0.000 1.111 134 R CA 1.124 56.951 56.100 -0.456 0.000 0.976 134 R CB -1.572 28.495 30.300 -0.388 0.000 0.870 134 R HN 0.178 nan 8.270 nan 0.000 0.445 135 L N -0.608 120.305 121.223 -0.517 0.000 2.240 135 L HA -0.005 4.335 4.340 -0.000 0.000 0.211 135 L C 1.935 178.648 176.870 -0.262 0.000 1.106 135 L CA 0.324 54.917 54.840 -0.412 0.000 0.793 135 L CB -0.116 41.813 42.059 -0.216 0.000 0.927 135 L HN -0.012 nan 8.230 nan 0.000 0.446 136 V N -0.209 119.555 119.914 -0.251 0.000 2.667 136 V HA -0.197 3.923 4.120 -0.000 0.000 0.252 136 V C 2.241 178.239 176.094 -0.160 0.000 1.065 136 V CA 1.410 63.595 62.300 -0.192 0.000 1.083 136 V CB -0.393 31.316 31.823 -0.190 0.000 0.692 136 V HN 0.455 nan 8.190 nan 0.000 0.468 137 E N -0.031 120.034 120.200 -0.224 0.000 2.072 137 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 137 E C 1.909 178.553 176.600 0.073 0.000 0.985 137 E CA 1.126 57.455 56.400 -0.119 0.000 0.801 137 E CB -0.180 29.411 29.700 -0.181 0.000 0.750 137 E HN 0.555 nan 8.360 nan 0.000 0.452 138 F N 0.187 120.121 119.950 -0.027 0.000 2.664 138 F HA -0.050 4.477 4.527 -0.000 0.000 0.297 138 F C 1.680 177.483 175.800 0.006 0.000 1.164 138 F CA 0.788 58.783 58.000 -0.007 0.000 1.472 138 F CB -0.514 38.486 39.000 -0.000 0.000 1.108 138 F HN 0.036 nan 8.300 nan 0.000 0.596 139 M N -1.143 118.553 119.600 0.160 0.000 2.419 139 M HA 0.118 4.598 4.480 -0.000 0.000 0.252 139 M C 0.592 176.933 176.300 0.069 0.000 1.143 139 M CA 0.085 55.448 55.300 0.104 0.000 0.985 139 M CB 0.249 32.880 32.600 0.051 0.000 1.489 139 M HN -0.206 nan 8.290 nan 0.000 0.484 140 R N 0.354 120.896 120.500 0.071 0.000 2.615 140 R HA 0.027 4.367 4.340 -0.000 0.000 0.270 140 R C 1.480 177.811 176.300 0.051 0.000 1.081 140 R CA 0.010 56.139 56.100 0.048 0.000 1.154 140 R CB 0.674 31.000 30.300 0.043 0.000 1.063 140 R HN 0.033 nan 8.270 nan 0.000 0.519 141 E N 1.732 121.954 120.200 0.037 0.000 2.055 141 E HA -0.294 4.056 4.350 -0.000 0.000 0.209 141 E C 1.286 177.905 176.600 0.031 0.000 1.036 141 E CA 2.459 58.879 56.400 0.033 0.000 0.849 141 E CB -0.526 29.186 29.700 0.021 0.000 0.767 141 E HN 0.844 nan 8.360 nan 0.000 0.461 142 N N 0.477 119.194 118.700 0.028 0.000 2.453 142 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 142 N C 0.798 176.322 175.510 0.023 0.000 1.041 142 N CA 0.678 53.742 53.050 0.023 0.000 0.900 142 N CB -0.412 38.087 38.487 0.021 0.000 0.961 142 N HN 0.289 nan 8.380 nan 0.000 0.443 143 Q N 1.028 120.849 119.800 0.034 0.000 2.395 143 Q HA 0.209 4.549 4.340 -0.000 0.000 0.271 143 Q C -2.112 173.891 176.000 0.005 0.000 1.026 143 Q CA -1.226 54.590 55.803 0.022 0.000 0.900 143 Q CB -0.238 28.535 28.738 0.057 0.000 1.266 143 Q HN 0.245 nan 8.270 nan 0.000 0.430 144 P HA -0.056 nan 4.420 nan 0.000 0.266 144 P C 0.519 177.815 177.300 -0.006 0.000 1.195 144 P CA 0.155 63.242 63.100 -0.022 0.000 0.768 144 P CB 0.513 32.183 31.700 -0.051 0.000 0.838 145 E N 2.560 122.766 120.200 0.010 0.000 2.118 145 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 145 E C 1.587 178.206 176.600 0.031 0.000 0.992 145 E CA 1.283 57.699 56.400 0.027 0.000 0.804 145 E CB -0.219 29.499 29.700 0.029 0.000 0.741 145 E HN 0.289 nan 8.360 nan 0.000 0.458 146 M N 0.146 119.755 119.600 0.014 0.000 2.117 146 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 146 M C 1.968 178.277 176.300 0.016 0.000 1.065 146 M CA 1.098 56.410 55.300 0.020 0.000 1.114 146 M CB -0.195 32.407 32.600 0.002 0.000 1.361 146 M HN 0.289 nan 8.290 nan 0.000 0.408 147 L N -0.156 121.047 121.223 -0.033 0.000 2.201 147 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 147 L C 2.112 179.000 176.870 0.031 0.000 1.105 147 L CA 1.789 56.578 54.840 -0.085 0.000 0.775 147 L CB -0.554 41.355 42.059 -0.250 0.000 0.913 147 L HN 0.442 nan 8.230 nan 0.000 0.440 148 Q N -1.379 118.460 119.800 0.065 0.000 2.049 148 Q HA -0.187 4.153 4.340 -0.000 0.000 0.198 148 Q C 2.144 178.235 176.000 0.152 0.000 0.971 148 Q CA 1.536 57.413 55.803 0.124 0.000 0.833 148 Q CB -0.350 28.450 28.738 0.103 0.000 0.896 148 Q HN 0.434 nan 8.270 nan 0.000 0.434 149 L N 1.441 122.743 121.223 0.131 0.000 1.989 149 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 149 L C 2.095 179.102 176.870 0.228 0.000 1.071 149 L CA 1.905 56.840 54.840 0.159 0.000 0.749 149 L CB -0.482 41.659 42.059 0.137 0.000 0.890 149 L HN 0.122 nan 8.230 nan 0.000 0.431 150 E N 0.119 120.438 120.200 0.197 0.000 2.038 150 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 150 E C 2.194 178.916 176.600 0.202 0.000 1.000 150 E CA 1.548 58.062 56.400 0.190 0.000 0.803 150 E CB -0.792 28.963 29.700 0.091 0.000 0.750 150 E HN 0.645 nan 8.360 nan 0.000 0.448 151 A N 1.695 124.639 122.820 0.207 0.000 1.873 151 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 151 A C 2.487 180.210 177.584 0.232 0.000 1.193 151 A CA 2.757 54.929 52.037 0.224 0.000 0.629 151 A CB -0.901 18.270 19.000 0.285 0.000 0.826 151 A HN 0.299 nan 8.150 nan 0.000 0.447 152 A N -1.624 121.360 122.820 0.274 0.000 1.948 152 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 152 A C 2.009 179.761 177.584 0.279 0.000 1.177 152 A CA 1.765 54.008 52.037 0.343 0.000 0.636 152 A CB -0.855 18.336 19.000 0.318 0.000 0.815 152 A HN 0.865 nan 8.150 nan 0.000 0.449 153 W N 0.714 122.028 121.300 0.024 0.000 2.353 153 W HA -0.171 4.489 4.660 -0.000 0.000 0.319 153 W C 2.543 179.027 176.519 -0.058 0.000 1.207 153 W CA 1.930 59.233 57.345 -0.070 0.000 1.291 153 W CB -1.010 28.413 29.460 -0.062 0.000 1.159 153 W HN 0.410 nan 8.180 nan 0.000 0.478 154 A N 0.675 123.631 122.820 0.227 0.000 1.892 154 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 154 A C 2.355 180.016 177.584 0.128 0.000 1.188 154 A CA 2.170 54.265 52.037 0.096 0.000 0.631 154 A CB -1.250 17.780 19.000 0.051 0.000 0.822 154 A HN 0.360 nan 8.150 nan 0.000 0.447 155 L N -0.054 121.266 121.223 0.161 0.000 2.131 155 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 155 L C 3.037 180.023 176.870 0.193 0.000 1.092 155 L CA 1.799 56.751 54.840 0.187 0.000 0.759 155 L CB -0.836 41.391 42.059 0.280 0.000 0.903 155 L HN 0.728 nan 8.230 nan 0.000 0.435 156 T N -3.489 111.145 114.554 0.134 0.000 2.777 156 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 156 T C 1.700 176.420 174.700 0.033 0.000 1.040 156 T CA 1.307 63.415 62.100 0.014 0.000 1.141 156 T CB -0.344 68.399 68.868 -0.207 0.000 0.868 156 T HN 0.219 nan 8.240 nan 0.000 0.444 157 N N 1.416 120.145 118.700 0.048 0.000 2.270 157 N HA 0.148 4.888 4.740 -0.000 0.000 0.181 157 N C 1.888 177.449 175.510 0.086 0.000 1.016 157 N CA 0.811 53.898 53.050 0.062 0.000 0.870 157 N CB -0.377 38.159 38.487 0.081 0.000 0.979 157 N HN 0.489 nan 8.380 nan 0.000 0.431 158 I N 0.694 121.319 120.570 0.092 0.000 2.394 158 I HA -0.138 4.032 4.170 -0.000 0.000 0.251 158 I C 1.715 177.895 176.117 0.105 0.000 1.136 158 I CA 0.634 61.986 61.300 0.087 0.000 1.425 158 I CB -0.180 37.864 38.000 0.074 0.000 1.079 158 I HN 0.033 nan 8.210 nan 0.000 0.425 159 A N 0.240 123.136 122.820 0.127 0.000 2.259 159 A HA -0.010 4.310 4.320 -0.000 0.000 0.208 159 A C 1.948 179.631 177.584 0.165 0.000 1.201 159 A CA 0.913 53.041 52.037 0.152 0.000 0.824 159 A CB -0.454 18.653 19.000 0.178 0.000 0.838 159 A HN 0.471 nan 8.150 nan 0.000 0.485 160 S N -1.579 114.211 115.700 0.150 0.000 2.557 160 S HA 0.399 4.869 4.470 -0.000 0.000 0.223 160 S C 1.093 175.771 174.600 0.130 0.000 0.969 160 S CA 0.201 58.502 58.200 0.167 0.000 0.927 160 S CB 0.006 63.309 63.200 0.172 0.000 0.806 160 S HN 0.488 nan 8.310 nan 0.000 0.489 161 G N 2.075 110.943 108.800 0.113 0.000 2.928 161 G HA2 0.454 4.414 3.960 -0.000 0.000 0.163 161 G HA3 0.454 4.414 3.960 -0.000 0.000 0.163 161 G C 0.289 175.241 174.900 0.086 0.000 1.573 161 G CA 0.159 45.313 45.100 0.090 0.000 1.084 161 G HN 0.524 nan 8.290 nan 0.000 0.569 162 T N -2.487 112.111 114.554 0.072 0.000 2.788 162 T HA 0.346 4.696 4.350 -0.000 0.000 0.280 162 T C 1.444 176.188 174.700 0.074 0.000 0.984 162 T CA 0.405 62.542 62.100 0.062 0.000 0.972 162 T CB 1.252 70.147 68.868 0.045 0.000 1.039 162 T HN 0.164 nan 8.240 nan 0.000 0.530 163 S N 0.377 116.110 115.700 0.055 0.000 2.399 163 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 163 S C 2.415 177.062 174.600 0.078 0.000 1.022 163 S CA 0.924 59.158 58.200 0.057 0.000 0.983 163 S CB -0.934 62.261 63.200 -0.009 0.000 0.803 163 S HN 0.851 nan 8.310 nan 0.000 0.480 164 A N 1.514 124.367 122.820 0.056 0.000 1.898 164 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 164 A C 2.093 179.719 177.584 0.071 0.000 1.181 164 A CA 1.239 53.309 52.037 0.055 0.000 0.620 164 A CB -0.537 18.485 19.000 0.036 0.000 0.819 164 A HN 0.554 nan 8.150 nan 0.000 0.442 165 Q N -0.961 118.883 119.800 0.073 0.000 2.172 165 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 165 Q C 1.928 177.988 176.000 0.099 0.000 0.964 165 Q CA 1.661 57.509 55.803 0.075 0.000 0.855 165 Q CB -0.320 28.460 28.738 0.071 0.000 0.918 165 Q HN 0.629 nan 8.270 nan 0.000 0.444 166 T N 1.121 115.757 114.554 0.136 0.000 2.951 166 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 166 T C 1.649 176.459 174.700 0.184 0.000 1.073 166 T CA 0.956 63.163 62.100 0.179 0.000 1.134 166 T CB 0.001 69.020 68.868 0.250 0.000 0.884 166 T HN 0.235 nan 8.240 nan 0.000 0.479 167 K N 1.191 121.711 120.400 0.200 0.000 2.148 167 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 167 K C 2.071 178.716 176.600 0.074 0.000 1.050 167 K CA 0.787 57.184 56.287 0.183 0.000 0.942 167 K CB -0.181 32.425 32.500 0.177 0.000 0.724 167 K HN 0.136 nan 8.250 nan 0.000 0.446 168 V N 0.909 120.859 119.914 0.059 0.000 2.343 168 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 168 V C 2.312 178.409 176.094 0.005 0.000 1.051 168 V CA 1.559 63.873 62.300 0.024 0.000 1.036 168 V CB -0.200 31.636 31.823 0.021 0.000 0.654 168 V HN 0.166 nan 8.190 nan 0.000 0.451 169 V N -0.477 119.452 119.914 0.025 0.000 2.358 169 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 169 V C 2.377 178.460 176.094 -0.018 0.000 1.047 169 V CA 1.633 63.943 62.300 0.017 0.000 1.035 169 V CB -0.230 31.645 31.823 0.087 0.000 0.658 169 V HN 0.412 nan 8.190 nan 0.000 0.452 170 V N 0.019 119.909 119.914 -0.039 0.000 2.427 170 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 170 V C 2.086 178.124 176.094 -0.094 0.000 1.051 170 V CA 1.854 64.088 62.300 -0.110 0.000 1.048 170 V CB -0.609 30.990 31.823 -0.374 0.000 0.666 170 V HN 0.551 nan 8.190 nan 0.000 0.456 171 D N 0.529 120.889 120.400 -0.068 0.000 2.348 171 D HA 0.002 4.641 4.640 -0.000 0.000 0.216 171 D C 1.834 178.100 176.300 -0.057 0.000 0.970 171 D CA 1.200 55.165 54.000 -0.059 0.000 0.889 171 D CB 0.103 40.884 40.800 -0.032 0.000 0.912 171 D HN 0.479 nan 8.370 nan 0.000 0.524 172 A N 0.397 123.180 122.820 -0.062 0.000 2.307 172 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 172 A C 0.265 177.796 177.584 -0.087 0.000 1.228 172 A CA 0.005 51.996 52.037 -0.076 0.000 0.857 172 A CB 0.219 19.166 19.000 -0.089 0.000 0.897 172 A HN -0.043 nan 8.150 nan 0.000 0.495 173 D N -2.210 118.148 120.400 -0.069 0.000 2.907 173 D HA -0.211 4.429 4.640 -0.000 0.000 0.226 173 D C 1.042 177.266 176.300 -0.126 0.000 1.141 173 D CA 0.879 54.846 54.000 -0.055 0.000 0.779 173 D CB -1.406 39.366 40.800 -0.047 0.000 1.095 173 D HN 0.592 nan 8.370 nan 0.000 0.430 174 A N -0.289 122.411 122.820 -0.199 0.000 1.968 174 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 174 A C 2.400 179.657 177.584 -0.544 0.000 1.169 174 A CA 1.360 53.117 52.037 -0.467 0.000 0.638 174 A CB -0.070 18.595 19.000 -0.558 0.000 0.812 174 A HN 0.242 nan 8.150 nan 0.000 0.446 175 V N 1.442 121.245 119.914 -0.184 0.000 2.252 175 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 175 V C 0.096 176.148 176.094 -0.070 0.000 1.056 175 V CA 2.580 64.854 62.300 -0.044 0.000 1.022 175 V CB -1.638 30.143 31.823 -0.070 0.000 0.641 175 V HN 0.485 nan 8.190 nan 0.000 0.445 176 P HA -0.160 nan 4.420 nan 0.000 0.218 176 P C 1.860 179.145 177.300 -0.025 0.000 1.148 176 P CA 1.570 64.643 63.100 -0.046 0.000 0.822 176 P CB -0.005 31.680 31.700 -0.026 0.000 0.784 177 L N -2.209 118.957 121.223 -0.094 0.000 2.072 177 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 177 L C 2.732 179.620 176.870 0.031 0.000 1.079 177 L CA 1.095 55.891 54.840 -0.072 0.000 0.752 177 L CB -0.962 41.000 42.059 -0.161 0.000 0.906 177 L HN -0.158 nan 8.230 nan 0.000 0.436 178 F N 0.451 120.411 119.950 0.016 0.000 2.126 178 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 178 F C 2.416 178.222 175.800 0.010 0.000 1.096 178 F CA 1.154 59.164 58.000 0.017 0.000 1.255 178 F CB -0.754 38.250 39.000 0.006 0.000 0.997 178 F HN -0.019 nan 8.300 nan 0.000 0.479 179 I N 0.008 120.697 120.570 0.198 0.000 2.315 179 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 179 I C 2.450 178.663 176.117 0.160 0.000 1.117 179 I CA 1.418 62.787 61.300 0.114 0.000 1.404 179 I CB -0.660 37.385 38.000 0.074 0.000 1.071 179 I HN 0.261 nan 8.210 nan 0.000 0.419 180 Q N 0.966 120.872 119.800 0.177 0.000 2.297 180 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 180 Q C 2.061 178.184 176.000 0.206 0.000 0.962 180 Q CA 1.077 57.019 55.803 0.232 0.000 0.879 180 Q CB -0.270 28.546 28.738 0.130 0.000 0.947 180 Q HN 0.500 nan 8.270 nan 0.000 0.462 181 L N 0.458 121.776 121.223 0.159 0.000 2.291 181 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 181 L C 2.156 179.082 176.870 0.093 0.000 1.120 181 L CA 0.483 55.403 54.840 0.134 0.000 0.799 181 L CB -0.188 41.965 42.059 0.158 0.000 0.925 181 L HN 0.296 nan 8.230 nan 0.000 0.446 182 L N -1.843 119.408 121.223 0.047 0.000 2.201 182 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 182 L C 2.285 179.102 176.870 -0.088 0.000 1.105 182 L CA 1.204 56.004 54.840 -0.067 0.000 0.775 182 L CB -0.438 41.518 42.059 -0.173 0.000 0.913 182 L HN 0.199 nan 8.230 nan 0.000 0.440 183 Y N 0.023 120.336 120.300 0.023 0.000 2.163 183 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 183 Y C 3.135 179.045 175.900 0.017 0.000 1.112 183 Y CA 1.756 59.866 58.100 0.017 0.000 1.104 183 Y CB -0.891 37.578 38.460 0.016 0.000 1.016 183 Y HN 0.173 nan 8.280 nan 0.000 0.497 184 T N -1.731 112.950 114.554 0.211 0.000 2.857 184 T HA 0.091 4.441 4.350 -0.000 0.000 0.266 184 T C 1.423 176.173 174.700 0.082 0.000 1.048 184 T CA 0.563 62.735 62.100 0.118 0.000 1.139 184 T CB -1.155 67.768 68.868 0.092 0.000 0.874 184 T HN 0.242 nan 8.240 nan 0.000 0.455 185 G N 1.820 110.668 108.800 0.080 0.000 2.664 185 G HA2 0.391 4.351 3.960 -0.000 0.000 0.242 185 G HA3 0.391 4.351 3.960 -0.000 0.000 0.242 185 G C 0.376 175.301 174.900 0.042 0.000 1.225 185 G CA -0.034 45.102 45.100 0.060 0.000 0.849 185 G HN 0.766 nan 8.290 nan 0.000 0.581 186 S N -0.752 114.969 115.700 0.035 0.000 2.632 186 S HA 0.073 4.543 4.470 -0.000 0.000 0.254 186 S C 1.559 176.167 174.600 0.013 0.000 1.291 186 S CA 0.063 58.277 58.200 0.023 0.000 0.974 186 S CB 0.717 63.931 63.200 0.023 0.000 1.016 186 S HN 0.411 nan 8.310 nan 0.000 0.579 187 V N 1.396 121.312 119.914 0.004 0.000 2.488 187 V HA -0.080 4.040 4.120 -0.000 0.000 0.246 187 V C 2.676 178.764 176.094 -0.010 0.000 1.046 187 V CA 1.936 64.230 62.300 -0.010 0.000 1.053 187 V CB -1.316 30.498 31.823 -0.015 0.000 0.679 187 V HN 0.820 nan 8.190 nan 0.000 0.458 188 E N 0.155 120.354 120.200 -0.001 0.000 2.051 188 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 188 E C 2.290 178.890 176.600 0.000 0.000 0.991 188 E CA 1.506 57.903 56.400 -0.005 0.000 0.799 188 E CB -0.295 29.411 29.700 0.010 0.000 0.748 188 E HN 0.425 nan 8.360 nan 0.000 0.449 189 V N 1.863 121.790 119.914 0.021 0.000 2.287 189 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 189 V C 2.165 178.275 176.094 0.028 0.000 1.053 189 V CA 1.934 64.258 62.300 0.040 0.000 1.027 189 V CB -0.450 31.407 31.823 0.056 0.000 0.646 189 V HN 0.215 nan 8.190 nan 0.000 0.447 190 K N -0.554 119.853 120.400 0.011 0.000 2.032 190 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 190 K C 2.264 178.854 176.600 -0.018 0.000 1.048 190 K CA 1.501 57.783 56.287 -0.010 0.000 0.927 190 K CB -0.298 32.181 32.500 -0.035 0.000 0.712 190 K HN 0.364 nan 8.250 nan 0.000 0.441 191 E N 0.957 121.146 120.200 -0.017 0.000 2.086 191 E HA -0.239 4.111 4.350 -0.000 0.000 0.200 191 E C 2.154 178.778 176.600 0.041 0.000 1.012 191 E CA 1.475 57.875 56.400 -0.000 0.000 0.812 191 E CB 0.043 29.735 29.700 -0.014 0.000 0.743 191 E HN 0.270 nan 8.360 nan 0.000 0.453 192 Q N -0.401 119.393 119.800 -0.009 0.000 2.084 192 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 192 Q C 2.088 178.053 176.000 -0.057 0.000 0.978 192 Q CA 1.336 57.111 55.803 -0.047 0.000 0.844 192 Q CB -0.523 28.183 28.738 -0.053 0.000 0.898 192 Q HN 0.281 nan 8.270 nan 0.000 0.426 193 A N 0.700 123.487 122.820 -0.055 0.000 1.877 193 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 193 A C 2.095 179.571 177.584 -0.179 0.000 1.186 193 A CA 1.419 53.367 52.037 -0.149 0.000 0.620 193 A CB -0.629 18.384 19.000 0.022 0.000 0.822 193 A HN 0.333 nan 8.150 nan 0.000 0.443 194 I N -1.523 119.012 120.570 -0.059 0.000 2.493 194 I HA -0.158 4.012 4.170 -0.000 0.000 0.254 194 I C 2.073 178.212 176.117 0.037 0.000 1.160 194 I CA 0.708 61.981 61.300 -0.045 0.000 1.445 194 I CB -0.304 37.664 38.000 -0.053 0.000 1.086 194 I HN 0.635 nan 8.210 nan 0.000 0.433 195 W N 1.401 122.644 121.300 -0.095 0.000 2.379 195 W HA -0.128 4.532 4.660 -0.000 0.000 0.307 195 W C 2.407 178.900 176.519 -0.043 0.000 1.200 195 W CA 2.126 59.488 57.345 0.028 0.000 1.297 195 W CB -1.009 28.424 29.460 -0.045 0.000 1.140 195 W HN 0.248 nan 8.180 nan 0.000 0.507 196 A N 0.965 123.812 122.820 0.044 0.000 1.865 196 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 196 A C 2.295 179.774 177.584 -0.175 0.000 1.191 196 A CA 2.208 54.093 52.037 -0.254 0.000 0.623 196 A CB -1.284 17.020 19.000 -1.160 0.000 0.826 196 A HN 0.321 nan 8.150 nan 0.000 0.444 197 L N -0.597 120.472 121.223 -0.257 0.000 2.129 197 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 197 L C 2.783 179.591 176.870 -0.104 0.000 1.087 197 L CA 1.028 55.800 54.840 -0.113 0.000 0.757 197 L CB -0.826 41.174 42.059 -0.099 0.000 0.896 197 L HN 0.533 nan 8.230 nan 0.000 0.434 198 G N -0.165 108.554 108.800 -0.136 0.000 2.421 198 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.216 198 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.216 198 G C 1.417 176.162 174.900 -0.258 0.000 1.171 198 G CA 0.727 45.556 45.100 -0.452 0.000 0.775 198 G HN 0.328 nan 8.290 nan 0.000 0.543 199 N N 0.354 119.126 118.700 0.120 0.000 2.142 199 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 199 N C 2.365 177.964 175.510 0.147 0.000 1.023 199 N CA 1.129 54.312 53.050 0.220 0.000 0.852 199 N CB -0.433 38.239 38.487 0.309 0.000 0.998 199 N HN 0.201 nan 8.380 nan 0.000 0.424 200 V N 1.741 121.730 119.914 0.123 0.000 2.270 200 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 200 V C 2.367 178.567 176.094 0.177 0.000 1.043 200 V CA 1.803 64.202 62.300 0.165 0.000 1.014 200 V CB -0.955 30.935 31.823 0.112 0.000 0.645 200 V HN 0.282 nan 8.190 nan 0.000 0.447 201 A N 0.189 123.044 122.820 0.058 0.000 2.125 201 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 201 A C 2.158 179.738 177.584 -0.007 0.000 1.156 201 A CA 1.568 53.620 52.037 0.025 0.000 0.671 201 A CB -0.729 18.227 19.000 -0.074 0.000 0.794 201 A HN 0.576 nan 8.150 nan 0.000 0.459 202 G N -1.081 107.710 108.800 -0.015 0.000 2.939 202 G HA2 0.056 4.016 3.960 -0.000 0.000 0.210 202 G HA3 0.056 4.016 3.960 -0.000 0.000 0.210 202 G C 0.992 175.915 174.900 0.038 0.000 1.160 202 G CA 0.904 45.992 45.100 -0.020 0.000 0.770 202 G HN 0.553 nan 8.290 nan 0.000 0.543 203 D N 0.551 121.010 120.400 0.098 0.000 2.085 203 D HA 0.009 4.649 4.640 -0.000 0.000 0.199 203 D C 1.464 177.743 176.300 -0.035 0.000 0.981 203 D CA 1.461 55.506 54.000 0.075 0.000 0.834 203 D CB 0.280 41.194 40.800 0.190 0.000 0.992 203 D HN 0.347 nan 8.370 nan 0.000 0.457 204 S N -2.805 112.856 115.700 -0.064 0.000 2.596 204 S HA 0.290 4.760 4.470 -0.000 0.000 0.270 204 S C 0.828 175.393 174.600 -0.058 0.000 1.155 204 S CA -0.117 58.005 58.200 -0.130 0.000 0.827 204 S CB 1.028 64.042 63.200 -0.309 0.000 1.130 204 S HN 0.165 nan 8.310 nan 0.000 0.467 205 T N -1.644 112.874 114.554 -0.061 0.000 2.929 205 T HA -0.091 4.259 4.350 -0.000 0.000 0.271 205 T C 0.827 175.537 174.700 0.018 0.000 1.085 205 T CA 1.558 63.644 62.100 -0.023 0.000 1.125 205 T CB -0.700 68.148 68.868 -0.032 0.000 0.874 205 T HN 0.601 nan 8.240 nan 0.000 0.494 206 D N 0.559 120.954 120.400 -0.009 0.000 2.091 206 D HA -0.056 4.584 4.640 -0.000 0.000 0.199 206 D C 1.908 178.364 176.300 0.260 0.000 0.980 206 D CA 1.133 55.170 54.000 0.062 0.000 0.831 206 D CB -0.282 40.495 40.800 -0.037 0.000 0.987 206 D HN 0.355 nan 8.370 nan 0.000 0.460 207 Y N 1.573 121.923 120.300 0.082 0.000 2.224 207 Y HA -0.087 4.463 4.550 -0.000 0.000 0.289 207 Y C 2.472 178.444 175.900 0.120 0.000 1.146 207 Y CA 0.367 58.559 58.100 0.152 0.000 1.182 207 Y CB -0.799 37.733 38.460 0.119 0.000 0.983 207 Y HN -0.039 nan 8.280 nan 0.000 0.524 208 R N 0.644 121.272 120.500 0.213 0.000 2.080 208 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 208 R C 1.526 177.883 176.300 0.095 0.000 1.137 208 R CA 2.097 58.255 56.100 0.097 0.000 0.943 208 R CB -0.243 30.076 30.300 0.033 0.000 0.846 208 R HN 0.243 nan 8.270 nan 0.000 0.431 209 D N -0.440 120.031 120.400 0.119 0.000 2.144 209 D HA -0.184 4.456 4.640 -0.000 0.000 0.200 209 D C 1.680 178.075 176.300 0.158 0.000 0.978 209 D CA 0.944 55.011 54.000 0.112 0.000 0.833 209 D CB -0.421 40.441 40.800 0.103 0.000 0.961 209 D HN 0.294 nan 8.370 nan 0.000 0.470 210 Y N 2.183 122.530 120.300 0.078 0.000 2.145 210 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 210 Y C 2.195 178.115 175.900 0.033 0.000 1.145 210 Y CA 0.867 59.002 58.100 0.059 0.000 1.148 210 Y CB -0.603 37.901 38.460 0.073 0.000 0.981 210 Y HN -0.220 nan 8.280 nan 0.000 0.507 211 V N 0.584 120.421 119.914 -0.127 0.000 2.343 211 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 211 V C 2.606 178.617 176.094 -0.139 0.000 1.051 211 V CA 2.042 64.207 62.300 -0.226 0.000 1.036 211 V CB -0.837 30.927 31.823 -0.098 0.000 0.654 211 V HN 0.436 nan 8.190 nan 0.000 0.451 212 L N -0.808 120.381 121.223 -0.055 0.000 2.093 212 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 212 L C 2.535 179.387 176.870 -0.030 0.000 1.085 212 L CA 1.291 56.109 54.840 -0.035 0.000 0.755 212 L CB -0.469 41.585 42.059 -0.009 0.000 0.904 212 L HN 0.297 nan 8.230 nan 0.000 0.435 213 Q N -1.153 118.641 119.800 -0.011 0.000 2.436 213 Q HA -0.072 4.268 4.340 -0.000 0.000 0.209 213 Q C 1.863 177.849 176.000 -0.023 0.000 0.965 213 Q CA 0.755 56.566 55.803 0.012 0.000 0.910 213 Q CB -0.289 28.496 28.738 0.078 0.000 0.980 213 Q HN 0.443 nan 8.270 nan 0.000 0.491 214 C N -0.183 119.051 119.300 -0.110 0.000 2.673 214 C HA 0.109 4.569 4.460 -0.000 0.000 0.274 214 C C 0.810 175.768 174.990 -0.053 0.000 1.276 214 C CA 0.383 59.329 59.018 -0.120 0.000 1.701 214 C CB -1.836 25.743 27.740 -0.269 0.000 1.836 214 C HN 0.668 nan 8.230 nan 0.000 0.596 215 N N -0.397 118.282 118.700 -0.034 0.000 2.758 215 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 215 N C 0.487 175.996 175.510 -0.001 0.000 1.076 215 N CA 0.888 53.936 53.050 -0.004 0.000 0.696 215 N CB -1.358 37.145 38.487 0.025 0.000 0.979 215 N HN 0.758 nan 8.380 nan 0.000 0.550 216 A N -0.763 122.036 122.820 -0.034 0.000 2.119 216 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 216 A C 2.061 179.615 177.584 -0.049 0.000 1.152 216 A CA 1.606 53.617 52.037 -0.044 0.000 0.708 216 A CB -0.319 18.645 19.000 -0.061 0.000 0.805 216 A HN 0.780 nan 8.150 nan 0.000 0.460 217 M N 0.714 120.292 119.600 -0.037 0.000 2.159 217 M HA -0.081 4.398 4.480 -0.000 0.000 0.263 217 M C 1.996 178.280 176.300 -0.027 0.000 1.063 217 M CA 2.259 57.539 55.300 -0.034 0.000 1.110 217 M CB -0.851 31.724 32.600 -0.042 0.000 1.374 217 M HN 0.531 nan 8.290 nan 0.000 0.411 218 E N 1.225 121.416 120.200 -0.015 0.000 2.005 218 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 218 E C -0.112 176.452 176.600 -0.060 0.000 1.010 218 E CA 1.944 58.347 56.400 0.004 0.000 0.825 218 E CB -3.020 26.727 29.700 0.079 0.000 0.769 218 E HN 0.632 nan 8.360 nan 0.000 0.456 219 P HA -0.081 nan 4.420 nan 0.000 0.217 219 P C 1.719 178.890 177.300 -0.216 0.000 1.150 219 P CA 1.426 64.257 63.100 -0.447 0.000 0.832 219 P CB -0.146 30.982 31.700 -0.953 0.000 0.787 220 I N -0.285 120.213 120.570 -0.119 0.000 2.163 220 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 220 I C 2.658 178.857 176.117 0.135 0.000 1.085 220 I CA 1.344 62.634 61.300 -0.017 0.000 1.347 220 I CB -0.705 37.310 38.000 0.026 0.000 1.044 220 I HN -0.136 nan 8.210 nan 0.000 0.408 221 L N 0.380 121.680 121.223 0.128 0.000 2.191 221 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 221 L C 2.519 179.525 176.870 0.228 0.000 1.103 221 L CA 1.260 56.227 54.840 0.212 0.000 0.769 221 L CB -0.902 41.188 42.059 0.052 0.000 0.908 221 L HN 0.346 nan 8.230 nan 0.000 0.438 222 G N -0.308 108.541 108.800 0.082 0.000 2.484 222 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 222 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 222 G C 1.586 176.489 174.900 0.004 0.000 1.130 222 G CA 0.052 45.175 45.100 0.038 0.000 0.784 222 G HN 0.245 nan 8.290 nan 0.000 0.543 223 L N -0.531 120.651 121.223 -0.068 0.000 2.191 223 L HA 0.009 4.349 4.340 -0.000 0.000 0.212 223 L C 2.267 178.967 176.870 -0.283 0.000 1.103 223 L CA 0.621 55.329 54.840 -0.221 0.000 0.769 223 L CB -0.402 41.433 42.059 -0.373 0.000 0.908 223 L HN 0.136 nan 8.230 nan 0.000 0.438 224 F N 0.152 120.085 119.950 -0.030 0.000 2.699 224 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 224 F C 2.464 178.256 175.800 -0.013 0.000 1.154 224 F CA 0.982 58.971 58.000 -0.018 0.000 1.457 224 F CB -1.173 37.816 39.000 -0.018 0.000 1.106 224 F HN 0.237 nan 8.300 nan 0.000 0.585 225 N N 0.084 118.842 118.700 0.097 0.000 2.449 225 N HA 0.103 4.843 4.740 -0.000 0.000 0.191 225 N C 0.826 176.351 175.510 0.024 0.000 1.161 225 N CA 0.532 53.619 53.050 0.062 0.000 0.863 225 N CB -0.532 37.984 38.487 0.048 0.000 0.980 225 N HN 0.282 nan 8.380 nan 0.000 0.458 226 S N -2.990 112.708 115.700 -0.003 0.000 2.713 226 S HA 0.537 5.007 4.470 -0.000 0.000 0.283 226 S C 1.189 175.785 174.600 -0.008 0.000 1.161 226 S CA 0.169 58.358 58.200 -0.018 0.000 0.999 226 S CB 0.911 64.081 63.200 -0.050 0.000 1.039 226 S HN 0.562 nan 8.310 nan 0.000 0.548 227 N N -0.319 118.376 118.700 -0.008 0.000 2.388 227 N HA 0.145 4.885 4.740 -0.000 0.000 0.176 227 N C 0.612 176.117 175.510 -0.008 0.000 1.062 227 N CA 0.195 53.244 53.050 -0.001 0.000 0.895 227 N CB -0.332 38.156 38.487 0.002 0.000 1.018 227 N HN 0.752 nan 8.380 nan 0.000 0.456 228 K N 2.208 122.595 120.400 -0.021 0.000 2.382 228 K HA 0.074 4.393 4.320 -0.000 0.000 0.286 228 K C -1.469 175.111 176.600 -0.033 0.000 1.062 228 K CA -1.259 55.012 56.287 -0.026 0.000 1.000 228 K CB 1.032 33.513 32.500 -0.031 0.000 0.954 228 K HN 0.161 nan 8.250 nan 0.000 0.470 229 P HA -0.254 nan 4.420 nan 0.000 0.215 229 P C 1.100 178.381 177.300 -0.033 0.000 1.153 229 P CA 1.566 64.656 63.100 -0.016 0.000 0.853 229 P CB 0.108 31.806 31.700 -0.004 0.000 0.788 230 S N 0.520 116.198 115.700 -0.037 0.000 2.353 230 S HA -0.194 4.276 4.470 -0.000 0.000 0.222 230 S C 2.131 176.690 174.600 -0.068 0.000 1.035 230 S CA 1.470 59.642 58.200 -0.048 0.000 1.025 230 S CB -1.817 61.361 63.200 -0.036 0.000 0.902 230 S HN 0.049 nan 8.310 nan 0.000 0.440 231 L N 1.654 122.832 121.223 -0.074 0.000 2.042 231 L HA 0.115 4.455 4.340 -0.000 0.000 0.210 231 L C 2.272 179.040 176.870 -0.169 0.000 1.076 231 L CA 1.579 56.355 54.840 -0.107 0.000 0.749 231 L CB -0.686 41.307 42.059 -0.111 0.000 0.893 231 L HN 0.445 nan 8.230 nan 0.000 0.432 232 I N -0.924 119.548 120.570 -0.164 0.000 2.614 232 I HA -0.223 3.947 4.170 -0.000 0.000 0.258 232 I C 2.642 178.713 176.117 -0.076 0.000 1.189 232 I CA 0.882 62.059 61.300 -0.205 0.000 1.462 232 I CB -0.325 37.624 38.000 -0.084 0.000 1.092 232 I HN 0.327 nan 8.210 nan 0.000 0.442 233 R N 0.428 120.898 120.500 -0.050 0.000 2.093 233 R HA -0.098 4.242 4.340 -0.000 0.000 0.224 233 R C 2.150 178.443 176.300 -0.012 0.000 1.101 233 R CA 1.581 57.672 56.100 -0.015 0.000 0.979 233 R CB -0.051 30.221 30.300 -0.047 0.000 0.877 233 R HN 0.204 nan 8.270 nan 0.000 0.441 234 T N 0.410 114.924 114.554 -0.066 0.000 2.857 234 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 234 T C 1.745 176.475 174.700 0.049 0.000 1.048 234 T CA 1.077 63.154 62.100 -0.038 0.000 1.139 234 T CB -0.080 68.722 68.868 -0.110 0.000 0.874 234 T HN 0.374 nan 8.240 nan 0.000 0.455 235 A N 1.324 124.108 122.820 -0.060 0.000 1.969 235 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 235 A C 2.488 180.175 177.584 0.171 0.000 1.169 235 A CA 1.748 53.738 52.037 -0.079 0.000 0.635 235 A CB -1.036 17.664 19.000 -0.499 0.000 0.810 235 A HN 0.452 nan 8.150 nan 0.000 0.445 236 T N -1.572 113.120 114.554 0.230 0.000 2.812 236 T HA -0.157 4.193 4.350 -0.000 0.000 0.264 236 T C 1.483 176.301 174.700 0.198 0.000 1.042 236 T CA 1.366 63.642 62.100 0.293 0.000 1.140 236 T CB -0.326 68.694 68.868 0.252 0.000 0.870 236 T HN 0.780 nan 8.240 nan 0.000 0.445 237 W N 2.290 123.583 121.300 -0.010 0.000 2.333 237 W HA -0.191 4.469 4.660 -0.000 0.000 0.316 237 W C 2.207 178.708 176.519 -0.031 0.000 1.215 237 W CA 1.724 59.039 57.345 -0.051 0.000 1.278 237 W CB -1.100 28.267 29.460 -0.154 0.000 1.154 237 W HN 0.097 nan 8.180 nan 0.000 0.486 238 T N 1.830 116.164 114.554 -0.366 0.000 2.699 238 T HA -0.282 4.068 4.350 -0.000 0.000 0.268 238 T C 1.705 176.228 174.700 -0.295 0.000 1.036 238 T CA 1.875 63.642 62.100 -0.555 0.000 1.147 238 T CB -0.830 67.863 68.868 -0.291 0.000 0.862 238 T HN 0.163 nan 8.240 nan 0.000 0.446 239 L N 0.926 122.092 121.223 -0.095 0.000 2.079 239 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 239 L C 2.602 179.453 176.870 -0.032 0.000 1.081 239 L CA 1.576 56.400 54.840 -0.026 0.000 0.752 239 L CB -0.893 41.199 42.059 0.055 0.000 0.896 239 L HN 0.159 nan 8.230 nan 0.000 0.433 240 S N -0.598 115.081 115.700 -0.036 0.000 2.356 240 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 240 S C 1.862 176.491 174.600 0.047 0.000 1.032 240 S CA 1.471 59.712 58.200 0.069 0.000 1.005 240 S CB -0.322 62.933 63.200 0.091 0.000 0.867 240 S HN 0.610 nan 8.310 nan 0.000 0.449 241 N N 1.477 120.070 118.700 -0.180 0.000 2.166 241 N HA -0.023 4.717 4.740 -0.000 0.000 0.186 241 N C 1.760 177.201 175.510 -0.115 0.000 1.019 241 N CA 1.043 53.978 53.050 -0.191 0.000 0.856 241 N CB -0.622 37.655 38.487 -0.350 0.000 0.993 241 N HN 0.409 nan 8.380 nan 0.000 0.426 242 L N 0.075 121.238 121.223 -0.100 0.000 2.083 242 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 242 L C 2.195 179.057 176.870 -0.014 0.000 1.083 242 L CA 0.834 55.641 54.840 -0.056 0.000 0.752 242 L CB -0.329 41.695 42.059 -0.058 0.000 0.899 242 L HN 0.211 nan 8.230 nan 0.000 0.433 243 C N -1.347 117.977 119.300 0.040 0.000 2.485 243 C HA 0.008 4.468 4.460 -0.000 0.000 0.277 243 C C 1.741 176.771 174.990 0.068 0.000 1.376 243 C CA -0.585 58.499 59.018 0.110 0.000 1.759 243 C CB -0.850 27.014 27.740 0.206 0.000 1.970 243 C HN 0.303 nan 8.230 nan 0.000 0.509 244 R N 1.123 121.568 120.500 -0.092 0.000 2.537 244 R HA 0.433 4.773 4.340 -0.000 0.000 0.280 244 R C -0.065 176.046 176.300 -0.316 0.000 1.058 244 R CA 1.312 57.066 56.100 -0.576 0.000 1.057 244 R CB -0.074 29.810 30.300 -0.694 0.000 0.973 244 R HN 0.524 nan 8.270 nan 0.000 0.438 245 G N 2.905 111.514 108.800 -0.320 0.000 2.873 245 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.507 245 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.507 245 G C -0.537 174.314 174.900 -0.081 0.000 1.440 245 G CA -0.365 44.639 45.100 -0.159 0.000 1.016 245 G HN 0.660 nan 8.290 nan 0.000 0.615 246 K N 0.699 121.063 120.400 -0.061 0.000 2.491 246 K HA 0.449 4.769 4.320 -0.000 0.000 0.211 246 K C 2.102 178.694 176.600 -0.014 0.000 1.210 246 K CA 1.112 57.389 56.287 -0.017 0.000 1.003 246 K CB 0.065 32.562 32.500 -0.005 0.000 1.009 246 K HN 0.809 nan 8.250 nan 0.000 0.577 247 K N 2.052 122.436 120.400 -0.026 0.000 2.822 247 K HA 0.126 4.446 4.320 -0.000 0.000 0.237 247 K C -2.192 174.402 176.600 -0.011 0.000 1.128 247 K CA 0.241 56.516 56.287 -0.020 0.000 1.317 247 K CB -1.730 30.753 32.500 -0.029 0.000 1.759 247 K HN 0.110 nan 8.250 nan 0.000 0.520 248 P HA 0.041 nan 4.420 nan 0.000 0.260 248 P C -0.817 176.488 177.300 0.009 0.000 1.207 248 P CA 0.274 63.376 63.100 0.003 0.000 0.780 248 P CB 0.159 31.861 31.700 0.003 0.000 0.789 249 Q N 4.771 124.586 119.800 0.024 0.000 2.368 249 Q HA 0.229 4.569 4.340 -0.000 0.000 0.237 249 Q C -1.665 174.372 176.000 0.062 0.000 0.987 249 Q CA -1.488 54.341 55.803 0.044 0.000 0.896 249 Q CB 0.077 28.855 28.738 0.067 0.000 1.241 249 Q HN 0.455 nan 8.270 nan 0.000 0.485 250 P HA -0.095 nan 4.420 nan 0.000 0.272 250 P C -0.499 176.865 177.300 0.106 0.000 1.223 250 P CA -0.202 62.940 63.100 0.070 0.000 0.784 250 P CB 0.522 32.254 31.700 0.053 0.000 0.923 251 D N 2.175 122.621 120.400 0.077 0.000 2.455 251 D HA -0.133 4.507 4.640 -0.000 0.000 0.265 251 D C 1.136 177.495 176.300 0.099 0.000 1.284 251 D CA 0.139 54.191 54.000 0.087 0.000 0.944 251 D CB 0.005 40.831 40.800 0.044 0.000 1.121 251 D HN 0.452 nan 8.370 nan 0.000 0.525 252 W N 3.830 125.137 121.300 0.012 0.000 2.374 252 W HA -0.240 4.420 4.660 -0.000 0.000 0.288 252 W C 1.704 178.229 176.519 0.010 0.000 1.218 252 W CA 1.548 58.901 57.345 0.012 0.000 1.245 252 W CB -0.094 29.373 29.460 0.012 0.000 1.126 252 W HN 0.497 nan 8.180 nan 0.000 0.545 253 S N -0.134 115.550 115.700 -0.027 0.000 2.447 253 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 253 S C 1.611 176.105 174.600 -0.178 0.000 1.006 253 S CA 1.375 59.515 58.200 -0.100 0.000 0.957 253 S CB -0.614 62.598 63.200 0.020 0.000 0.773 253 S HN 0.067 nan 8.310 nan 0.000 0.507 254 V N 2.046 121.865 119.914 -0.158 0.000 2.391 254 V HA -0.035 4.085 4.120 -0.000 0.000 0.237 254 V C 2.708 178.672 176.094 -0.217 0.000 1.046 254 V CA 1.090 63.305 62.300 -0.142 0.000 1.053 254 V CB -0.726 31.052 31.823 -0.074 0.000 0.704 254 V HN 0.523 nan 8.190 nan 0.000 0.475 255 V N 0.773 120.546 119.914 -0.234 0.000 2.469 255 V HA -0.226 3.894 4.120 -0.000 0.000 0.251 255 V C 2.551 178.379 176.094 -0.445 0.000 1.064 255 V CA 2.282 64.424 62.300 -0.263 0.000 1.066 255 V CB -1.727 29.995 31.823 -0.168 0.000 0.667 255 V HN 0.647 nan 8.190 nan 0.000 0.461 256 S N 0.333 115.546 115.700 -0.812 0.000 2.419 256 S HA -0.328 4.142 4.470 -0.000 0.000 0.235 256 S C 1.935 176.268 174.600 -0.445 0.000 1.019 256 S CA 1.826 59.444 58.200 -0.971 0.000 0.982 256 S CB -0.830 61.509 63.200 -1.435 0.000 0.789 256 S HN 0.750 nan 8.310 nan 0.000 0.490 257 Q N 0.714 120.318 119.800 -0.327 0.000 2.364 257 Q HA 0.127 4.467 4.340 -0.000 0.000 0.209 257 Q C 2.246 178.145 176.000 -0.168 0.000 0.977 257 Q CA 1.060 56.745 55.803 -0.196 0.000 0.885 257 Q CB -0.400 28.249 28.738 -0.148 0.000 0.941 257 Q HN 0.835 nan 8.270 nan 0.000 0.464 258 A N 0.219 122.925 122.820 -0.191 0.000 2.169 258 A HA 0.005 4.325 4.320 -0.000 0.000 0.212 258 A C 1.844 179.325 177.584 -0.173 0.000 1.153 258 A CA 0.128 52.054 52.037 -0.184 0.000 0.756 258 A CB -0.238 18.655 19.000 -0.179 0.000 0.813 258 A HN 0.263 nan 8.150 nan 0.000 0.471 259 L N -0.264 120.871 121.223 -0.146 0.000 1.997 259 L HA -0.196 4.144 4.340 -0.000 0.000 0.216 259 L C -0.360 176.460 176.870 -0.082 0.000 1.074 259 L CA 1.975 56.757 54.840 -0.096 0.000 0.763 259 L CB -1.603 40.420 42.059 -0.060 0.000 0.890 259 L HN 0.233 nan 8.230 nan 0.000 0.434 260 P HA -0.146 nan 4.420 nan 0.000 0.215 260 P C 1.602 178.851 177.300 -0.086 0.000 1.153 260 P CA 1.546 64.608 63.100 -0.063 0.000 0.853 260 P CB -0.047 31.619 31.700 -0.058 0.000 0.788 261 T N -0.447 114.018 114.554 -0.148 0.000 2.708 261 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 261 T C 1.629 176.205 174.700 -0.205 0.000 1.037 261 T CA 1.084 63.049 62.100 -0.225 0.000 1.146 261 T CB -0.924 67.676 68.868 -0.446 0.000 0.865 261 T HN -0.078 nan 8.240 nan 0.000 0.435 262 L N 1.544 122.648 121.223 -0.198 0.000 2.013 262 L HA -0.102 4.237 4.340 -0.000 0.000 0.212 262 L C 2.880 179.718 176.870 -0.054 0.000 1.073 262 L CA 1.839 56.598 54.840 -0.134 0.000 0.753 262 L CB -1.410 40.583 42.059 -0.110 0.000 0.890 262 L HN 0.263 nan 8.230 nan 0.000 0.432 263 A N -0.789 122.015 122.820 -0.027 0.000 1.958 263 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 263 A C 2.529 180.197 177.584 0.141 0.000 1.178 263 A CA 2.453 54.516 52.037 0.045 0.000 0.642 263 A CB -0.575 18.446 19.000 0.036 0.000 0.816 263 A HN 0.375 nan 8.150 nan 0.000 0.453 264 K N -0.687 119.763 120.400 0.084 0.000 2.076 264 K HA 0.174 4.494 4.320 -0.000 0.000 0.204 264 K C 1.975 178.684 176.600 0.181 0.000 1.051 264 K CA 0.982 57.351 56.287 0.137 0.000 0.949 264 K CB -1.007 31.516 32.500 0.039 0.000 0.726 264 K HN 0.623 nan 8.250 nan 0.000 0.443 265 L N 1.337 122.602 121.223 0.071 0.000 2.189 265 L HA -0.087 4.253 4.340 -0.000 0.000 0.214 265 L C 2.117 179.016 176.870 0.048 0.000 1.097 265 L CA 1.313 56.190 54.840 0.060 0.000 0.764 265 L CB -0.890 41.170 42.059 0.001 0.000 0.900 265 L HN 0.353 nan 8.230 nan 0.000 0.436 266 I N -4.653 115.923 120.570 0.010 0.000 3.686 266 I HA -0.119 4.051 4.170 -0.000 0.000 0.308 266 I C 0.742 176.691 176.117 -0.280 0.000 1.254 266 I CA 0.625 61.844 61.300 -0.135 0.000 1.175 266 I CB -0.484 37.386 38.000 -0.215 0.000 1.009 266 I HN 0.090 nan 8.210 nan 0.000 0.459 267 Y N 0.282 120.582 120.300 -0.000 0.000 2.641 267 Y HA 0.335 4.885 4.550 -0.000 0.000 0.248 267 Y C 1.390 177.300 175.900 0.018 0.000 1.170 267 Y CA -0.450 57.655 58.100 0.009 0.000 1.201 267 Y CB 0.328 38.791 38.460 0.004 0.000 1.232 267 Y HN 0.138 nan 8.280 nan 0.000 0.537 268 S N 0.281 116.055 115.700 0.123 0.000 2.585 268 S HA 0.122 4.592 4.470 -0.000 0.000 0.273 268 S C 1.340 175.986 174.600 0.076 0.000 1.339 268 S CA -0.271 57.986 58.200 0.095 0.000 1.028 268 S CB 0.578 63.825 63.200 0.077 0.000 0.906 268 S HN 0.273 nan 8.310 nan 0.000 0.528 269 M N 1.770 121.410 119.600 0.067 0.000 2.476 269 M HA 0.129 4.609 4.480 -0.000 0.000 0.262 269 M C 0.405 176.736 176.300 0.052 0.000 1.111 269 M CA 0.412 55.746 55.300 0.057 0.000 1.127 269 M CB -1.427 31.200 32.600 0.045 0.000 1.376 269 M HN 0.642 nan 8.290 nan 0.000 0.465 270 D N 0.976 121.404 120.400 0.046 0.000 2.339 270 D HA 0.069 4.709 4.640 -0.000 0.000 0.256 270 D C 0.895 177.217 176.300 0.038 0.000 1.214 270 D CA 0.364 54.386 54.000 0.037 0.000 0.877 270 D CB 1.231 42.049 40.800 0.029 0.000 1.111 270 D HN 0.023 nan 8.370 nan 0.000 0.478 271 T N 2.917 117.495 114.554 0.040 0.000 2.708 271 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 271 T C 1.560 176.269 174.700 0.015 0.000 1.037 271 T CA 1.145 63.267 62.100 0.036 0.000 1.146 271 T CB -0.171 68.728 68.868 0.051 0.000 0.865 271 T HN 0.541 nan 8.240 nan 0.000 0.435 272 E N 0.202 120.408 120.200 0.011 0.000 2.058 272 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 272 E C 2.418 179.034 176.600 0.027 0.000 0.997 272 E CA 1.528 57.931 56.400 0.004 0.000 0.801 272 E CB -0.084 29.599 29.700 -0.029 0.000 0.746 272 E HN 0.373 nan 8.360 nan 0.000 0.450 273 T N 1.655 116.228 114.554 0.031 0.000 2.652 273 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 273 T C 1.837 176.567 174.700 0.050 0.000 1.039 273 T CA 1.061 63.196 62.100 0.058 0.000 1.153 273 T CB -0.382 68.525 68.868 0.065 0.000 0.863 273 T HN 0.170 nan 8.240 nan 0.000 0.428 274 L N 1.100 122.337 121.223 0.024 0.000 1.997 274 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 274 L C 2.527 179.375 176.870 -0.037 0.000 1.074 274 L CA 1.682 56.513 54.840 -0.015 0.000 0.763 274 L CB -0.561 41.481 42.059 -0.030 0.000 0.890 274 L HN 0.148 nan 8.230 nan 0.000 0.434 275 V N 0.211 120.114 119.914 -0.019 0.000 2.252 275 V HA -0.359 3.761 4.120 -0.000 0.000 0.249 275 V C 2.211 178.379 176.094 0.123 0.000 1.056 275 V CA 2.337 64.645 62.300 0.013 0.000 1.022 275 V CB -0.662 31.203 31.823 0.071 0.000 0.641 275 V HN 0.524 nan 8.190 nan 0.000 0.445 276 D N -0.132 120.364 120.400 0.161 0.000 2.218 276 D HA -0.090 4.550 4.640 -0.000 0.000 0.204 276 D C 2.153 178.527 176.300 0.123 0.000 0.976 276 D CA 1.451 55.578 54.000 0.212 0.000 0.853 276 D CB -0.149 40.777 40.800 0.209 0.000 0.939 276 D HN 0.469 nan 8.370 nan 0.000 0.481 277 A N 0.245 123.096 122.820 0.052 0.000 1.930 277 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 277 A C 2.521 180.068 177.584 -0.061 0.000 1.175 277 A CA 0.951 52.985 52.037 -0.004 0.000 0.627 277 A CB -0.750 18.239 19.000 -0.018 0.000 0.815 277 A HN 0.316 nan 8.150 nan 0.000 0.443 278 C N -2.779 116.456 119.300 -0.108 0.000 2.453 278 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 278 C C 2.384 177.205 174.990 -0.281 0.000 1.262 278 C CA 0.497 59.383 59.018 -0.219 0.000 1.718 278 C CB -1.754 25.799 27.740 -0.313 0.000 2.031 278 C HN 0.835 nan 8.230 nan 0.000 0.480 279 W N 0.983 122.125 121.300 -0.264 0.000 2.342 279 W HA -0.131 4.529 4.660 -0.000 0.000 0.297 279 W C 2.613 178.630 176.519 -0.836 0.000 1.213 279 W CA 1.198 58.235 57.345 -0.514 0.000 1.251 279 W CB -0.350 28.874 29.460 -0.394 0.000 1.136 279 W HN 0.315 nan 8.180 nan 0.000 0.526 280 A N 0.006 122.710 122.820 -0.193 0.000 1.898 280 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 280 A C 1.813 179.356 177.584 -0.068 0.000 1.181 280 A CA 1.472 53.446 52.037 -0.106 0.000 0.620 280 A CB -0.846 18.156 19.000 0.003 0.000 0.819 280 A HN 0.287 nan 8.150 nan 0.000 0.442 281 I N 0.758 121.274 120.570 -0.091 0.000 2.315 281 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 281 I C 2.815 178.919 176.117 -0.022 0.000 1.117 281 I CA 1.502 62.776 61.300 -0.042 0.000 1.404 281 I CB -0.241 37.719 38.000 -0.068 0.000 1.071 281 I HN 0.508 nan 8.210 nan 0.000 0.419 282 S N 0.344 115.978 115.700 -0.110 0.000 2.402 282 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 282 S C 2.011 176.698 174.600 0.146 0.000 1.021 282 S CA 0.862 59.039 58.200 -0.040 0.000 0.974 282 S CB -0.611 62.504 63.200 -0.143 0.000 0.800 282 S HN 0.351 nan 8.310 nan 0.000 0.484 283 Y N 1.811 122.201 120.300 0.149 0.000 2.263 283 Y HA 0.273 4.823 4.550 -0.000 0.000 0.292 283 Y C 2.186 178.174 175.900 0.146 0.000 1.130 283 Y CA -0.272 57.913 58.100 0.143 0.000 1.179 283 Y CB -0.819 37.719 38.460 0.129 0.000 0.998 283 Y HN 0.254 nan 8.280 nan 0.000 0.532 284 L N -1.192 120.216 121.223 0.308 0.000 2.376 284 L HA -0.094 4.246 4.340 -0.000 0.000 0.219 284 L C 1.880 178.926 176.870 0.293 0.000 1.133 284 L CA 0.842 55.891 54.840 0.348 0.000 0.816 284 L CB -0.367 41.866 42.059 0.291 0.000 0.933 284 L HN 0.068 nan 8.230 nan 0.000 0.449 285 S N -0.400 115.413 115.700 0.188 0.000 2.501 285 S HA -0.061 4.409 4.470 -0.000 0.000 0.220 285 S C 1.001 175.656 174.600 0.091 0.000 0.997 285 S CA 0.476 58.743 58.200 0.113 0.000 0.919 285 S CB -0.169 63.079 63.200 0.079 0.000 0.778 285 S HN 0.549 nan 8.310 nan 0.000 0.523 286 D N 1.652 122.131 120.400 0.132 0.000 2.396 286 D HA 0.201 4.841 4.640 -0.000 0.000 0.255 286 D C 0.761 177.092 176.300 0.052 0.000 1.224 286 D CA -0.021 54.045 54.000 0.111 0.000 0.894 286 D CB -0.522 40.365 40.800 0.145 0.000 0.939 286 D HN 0.302 nan 8.370 nan 0.000 0.506 287 G N 0.094 108.893 108.800 -0.001 0.000 2.971 287 G HA2 0.558 4.518 3.960 -0.000 0.000 0.235 287 G HA3 0.558 4.518 3.960 -0.000 0.000 0.235 287 G C -2.354 172.469 174.900 -0.128 0.000 1.351 287 G CA -1.286 43.762 45.100 -0.085 0.000 1.039 287 G HN 0.093 nan 8.290 nan 0.000 0.563 288 P HA 0.123 nan 4.420 nan 0.000 0.274 288 P C 0.193 177.377 177.300 -0.193 0.000 1.260 288 P CA -0.104 62.888 63.100 -0.178 0.000 0.793 288 P CB 1.182 32.760 31.700 -0.203 0.000 1.048 289 Q N -0.042 119.673 119.800 -0.142 0.000 2.197 289 Q HA -0.229 4.111 4.340 -0.000 0.000 0.207 289 Q C 2.429 178.343 176.000 -0.145 0.000 0.984 289 Q CA 2.570 58.302 55.803 -0.118 0.000 0.869 289 Q CB -0.592 28.096 28.738 -0.083 0.000 0.906 289 Q HN 0.716 nan 8.270 nan 0.000 0.426 290 E N 1.015 121.093 120.200 -0.202 0.000 2.058 290 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 290 E C 1.962 178.387 176.600 -0.291 0.000 0.997 290 E CA 1.447 57.715 56.400 -0.221 0.000 0.801 290 E CB -0.852 28.676 29.700 -0.286 0.000 0.746 290 E HN 0.523 nan 8.360 nan 0.000 0.450 291 A N 0.445 122.932 122.820 -0.555 0.000 1.898 291 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 291 A C 2.499 180.006 177.584 -0.127 0.000 1.181 291 A CA 1.483 53.143 52.037 -0.628 0.000 0.620 291 A CB -0.358 18.125 19.000 -0.862 0.000 0.819 291 A HN 0.520 nan 8.150 nan 0.000 0.442 292 I N -0.874 119.626 120.570 -0.118 0.000 2.286 292 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 292 I C 2.712 178.825 176.117 -0.008 0.000 1.115 292 I CA 1.693 62.968 61.300 -0.041 0.000 1.392 292 I CB -0.290 37.677 38.000 -0.056 0.000 1.065 292 I HN 0.364 nan 8.210 nan 0.000 0.418 293 Q N 1.177 120.966 119.800 -0.017 0.000 2.167 293 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 293 Q C 2.159 178.191 176.000 0.053 0.000 0.970 293 Q CA 1.858 57.666 55.803 0.009 0.000 0.855 293 Q CB -0.211 28.527 28.738 -0.001 0.000 0.911 293 Q HN 0.492 nan 8.270 nan 0.000 0.438 294 A N -0.689 122.196 122.820 0.108 0.000 1.858 294 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 294 A C 2.231 179.888 177.584 0.122 0.000 1.190 294 A CA 1.693 53.832 52.037 0.170 0.000 0.617 294 A CB -0.942 18.285 19.000 0.379 0.000 0.827 294 A HN 0.249 nan 8.150 nan 0.000 0.443 295 V N 0.403 120.390 119.914 0.122 0.000 2.332 295 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 295 V C 2.433 178.552 176.094 0.042 0.000 1.055 295 V CA 2.095 64.441 62.300 0.077 0.000 1.038 295 V CB -0.755 31.107 31.823 0.066 0.000 0.651 295 V HN 0.566 nan 8.190 nan 0.000 0.450 296 I N 0.141 120.731 120.570 0.033 0.000 2.226 296 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 296 I C 2.239 178.368 176.117 0.020 0.000 1.100 296 I CA 1.688 62.998 61.300 0.017 0.000 1.374 296 I CB -0.524 37.480 38.000 0.006 0.000 1.057 296 I HN 0.347 nan 8.210 nan 0.000 0.413 297 D N 0.119 120.536 120.400 0.029 0.000 2.219 297 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 297 D C 1.817 178.132 176.300 0.024 0.000 0.970 297 D CA 0.947 54.962 54.000 0.026 0.000 0.851 297 D CB 0.004 40.823 40.800 0.032 0.000 0.943 297 D HN 0.174 nan 8.370 nan 0.000 0.488 298 V N 1.056 120.987 119.914 0.028 0.000 3.563 298 V HA 0.024 4.144 4.120 -0.000 0.000 0.299 298 V C 0.084 176.193 176.094 0.025 0.000 1.290 298 V CA 0.135 62.448 62.300 0.022 0.000 1.201 298 V CB -1.115 30.719 31.823 0.018 0.000 1.045 298 V HN 0.191 nan 8.190 nan 0.000 0.425 299 R N -0.533 119.981 120.500 0.024 0.000 3.405 299 R HA -0.237 4.103 4.340 -0.000 0.000 0.258 299 R C 0.980 177.302 176.300 0.037 0.000 1.030 299 R CA 1.052 57.168 56.100 0.028 0.000 0.691 299 R CB -2.014 28.303 30.300 0.029 0.000 1.093 299 R HN 0.511 nan 8.270 nan 0.000 0.448 300 I N 0.835 121.420 120.570 0.024 0.000 2.235 300 I HA -0.093 4.076 4.170 -0.000 0.000 0.241 300 I C -0.381 175.730 176.117 -0.011 0.000 1.085 300 I CA 0.509 61.816 61.300 0.011 0.000 1.378 300 I CB -0.923 37.076 38.000 -0.002 0.000 1.076 300 I HN 0.160 nan 8.210 nan 0.000 0.415 301 P HA -0.284 nan 4.420 nan 0.000 0.220 301 P C 1.353 178.636 177.300 -0.027 0.000 1.155 301 P CA 1.905 64.990 63.100 -0.026 0.000 0.880 301 P CB -0.101 31.586 31.700 -0.022 0.000 0.790 302 K N 0.250 120.644 120.400 -0.010 0.000 2.057 302 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 302 K C 2.361 178.951 176.600 -0.018 0.000 1.049 302 K CA 1.543 57.826 56.287 -0.006 0.000 0.931 302 K CB -0.797 31.712 32.500 0.015 0.000 0.714 302 K HN -0.153 nan 8.250 nan 0.000 0.440 303 R N 0.277 120.761 120.500 -0.025 0.000 2.066 303 R HA 0.009 4.349 4.340 -0.000 0.000 0.232 303 R C 2.056 178.278 176.300 -0.130 0.000 1.131 303 R CA 1.366 57.405 56.100 -0.101 0.000 0.955 303 R CB -1.116 29.068 30.300 -0.193 0.000 0.851 303 R HN 0.268 nan 8.270 nan 0.000 0.432 304 L N 0.083 121.239 121.223 -0.112 0.000 2.089 304 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 304 L C 2.228 179.043 176.870 -0.091 0.000 1.079 304 L CA 1.504 56.277 54.840 -0.112 0.000 0.758 304 L CB -0.536 41.469 42.059 -0.091 0.000 0.891 304 L HN 0.097 nan 8.230 nan 0.000 0.433 305 V N -0.859 119.014 119.914 -0.068 0.000 2.379 305 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 305 V C 2.288 178.354 176.094 -0.047 0.000 1.044 305 V CA 1.713 63.981 62.300 -0.052 0.000 1.036 305 V CB -0.576 31.224 31.823 -0.038 0.000 0.664 305 V HN 0.506 nan 8.190 nan 0.000 0.453 306 E N 0.261 120.431 120.200 -0.049 0.000 2.209 306 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 306 E C 2.086 178.664 176.600 -0.036 0.000 0.993 306 E CA 1.023 57.401 56.400 -0.038 0.000 0.819 306 E CB -0.207 29.470 29.700 -0.039 0.000 0.745 306 E HN 0.509 nan 8.360 nan 0.000 0.477 307 L N 0.676 121.863 121.223 -0.061 0.000 2.395 307 L HA -0.074 4.266 4.340 -0.000 0.000 0.218 307 L C 2.130 178.984 176.870 -0.027 0.000 1.130 307 L CA 0.254 55.066 54.840 -0.047 0.000 0.826 307 L CB -0.155 41.835 42.059 -0.114 0.000 0.941 307 L HN 0.181 nan 8.230 nan 0.000 0.451 308 L N -0.476 120.725 121.223 -0.037 0.000 2.191 308 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 308 L C 2.158 179.030 176.870 0.003 0.000 1.103 308 L CA 1.272 56.094 54.840 -0.030 0.000 0.769 308 L CB -0.428 41.612 42.059 -0.032 0.000 0.908 308 L HN 0.350 nan 8.230 nan 0.000 0.438 309 S N -2.275 113.433 115.700 0.014 0.000 2.622 309 S HA 0.031 4.501 4.470 -0.000 0.000 0.236 309 S C 0.613 175.239 174.600 0.044 0.000 0.956 309 S CA -0.601 57.611 58.200 0.020 0.000 0.971 309 S CB -0.648 62.553 63.200 0.001 0.000 0.782 309 S HN 0.326 nan 8.310 nan 0.000 0.468 310 H N 2.148 121.193 119.070 -0.042 0.000 2.671 310 H HA 0.179 4.735 4.556 -0.000 0.000 0.372 310 H C 0.619 175.931 175.328 -0.028 0.000 1.227 310 H CA 0.724 56.749 56.048 -0.038 0.000 1.426 310 H CB 1.101 30.832 29.762 -0.051 0.000 1.480 310 H HN 0.343 nan 8.280 nan 0.000 0.611 311 E N 0.586 120.747 120.200 -0.064 0.000 2.474 311 E HA 0.069 4.419 4.350 -0.000 0.000 0.194 311 E C 0.356 177.058 176.600 0.170 0.000 1.041 311 E CA -0.139 56.284 56.400 0.038 0.000 0.874 311 E CB 0.276 29.937 29.700 -0.065 0.000 0.914 311 E HN 0.208 nan 8.360 nan 0.000 0.498 312 S N 0.789 116.757 115.700 0.447 0.000 2.457 312 S HA 0.182 4.652 4.470 -0.000 0.000 0.289 312 S C 0.983 175.633 174.600 0.083 0.000 1.163 312 S CA -0.290 58.038 58.200 0.214 0.000 1.078 312 S CB 0.716 64.036 63.200 0.200 0.000 0.987 312 S HN 0.312 nan 8.310 nan 0.000 0.482 313 T N 3.733 118.315 114.554 0.046 0.000 3.098 313 T HA 0.026 4.375 4.350 -0.000 0.000 0.266 313 T C 1.587 176.278 174.700 -0.014 0.000 1.145 313 T CA 0.588 62.696 62.100 0.012 0.000 1.092 313 T CB -0.400 68.483 68.868 0.024 0.000 0.908 313 T HN 0.625 nan 8.240 nan 0.000 0.526 314 L N 0.199 121.413 121.223 -0.016 0.000 2.291 314 L HA 0.065 4.405 4.340 -0.000 0.000 0.214 314 L C 2.516 179.321 176.870 -0.109 0.000 1.120 314 L CA 0.473 55.309 54.840 -0.006 0.000 0.799 314 L CB -0.312 41.759 42.059 0.020 0.000 0.925 314 L HN 0.223 nan 8.230 nan 0.000 0.446 315 V N -1.067 118.706 119.914 -0.235 0.000 2.685 315 V HA -0.102 4.018 4.120 -0.000 0.000 0.244 315 V C 2.244 178.168 176.094 -0.282 0.000 1.054 315 V CA 0.856 62.938 62.300 -0.364 0.000 1.076 315 V CB -0.027 31.339 31.823 -0.762 0.000 0.725 315 V HN 0.391 nan 8.190 nan 0.000 0.467 316 Q N -0.086 119.603 119.800 -0.185 0.000 2.119 316 Q HA -0.168 4.172 4.340 -0.000 0.000 0.201 316 Q C 2.323 178.227 176.000 -0.162 0.000 0.972 316 Q CA 2.042 57.768 55.803 -0.128 0.000 0.847 316 Q CB -0.330 28.377 28.738 -0.051 0.000 0.903 316 Q HN 0.581 nan 8.270 nan 0.000 0.433 317 T N 1.800 116.250 114.554 -0.173 0.000 2.643 317 T HA -0.110 4.240 4.350 -0.000 0.000 0.264 317 T C -0.960 173.466 174.700 -0.457 0.000 1.045 317 T CA 1.610 63.587 62.100 -0.204 0.000 1.155 317 T CB -1.091 67.737 68.868 -0.067 0.000 0.863 317 T HN 0.327 nan 8.240 nan 0.000 0.420 318 P HA 0.088 nan 4.420 nan 0.000 0.221 318 P C 1.317 178.254 177.300 -0.605 0.000 1.150 318 P CA 1.106 63.479 63.100 -1.212 0.000 0.800 318 P CB -0.059 30.540 31.700 -1.835 0.000 0.787 319 A N 0.337 122.907 122.820 -0.418 0.000 1.898 319 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 319 A C 2.216 179.692 177.584 -0.179 0.000 1.181 319 A CA 1.315 53.196 52.037 -0.261 0.000 0.620 319 A CB -1.596 17.278 19.000 -0.211 0.000 0.819 319 A HN 0.179 nan 8.150 nan 0.000 0.442 320 L N -0.318 120.812 121.223 -0.156 0.000 2.093 320 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 320 L C 2.318 179.184 176.870 -0.006 0.000 1.085 320 L CA 2.248 57.049 54.840 -0.064 0.000 0.755 320 L CB -0.624 41.415 42.059 -0.034 0.000 0.904 320 L HN 0.380 nan 8.230 nan 0.000 0.435 321 R N -0.061 120.397 120.500 -0.070 0.000 2.120 321 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 321 R C 2.058 178.395 176.300 0.062 0.000 1.123 321 R CA 1.568 57.681 56.100 0.021 0.000 0.975 321 R CB -0.600 29.637 30.300 -0.106 0.000 0.866 321 R HN 0.482 nan 8.270 nan 0.000 0.446 322 A N -0.565 122.229 122.820 -0.044 0.000 1.874 322 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 322 A C 2.253 179.828 177.584 -0.016 0.000 1.189 322 A CA 1.199 53.221 52.037 -0.024 0.000 0.615 322 A CB -0.591 18.361 19.000 -0.080 0.000 0.830 322 A HN 0.150 nan 8.150 nan 0.000 0.443 323 V N 0.224 120.114 119.914 -0.040 0.000 2.287 323 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 323 V C 2.808 178.854 176.094 -0.080 0.000 1.053 323 V CA 2.165 64.431 62.300 -0.056 0.000 1.027 323 V CB -1.379 30.409 31.823 -0.059 0.000 0.646 323 V HN 0.612 nan 8.190 nan 0.000 0.447 324 G N -0.123 108.650 108.800 -0.045 0.000 2.422 324 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 324 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 324 G C 1.409 176.142 174.900 -0.277 0.000 1.146 324 G CA 0.836 45.795 45.100 -0.234 0.000 0.769 324 G HN 0.527 nan 8.290 nan 0.000 0.547 325 N N 0.579 119.289 118.700 0.018 0.000 2.244 325 N HA -0.018 4.722 4.740 -0.000 0.000 0.183 325 N C 2.196 177.678 175.510 -0.048 0.000 1.016 325 N CA 0.593 53.672 53.050 0.049 0.000 0.866 325 N CB -0.113 38.446 38.487 0.121 0.000 0.980 325 N HN 0.367 nan 8.380 nan 0.000 0.430 326 I N 0.836 121.366 120.570 -0.066 0.000 2.163 326 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 326 I C 1.907 177.958 176.117 -0.109 0.000 1.081 326 I CA 0.851 62.108 61.300 -0.072 0.000 1.353 326 I CB -0.416 37.549 38.000 -0.059 0.000 1.054 326 I HN -0.041 nan 8.210 nan 0.000 0.407 327 V N -2.507 117.311 119.914 -0.160 0.000 3.440 327 V HA -0.140 3.980 4.120 -0.000 0.000 0.274 327 V C 1.874 177.847 176.094 -0.202 0.000 1.207 327 V CA 1.590 63.782 62.300 -0.180 0.000 1.183 327 V CB -1.472 30.220 31.823 -0.219 0.000 0.837 327 V HN 0.352 nan 8.190 nan 0.000 0.532 328 T N 0.766 115.208 114.554 -0.186 0.000 2.985 328 T HA 0.212 4.562 4.350 -0.000 0.000 0.266 328 T C 1.252 175.891 174.700 -0.103 0.000 1.076 328 T CA 0.983 62.990 62.100 -0.155 0.000 1.135 328 T CB -0.256 68.553 68.868 -0.099 0.000 0.890 328 T HN 0.798 nan 8.240 nan 0.000 0.480 329 G N 1.973 110.720 108.800 -0.089 0.000 2.611 329 G HA2 0.298 4.258 3.960 -0.000 0.000 0.273 329 G HA3 0.298 4.258 3.960 -0.000 0.000 0.273 329 G C 0.084 174.945 174.900 -0.064 0.000 1.305 329 G CA -0.723 44.335 45.100 -0.069 0.000 1.010 329 G HN 0.556 nan 8.290 nan 0.000 0.509 330 N N -0.671 117.998 118.700 -0.052 0.000 2.297 330 N HA -0.005 4.735 4.740 -0.000 0.000 0.232 330 N C 0.523 176.007 175.510 -0.043 0.000 1.311 330 N CA 0.311 53.335 53.050 -0.043 0.000 0.897 330 N CB 0.394 38.860 38.487 -0.035 0.000 1.137 330 N HN 0.345 nan 8.380 nan 0.000 0.449 331 D N -0.363 120.015 120.400 -0.036 0.000 2.133 331 D HA -0.147 4.493 4.640 -0.000 0.000 0.192 331 D C 1.761 178.042 176.300 -0.033 0.000 1.001 331 D CA 1.305 55.284 54.000 -0.034 0.000 0.844 331 D CB -0.353 40.431 40.800 -0.026 0.000 0.944 331 D HN 0.388 nan 8.370 nan 0.000 0.447 332 L N 0.631 121.837 121.223 -0.029 0.000 2.046 332 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 332 L C 2.435 179.288 176.870 -0.029 0.000 1.077 332 L CA 1.536 56.361 54.840 -0.025 0.000 0.747 332 L CB -0.796 41.251 42.059 -0.021 0.000 0.896 332 L HN 0.066 nan 8.230 nan 0.000 0.432 333 Q N -1.417 118.362 119.800 -0.034 0.000 2.167 333 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 333 Q C 2.018 177.992 176.000 -0.045 0.000 0.970 333 Q CA 1.741 57.523 55.803 -0.037 0.000 0.855 333 Q CB -0.239 28.474 28.738 -0.041 0.000 0.911 333 Q HN 0.489 nan 8.270 nan 0.000 0.438 334 T N 0.548 115.072 114.554 -0.051 0.000 2.985 334 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 334 T C 1.691 176.361 174.700 -0.050 0.000 1.076 334 T CA 0.593 62.657 62.100 -0.061 0.000 1.135 334 T CB 0.052 68.878 68.868 -0.070 0.000 0.890 334 T HN 0.147 nan 8.240 nan 0.000 0.480 335 Q N 0.703 120.479 119.800 -0.039 0.000 2.167 335 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 335 Q C 2.539 178.521 176.000 -0.029 0.000 0.970 335 Q CA 0.767 56.551 55.803 -0.032 0.000 0.855 335 Q CB -0.533 28.189 28.738 -0.026 0.000 0.911 335 Q HN 0.389 nan 8.270 nan 0.000 0.438 336 V N 0.262 120.159 119.914 -0.029 0.000 2.392 336 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 336 V C 2.366 178.443 176.094 -0.027 0.000 1.059 336 V CA 1.504 63.789 62.300 -0.024 0.000 1.051 336 V CB -0.520 31.290 31.823 -0.021 0.000 0.658 336 V HN 0.108 nan 8.190 nan 0.000 0.455 337 V N -0.653 119.239 119.914 -0.037 0.000 2.591 337 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 337 V C 2.102 178.172 176.094 -0.040 0.000 1.053 337 V CA 1.435 63.710 62.300 -0.042 0.000 1.068 337 V CB -0.372 31.417 31.823 -0.057 0.000 0.689 337 V HN 0.427 nan 8.190 nan 0.000 0.462 338 I N 0.867 121.413 120.570 -0.039 0.000 2.252 338 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 338 I C 2.243 178.343 176.117 -0.028 0.000 1.102 338 I CA 1.249 62.528 61.300 -0.035 0.000 1.385 338 I CB -0.421 37.558 38.000 -0.034 0.000 1.064 338 I HN 0.359 nan 8.210 nan 0.000 0.414 339 N N 1.333 120.018 118.700 -0.025 0.000 2.381 339 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 339 N C 1.587 177.087 175.510 -0.017 0.000 1.025 339 N CA 1.223 54.262 53.050 -0.019 0.000 0.888 339 N CB -0.237 38.240 38.487 -0.017 0.000 0.965 339 N HN 0.300 nan 8.380 nan 0.000 0.438 340 A N 0.187 122.996 122.820 -0.019 0.000 2.252 340 A HA 0.378 4.698 4.320 -0.000 0.000 0.207 340 A C 1.365 178.938 177.584 -0.018 0.000 1.194 340 A CA 0.570 52.597 52.037 -0.017 0.000 0.809 340 A CB -0.593 18.395 19.000 -0.020 0.000 0.814 340 A HN 0.282 nan 8.150 nan 0.000 0.482 341 G N -1.374 107.415 108.800 -0.019 0.000 2.198 341 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.257 341 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.257 341 G C 0.870 175.757 174.900 -0.021 0.000 1.042 341 G CA 0.550 45.639 45.100 -0.018 0.000 0.791 341 G HN 1.003 nan 8.290 nan 0.000 0.502 342 V N -0.024 119.873 119.914 -0.027 0.000 2.548 342 V HA -0.003 4.117 4.120 -0.000 0.000 0.249 342 V C 2.694 178.771 176.094 -0.028 0.000 1.055 342 V CA 2.436 64.717 62.300 -0.031 0.000 1.065 342 V CB -0.209 31.589 31.823 -0.042 0.000 0.681 342 V HN 0.557 nan 8.190 nan 0.000 0.462 343 L N 0.255 121.463 121.223 -0.026 0.000 1.994 343 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 343 L C 0.124 176.987 176.870 -0.013 0.000 1.071 343 L CA 1.948 56.776 54.840 -0.020 0.000 0.745 343 L CB -2.046 40.002 42.059 -0.020 0.000 0.892 343 L HN 0.341 nan 8.230 nan 0.000 0.431 344 P HA -0.131 nan 4.420 nan 0.000 0.218 344 P C 1.367 178.662 177.300 -0.007 0.000 1.149 344 P CA 1.520 64.615 63.100 -0.008 0.000 0.817 344 P CB 0.021 31.716 31.700 -0.009 0.000 0.785 345 A N -0.791 122.022 122.820 -0.011 0.000 1.969 345 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 345 A C 2.092 179.672 177.584 -0.008 0.000 1.169 345 A CA 1.185 53.216 52.037 -0.011 0.000 0.635 345 A CB -1.510 17.480 19.000 -0.017 0.000 0.810 345 A HN 0.132 nan 8.150 nan 0.000 0.445 346 L N -1.238 119.980 121.223 -0.008 0.000 2.156 346 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 346 L C 2.681 179.554 176.870 0.004 0.000 1.095 346 L CA 1.035 55.874 54.840 -0.003 0.000 0.770 346 L CB -0.387 41.668 42.059 -0.007 0.000 0.914 346 L HN 0.419 nan 8.230 nan 0.000 0.439 347 R N -0.050 120.452 120.500 0.004 0.000 2.091 347 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 347 R C 2.268 178.573 176.300 0.008 0.000 1.136 347 R CA 1.587 57.692 56.100 0.008 0.000 0.959 347 R CB -0.183 30.122 30.300 0.007 0.000 0.856 347 R HN 0.196 nan 8.270 nan 0.000 0.437 348 L N 0.645 121.871 121.223 0.005 0.000 2.027 348 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 348 L C 2.540 179.415 176.870 0.008 0.000 1.074 348 L CA 1.300 56.143 54.840 0.006 0.000 0.745 348 L CB -1.058 41.003 42.059 0.003 0.000 0.898 348 L HN 0.389 nan 8.230 nan 0.000 0.433 349 L N -0.756 120.472 121.223 0.008 0.000 2.261 349 L HA -0.215 4.125 4.340 -0.000 0.000 0.216 349 L C 2.418 179.298 176.870 0.016 0.000 1.114 349 L CA 1.073 55.920 54.840 0.011 0.000 0.777 349 L CB -0.596 41.470 42.059 0.011 0.000 0.910 349 L HN 0.340 nan 8.230 nan 0.000 0.440 350 L N -1.358 119.875 121.223 0.017 0.000 2.275 350 L HA -0.111 4.229 4.340 -0.000 0.000 0.215 350 L C 2.196 179.076 176.870 0.017 0.000 1.119 350 L CA 0.689 55.540 54.840 0.019 0.000 0.790 350 L CB -0.332 41.739 42.059 0.019 0.000 0.919 350 L HN 0.168 nan 8.230 nan 0.000 0.443 351 S N -1.091 114.617 115.700 0.014 0.000 2.548 351 S HA -0.009 4.461 4.470 -0.000 0.000 0.215 351 S C 0.990 175.598 174.600 0.013 0.000 0.976 351 S CA -0.114 58.093 58.200 0.012 0.000 0.908 351 S CB 0.055 63.261 63.200 0.010 0.000 0.781 351 S HN 0.369 nan 8.310 nan 0.000 0.519 352 S N 3.599 119.307 115.700 0.014 0.000 2.642 352 S HA 0.000 4.470 4.470 -0.000 0.000 0.308 352 S C -0.896 173.713 174.600 0.015 0.000 1.255 352 S CA -0.899 57.310 58.200 0.015 0.000 1.057 352 S CB 0.709 63.918 63.200 0.015 0.000 0.785 352 S HN 0.194 nan 8.310 nan 0.000 0.500 353 P HA -0.049 nan 4.420 nan 0.000 0.219 353 P C 0.247 177.558 177.300 0.017 0.000 1.150 353 P CA 0.520 63.629 63.100 0.016 0.000 0.814 353 P CB -0.012 31.698 31.700 0.015 0.000 0.787 354 K N 1.166 121.577 120.400 0.019 0.000 2.378 354 K HA 0.003 4.323 4.320 -0.000 0.000 0.288 354 K C 1.324 177.936 176.600 0.020 0.000 1.057 354 K CA 0.188 56.487 56.287 0.020 0.000 0.971 354 K CB 0.169 32.682 32.500 0.022 0.000 0.975 354 K HN 0.020 nan 8.250 nan 0.000 0.475 355 E N 3.796 124.008 120.200 0.020 0.000 2.038 355 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 355 E C 1.356 177.965 176.600 0.016 0.000 1.000 355 E CA 2.090 58.501 56.400 0.019 0.000 0.803 355 E CB -0.146 29.565 29.700 0.019 0.000 0.750 355 E HN 0.721 nan 8.360 nan 0.000 0.448 356 N N 0.073 118.782 118.700 0.015 0.000 2.430 356 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 356 N C 1.720 177.236 175.510 0.010 0.000 1.032 356 N CA 0.893 53.947 53.050 0.007 0.000 0.893 356 N CB -0.088 38.405 38.487 0.009 0.000 0.957 356 N HN 0.340 nan 8.380 nan 0.000 0.442 357 I N 0.921 121.501 120.570 0.017 0.000 2.406 357 I HA -0.165 4.005 4.170 -0.000 0.000 0.249 357 I C 1.973 178.107 176.117 0.030 0.000 1.122 357 I CA 0.791 62.103 61.300 0.020 0.000 1.431 357 I CB 0.000 38.009 38.000 0.015 0.000 1.087 357 I HN 0.035 nan 8.210 nan 0.000 0.424 358 K N 0.886 121.302 120.400 0.027 0.000 2.057 358 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 358 K C 2.113 178.739 176.600 0.043 0.000 1.049 358 K CA 1.267 57.573 56.287 0.031 0.000 0.931 358 K CB -0.126 32.389 32.500 0.024 0.000 0.714 358 K HN 0.190 nan 8.250 nan 0.000 0.440 359 K N 1.712 122.132 120.400 0.034 0.000 1.969 359 K HA -0.205 4.115 4.320 -0.000 0.000 0.216 359 K C 1.834 178.487 176.600 0.088 0.000 1.048 359 K CA 1.827 58.135 56.287 0.036 0.000 0.948 359 K CB -0.008 32.490 32.500 -0.005 0.000 0.726 359 K HN 0.113 nan 8.250 nan 0.000 0.442 360 E N -0.063 120.185 120.200 0.081 0.000 2.267 360 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 360 E C 1.857 178.621 176.600 0.272 0.000 0.998 360 E CA 0.879 57.403 56.400 0.207 0.000 0.830 360 E CB -0.097 29.679 29.700 0.126 0.000 0.751 360 E HN 0.459 nan 8.360 nan 0.000 0.491 361 A N 0.824 123.729 122.820 0.142 0.000 1.898 361 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 361 A C 2.421 180.061 177.584 0.094 0.000 1.181 361 A CA 0.952 53.046 52.037 0.095 0.000 0.620 361 A CB -0.634 18.399 19.000 0.055 0.000 0.819 361 A HN 0.334 nan 8.150 nan 0.000 0.442 362 C N -2.658 116.710 119.300 0.114 0.000 2.440 362 C HA -0.096 4.364 4.460 -0.000 0.000 0.278 362 C C 2.311 177.389 174.990 0.147 0.000 1.295 362 C CA 0.448 59.531 59.018 0.108 0.000 1.738 362 C CB -1.555 26.247 27.740 0.104 0.000 1.987 362 C HN 0.879 nan 8.230 nan 0.000 0.492 363 W N 2.112 123.398 121.300 -0.023 0.000 2.333 363 W HA -0.171 4.489 4.660 -0.000 0.000 0.316 363 W C 2.304 178.791 176.519 -0.053 0.000 1.215 363 W CA 2.423 59.736 57.345 -0.055 0.000 1.278 363 W CB -0.956 28.463 29.460 -0.068 0.000 1.154 363 W HN 0.196 nan 8.180 nan 0.000 0.486 364 T N 1.799 116.259 114.554 -0.157 0.000 2.622 364 T HA -0.280 4.070 4.350 -0.000 0.000 0.266 364 T C 1.893 176.447 174.700 -0.244 0.000 1.047 364 T CA 2.624 64.495 62.100 -0.382 0.000 1.159 364 T CB -0.745 68.022 68.868 -0.168 0.000 0.863 364 T HN 0.201 nan 8.240 nan 0.000 0.422 365 I N 1.953 122.464 120.570 -0.099 0.000 2.185 365 I HA -0.256 3.914 4.170 -0.000 0.000 0.246 365 I C 2.817 178.896 176.117 -0.063 0.000 1.088 365 I CA 1.677 62.941 61.300 -0.060 0.000 1.347 365 I CB -0.592 37.404 38.000 -0.006 0.000 1.041 365 I HN 0.363 nan 8.210 nan 0.000 0.415 366 S N 0.670 116.336 115.700 -0.057 0.000 2.402 366 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 366 S C 1.721 176.264 174.600 -0.095 0.000 1.021 366 S CA 1.078 59.267 58.200 -0.018 0.000 0.974 366 S CB -0.433 62.807 63.200 0.068 0.000 0.800 366 S HN 0.439 nan 8.310 nan 0.000 0.484 367 N N 1.223 119.782 118.700 -0.236 0.000 2.494 367 N HA 0.215 4.955 4.740 -0.000 0.000 0.182 367 N C 1.443 176.855 175.510 -0.162 0.000 1.076 367 N CA 0.809 53.712 53.050 -0.246 0.000 0.908 367 N CB -0.163 38.077 38.487 -0.412 0.000 0.967 367 N HN 0.545 nan 8.380 nan 0.000 0.449 368 I N 0.318 120.807 120.570 -0.135 0.000 2.852 368 I HA -0.087 4.083 4.170 -0.000 0.000 0.264 368 I C 1.667 177.755 176.117 -0.049 0.000 1.179 368 I CA 0.836 62.082 61.300 -0.091 0.000 1.480 368 I CB -0.118 37.831 38.000 -0.084 0.000 1.111 368 I HN 0.071 nan 8.210 nan 0.000 0.441 369 T N -1.641 112.896 114.554 -0.029 0.000 3.129 369 T HA 0.240 4.590 4.350 -0.000 0.000 0.251 369 T C 1.451 176.158 174.700 0.013 0.000 1.117 369 T CA 0.506 62.607 62.100 0.003 0.000 1.034 369 T CB 0.187 69.072 68.868 0.028 0.000 0.968 369 T HN 0.245 nan 8.240 nan 0.000 0.526 370 A N 0.687 123.504 122.820 -0.005 0.000 2.275 370 A HA 0.681 5.001 4.320 -0.000 0.000 0.212 370 A C 1.436 179.015 177.584 -0.008 0.000 1.201 370 A CA 0.069 52.110 52.037 0.006 0.000 0.843 370 A CB -0.504 18.489 19.000 -0.010 0.000 0.873 370 A HN 0.597 nan 8.150 nan 0.000 0.492 371 G N 0.501 109.289 108.800 -0.019 0.000 2.509 371 G HA2 0.360 4.320 3.960 -0.000 0.000 0.269 371 G HA3 0.360 4.320 3.960 -0.000 0.000 0.269 371 G C 0.160 175.054 174.900 -0.010 0.000 1.416 371 G CA -0.132 44.955 45.100 -0.022 0.000 1.052 371 G HN 0.614 nan 8.290 nan 0.000 0.542 372 N N -1.596 117.096 118.700 -0.013 0.000 2.260 372 N HA 0.092 4.832 4.740 -0.000 0.000 0.230 372 N C 1.162 176.669 175.510 -0.006 0.000 1.323 372 N CA 0.593 53.638 53.050 -0.008 0.000 0.897 372 N CB -0.280 38.201 38.487 -0.010 0.000 1.146 372 N HN 0.254 nan 8.380 nan 0.000 0.460 373 T N -1.364 113.188 114.554 -0.003 0.000 2.720 373 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 373 T C 2.034 176.729 174.700 -0.008 0.000 1.037 373 T CA 2.340 64.438 62.100 -0.002 0.000 1.144 373 T CB -1.016 67.851 68.868 -0.001 0.000 0.864 373 T HN 0.724 nan 8.240 nan 0.000 0.444 374 E N 1.784 121.977 120.200 -0.012 0.000 2.077 374 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 374 E C 1.960 178.549 176.600 -0.019 0.000 0.989 374 E CA 1.528 57.918 56.400 -0.017 0.000 0.800 374 E CB -1.058 28.632 29.700 -0.017 0.000 0.746 374 E HN 0.753 nan 8.360 nan 0.000 0.452 375 Q N -0.623 119.166 119.800 -0.018 0.000 2.170 375 Q HA 0.031 4.371 4.340 -0.000 0.000 0.203 375 Q C 2.457 178.447 176.000 -0.017 0.000 0.976 375 Q CA 1.310 57.101 55.803 -0.021 0.000 0.858 375 Q CB -0.173 28.550 28.738 -0.025 0.000 0.907 375 Q HN 0.620 nan 8.270 nan 0.000 0.433 376 I N 0.377 120.941 120.570 -0.010 0.000 2.315 376 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 376 I C 2.450 178.564 176.117 -0.005 0.000 1.117 376 I CA 0.922 62.223 61.300 0.001 0.000 1.404 376 I CB -0.076 37.931 38.000 0.011 0.000 1.071 376 I HN 0.205 nan 8.210 nan 0.000 0.419 377 Q N 1.336 121.124 119.800 -0.018 0.000 2.123 377 Q HA -0.101 4.239 4.340 -0.000 0.000 0.199 377 Q C 2.183 178.156 176.000 -0.045 0.000 0.966 377 Q CA 1.924 57.703 55.803 -0.040 0.000 0.845 377 Q CB -0.231 28.482 28.738 -0.042 0.000 0.907 377 Q HN 0.459 nan 8.270 nan 0.000 0.439 378 A N -0.496 122.304 122.820 -0.033 0.000 1.908 378 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 378 A C 2.247 179.815 177.584 -0.027 0.000 1.181 378 A CA 1.818 53.836 52.037 -0.032 0.000 0.627 378 A CB -0.943 18.040 19.000 -0.027 0.000 0.818 378 A HN 0.276 nan 8.150 nan 0.000 0.445 379 V N 0.123 120.027 119.914 -0.017 0.000 2.343 379 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 379 V C 2.406 178.505 176.094 0.008 0.000 1.051 379 V CA 1.971 64.270 62.300 -0.002 0.000 1.036 379 V CB -0.647 31.181 31.823 0.009 0.000 0.654 379 V HN 0.575 nan 8.190 nan 0.000 0.451 380 I N 0.097 120.663 120.570 -0.006 0.000 2.286 380 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 380 I C 2.146 178.201 176.117 -0.104 0.000 1.115 380 I CA 1.487 62.765 61.300 -0.037 0.000 1.392 380 I CB -0.423 37.490 38.000 -0.145 0.000 1.065 380 I HN 0.341 nan 8.210 nan 0.000 0.418 381 D N 0.992 121.336 120.400 -0.095 0.000 2.224 381 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 381 D C 2.153 178.427 176.300 -0.043 0.000 0.965 381 D CA 1.101 55.049 54.000 -0.086 0.000 0.852 381 D CB 0.060 40.817 40.800 -0.073 0.000 0.947 381 D HN 0.311 nan 8.370 nan 0.000 0.494 382 A N 0.517 123.323 122.820 -0.024 0.000 2.119 382 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 382 A C 0.830 178.418 177.584 0.007 0.000 1.153 382 A CA 0.369 52.400 52.037 -0.009 0.000 0.692 382 A CB -0.144 18.852 19.000 -0.006 0.000 0.799 382 A HN 0.177 nan 8.150 nan 0.000 0.458 383 N N -2.041 116.672 118.700 0.021 0.000 2.816 383 N HA -0.135 4.605 4.740 -0.000 0.000 0.247 383 N C 0.046 175.592 175.510 0.059 0.000 1.100 383 N CA 0.610 53.693 53.050 0.055 0.000 0.687 383 N CB -1.134 37.377 38.487 0.040 0.000 1.003 383 N HN 0.275 nan 8.380 nan 0.000 0.554 384 L N 0.158 121.418 121.223 0.062 0.000 2.416 384 L HA 0.201 4.541 4.340 -0.000 0.000 0.216 384 L C 2.312 179.218 176.870 0.060 0.000 1.098 384 L CA 0.362 55.232 54.840 0.050 0.000 0.840 384 L CB -0.159 41.922 42.059 0.036 0.000 0.981 384 L HN 0.293 nan 8.230 nan 0.000 0.462 385 I N 0.673 121.303 120.570 0.099 0.000 2.163 385 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 385 I C -0.032 176.092 176.117 0.011 0.000 1.085 385 I CA 1.663 63.005 61.300 0.070 0.000 1.347 385 I CB -2.346 35.725 38.000 0.119 0.000 1.044 385 I HN 0.173 nan 8.210 nan 0.000 0.408 386 P HA -0.128 nan 4.420 nan 0.000 0.214 386 P C -1.138 176.159 177.300 -0.006 0.000 1.163 386 P CA 2.210 65.303 63.100 -0.012 0.000 0.889 386 P CB -1.293 30.413 31.700 0.010 0.000 0.790 387 P HA -0.128 nan 4.420 nan 0.000 0.218 387 P C 1.572 178.877 177.300 0.008 0.000 1.149 387 P CA 1.136 64.241 63.100 0.009 0.000 0.817 387 P CB -0.274 31.434 31.700 0.015 0.000 0.785 388 L N 0.031 121.261 121.223 0.012 0.000 2.046 388 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 388 L C 2.754 179.625 176.870 0.002 0.000 1.077 388 L CA 1.538 56.387 54.840 0.014 0.000 0.747 388 L CB -1.506 40.566 42.059 0.022 0.000 0.896 388 L HN -0.186 nan 8.230 nan 0.000 0.432 389 V N -0.761 119.145 119.914 -0.014 0.000 2.490 389 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 389 V C 2.578 178.660 176.094 -0.021 0.000 1.061 389 V CA 1.632 63.915 62.300 -0.029 0.000 1.064 389 V CB -0.537 31.253 31.823 -0.057 0.000 0.670 389 V HN 0.386 nan 8.190 nan 0.000 0.461 390 K N 0.443 120.835 120.400 -0.014 0.000 2.025 390 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 390 K C 1.900 178.500 176.600 -0.000 0.000 1.049 390 K CA 1.569 57.851 56.287 -0.009 0.000 0.933 390 K CB -0.509 31.988 32.500 -0.005 0.000 0.714 390 K HN 0.385 nan 8.250 nan 0.000 0.438 391 L N 0.494 121.720 121.223 0.005 0.000 2.141 391 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 391 L C 2.262 179.138 176.870 0.010 0.000 1.094 391 L CA 0.486 55.333 54.840 0.011 0.000 0.763 391 L CB -0.401 41.667 42.059 0.016 0.000 0.908 391 L HN 0.277 nan 8.230 nan 0.000 0.437 392 L N 0.845 122.072 121.223 0.006 0.000 2.131 392 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 392 L C 2.379 179.254 176.870 0.008 0.000 1.092 392 L CA 2.330 57.172 54.840 0.004 0.000 0.759 392 L CB -0.470 41.586 42.059 -0.005 0.000 0.903 392 L HN 0.557 nan 8.230 nan 0.000 0.435 393 E N -0.755 119.447 120.200 0.004 0.000 2.364 393 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 393 E C 1.473 178.082 176.600 0.015 0.000 0.990 393 E CA 1.033 57.437 56.400 0.007 0.000 0.886 393 E CB 0.046 29.743 29.700 -0.005 0.000 0.866 393 E HN 0.383 nan 8.360 nan 0.000 0.493 394 V N -2.835 117.089 119.914 0.016 0.000 3.451 394 V HA 0.548 4.668 4.120 -0.000 0.000 0.288 394 V C 0.980 177.090 176.094 0.027 0.000 1.502 394 V CA -0.170 62.142 62.300 0.020 0.000 1.026 394 V CB 0.219 32.050 31.823 0.013 0.000 0.840 394 V HN 0.290 nan 8.190 nan 0.000 0.437 395 A N 1.057 123.893 122.820 0.027 0.000 2.325 395 A HA 0.498 4.818 4.320 -0.000 0.000 0.260 395 A C 0.549 178.160 177.584 0.046 0.000 1.133 395 A CA -0.153 51.901 52.037 0.029 0.000 0.801 395 A CB -0.001 19.011 19.000 0.020 0.000 1.092 395 A HN 0.474 nan 8.150 nan 0.000 0.504 396 E N -1.187 119.040 120.200 0.046 0.000 2.409 396 E HA 0.026 4.376 4.350 -0.000 0.000 0.257 396 E C 0.568 177.225 176.600 0.094 0.000 1.150 396 E CA -0.063 56.381 56.400 0.073 0.000 0.942 396 E CB 0.133 29.868 29.700 0.059 0.000 0.979 396 E HN 0.657 nan 8.360 nan 0.000 0.447 397 Y N 2.643 122.956 120.300 0.022 0.000 2.128 397 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 397 Y C 2.225 178.148 175.900 0.038 0.000 1.154 397 Y CA 2.554 60.670 58.100 0.027 0.000 1.149 397 Y CB -0.085 38.389 38.460 0.023 0.000 0.976 397 Y HN 0.527 nan 8.280 nan 0.000 0.505 398 K N -1.863 118.498 120.400 -0.066 0.000 2.360 398 K HA -0.124 4.196 4.320 -0.000 0.000 0.201 398 K C 1.513 178.042 176.600 -0.118 0.000 1.046 398 K CA 1.834 58.048 56.287 -0.123 0.000 0.940 398 K CB -0.464 32.028 32.500 -0.014 0.000 0.748 398 K HN 0.240 nan 8.250 nan 0.000 0.465 399 T N 0.923 115.429 114.554 -0.081 0.000 3.021 399 T HA 0.068 4.418 4.350 -0.000 0.000 0.245 399 T C 1.465 176.136 174.700 -0.047 0.000 1.028 399 T CA 0.449 62.526 62.100 -0.037 0.000 1.139 399 T CB 0.096 68.962 68.868 -0.003 0.000 0.884 399 T HN 0.232 nan 8.240 nan 0.000 0.457 400 K N 1.509 121.862 120.400 -0.077 0.000 2.074 400 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 400 K C 2.289 178.833 176.600 -0.093 0.000 1.048 400 K CA 1.258 57.508 56.287 -0.062 0.000 0.926 400 K CB -0.139 32.338 32.500 -0.038 0.000 0.713 400 K HN 0.193 nan 8.250 nan 0.000 0.444 401 K N 1.150 121.404 120.400 -0.243 0.000 2.059 401 K HA -0.260 4.059 4.320 -0.000 0.000 0.212 401 K C 2.019 178.691 176.600 0.120 0.000 1.050 401 K CA 1.914 58.090 56.287 -0.185 0.000 0.927 401 K CB 0.026 32.314 32.500 -0.353 0.000 0.714 401 K HN -0.008 nan 8.250 nan 0.000 0.447 402 E N -0.309 119.957 120.200 0.110 0.000 2.107 402 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 402 E C 1.663 178.383 176.600 0.200 0.000 0.982 402 E CA 1.157 57.686 56.400 0.214 0.000 0.809 402 E CB -0.148 29.638 29.700 0.142 0.000 0.756 402 E HN 0.414 nan 8.360 nan 0.000 0.459 403 A N 0.173 123.056 122.820 0.104 0.000 1.908 403 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 403 A C 2.513 180.144 177.584 0.077 0.000 1.181 403 A CA 1.592 53.675 52.037 0.077 0.000 0.627 403 A CB -1.277 17.745 19.000 0.037 0.000 0.818 403 A HN 0.500 nan 8.150 nan 0.000 0.445 404 C N -1.508 117.824 119.300 0.054 0.000 2.388 404 C HA -0.197 4.263 4.460 -0.000 0.000 0.277 404 C C 2.369 177.363 174.990 0.007 0.000 1.210 404 C CA 1.367 60.376 59.018 -0.014 0.000 1.743 404 C CB -1.713 25.971 27.740 -0.094 0.000 2.047 404 C HN 0.739 nan 8.230 nan 0.000 0.458 405 W N 1.094 122.397 121.300 0.005 0.000 2.315 405 W HA -0.145 4.515 4.660 0.000 0.000 0.323 405 W C 2.793 179.317 176.519 0.008 0.000 1.233 405 W CA 2.327 59.680 57.345 0.014 0.000 1.267 405 W CB -1.166 28.313 29.460 0.032 0.000 1.160 405 W HN 0.464 nan 8.180 nan 0.000 0.474 406 A N 0.391 123.369 122.820 0.263 0.000 1.896 406 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 406 A C 1.883 179.524 177.584 0.094 0.000 1.206 406 A CA 2.591 54.713 52.037 0.141 0.000 0.647 406 A CB -1.222 17.837 19.000 0.100 0.000 0.828 406 A HN 0.355 nan 8.150 nan 0.000 0.455 407 I N -1.068 119.542 120.570 0.067 0.000 2.315 407 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 407 I C 2.832 178.962 176.117 0.022 0.000 1.117 407 I CA 1.460 62.780 61.300 0.033 0.000 1.404 407 I CB -0.309 37.695 38.000 0.007 0.000 1.071 407 I HN 0.446 nan 8.210 nan 0.000 0.419 408 S N 1.095 116.801 115.700 0.010 0.000 2.355 408 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 408 S C 1.879 176.494 174.600 0.025 0.000 1.031 408 S CA 1.508 59.696 58.200 -0.020 0.000 0.993 408 S CB -0.261 62.871 63.200 -0.113 0.000 0.859 408 S HN 0.407 nan 8.310 nan 0.000 0.453 409 N N 1.858 120.608 118.700 0.083 0.000 2.149 409 N HA -0.045 4.695 4.740 -0.000 0.000 0.188 409 N C 1.871 177.417 175.510 0.060 0.000 1.019 409 N CA 1.264 54.372 53.050 0.097 0.000 0.857 409 N CB -0.756 37.814 38.487 0.138 0.000 0.997 409 N HN 0.522 nan 8.380 nan 0.000 0.426 410 A N 1.190 124.042 122.820 0.054 0.000 1.902 410 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 410 A C 2.403 180.011 177.584 0.040 0.000 1.181 410 A CA 2.060 54.125 52.037 0.047 0.000 0.623 410 A CB -0.858 18.174 19.000 0.054 0.000 0.818 410 A HN 0.466 nan 8.150 nan 0.000 0.443 411 S N -0.140 115.578 115.700 0.031 0.000 2.440 411 S HA -0.146 4.324 4.470 -0.000 0.000 0.238 411 S C 1.932 176.546 174.600 0.023 0.000 1.010 411 S CA 1.575 59.788 58.200 0.022 0.000 0.972 411 S CB -0.668 62.536 63.200 0.006 0.000 0.774 411 S HN 0.456 nan 8.310 nan 0.000 0.501 412 S N 2.127 117.843 115.700 0.027 0.000 2.351 412 S HA 0.016 4.486 4.470 -0.000 0.000 0.220 412 S C 1.981 176.596 174.600 0.025 0.000 1.035 412 S CA 1.179 59.395 58.200 0.027 0.000 1.031 412 S CB -1.257 61.964 63.200 0.034 0.000 0.928 412 S HN 0.781 nan 8.310 nan 0.000 0.433 413 G N 0.555 109.371 108.800 0.026 0.000 2.780 413 G HA2 0.111 4.071 3.960 -0.000 0.000 0.205 413 G HA3 0.111 4.071 3.960 -0.000 0.000 0.205 413 G C 1.006 175.920 174.900 0.023 0.000 1.158 413 G CA 0.630 45.744 45.100 0.022 0.000 0.812 413 G HN 0.543 nan 8.290 nan 0.000 0.521 414 G N -0.080 108.735 108.800 0.025 0.000 2.494 414 G HA2 0.174 4.134 3.960 -0.000 0.000 0.216 414 G HA3 0.174 4.134 3.960 -0.000 0.000 0.216 414 G C 1.820 176.733 174.900 0.022 0.000 1.140 414 G CA 1.054 46.169 45.100 0.026 0.000 0.801 414 G HN 0.622 nan 8.290 nan 0.000 0.536 415 L N 0.015 121.251 121.223 0.021 0.000 2.012 415 L HA 0.166 4.506 4.340 -0.000 0.000 0.210 415 L C 2.993 179.874 176.870 0.017 0.000 1.073 415 L CA 3.137 57.989 54.840 0.020 0.000 0.748 415 L CB -1.781 40.291 42.059 0.020 0.000 0.891 415 L HN 0.512 nan 8.230 nan 0.000 0.431 416 Q N 0.187 119.996 119.800 0.016 0.000 1.994 416 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 416 Q C 1.918 177.925 176.000 0.012 0.000 0.976 416 Q CA 1.225 57.035 55.803 0.012 0.000 0.828 416 Q CB -0.340 28.404 28.738 0.010 0.000 0.894 416 Q HN 0.828 nan 8.270 nan 0.000 0.432 417 R N 1.267 121.775 120.500 0.014 0.000 2.332 417 R HA 0.216 4.556 4.340 -0.000 0.000 0.306 417 R C -1.999 174.314 176.300 0.022 0.000 1.117 417 R CA -1.663 54.446 56.100 0.014 0.000 1.108 417 R CB 1.450 31.756 30.300 0.010 0.000 1.126 417 R HN 0.362 nan 8.270 nan 0.000 0.548 418 P HA -0.191 nan 4.420 nan 0.000 0.220 418 P C -0.111 177.212 177.300 0.037 0.000 1.144 418 P CA 1.283 64.400 63.100 0.027 0.000 0.800 418 P CB 0.466 32.180 31.700 0.023 0.000 0.772 419 D N -0.231 120.191 120.400 0.037 0.000 2.178 419 D HA -0.065 4.575 4.640 -0.000 0.000 0.202 419 D C 2.116 178.466 176.300 0.084 0.000 0.974 419 D CA 0.655 54.686 54.000 0.052 0.000 0.841 419 D CB -0.633 40.186 40.800 0.033 0.000 0.953 419 D HN 0.196 nan 8.370 nan 0.000 0.478 420 I N 0.773 121.386 120.570 0.070 0.000 2.118 420 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 420 I C 1.993 178.184 176.117 0.123 0.000 1.070 420 I CA 0.756 62.118 61.300 0.103 0.000 1.327 420 I CB -0.264 37.776 38.000 0.066 0.000 1.034 420 I HN 0.078 nan 8.210 nan 0.000 0.405 421 I N 0.599 121.214 120.570 0.075 0.000 2.163 421 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 421 I C 2.681 178.834 176.117 0.060 0.000 1.085 421 I CA 1.651 62.984 61.300 0.054 0.000 1.347 421 I CB -1.287 36.734 38.000 0.035 0.000 1.044 421 I HN 0.289 nan 8.210 nan 0.000 0.408 422 R N -0.464 120.083 120.500 0.077 0.000 2.083 422 R HA -0.241 4.098 4.340 -0.000 0.000 0.237 422 R C 2.396 178.754 176.300 0.096 0.000 1.137 422 R CA 1.737 57.886 56.100 0.082 0.000 0.951 422 R CB -0.641 29.710 30.300 0.084 0.000 0.851 422 R HN 0.308 nan 8.270 nan 0.000 0.434 423 Y N 1.583 121.886 120.300 0.005 0.000 2.070 423 Y HA -0.267 4.283 4.550 -0.000 0.000 0.280 423 Y C 1.965 177.859 175.900 -0.009 0.000 1.148 423 Y CA 1.469 59.568 58.100 -0.002 0.000 1.125 423 Y CB -0.623 37.836 38.460 -0.002 0.000 0.975 423 Y HN -0.103 nan 8.280 nan 0.000 0.492 424 L N -0.451 120.704 121.223 -0.114 0.000 2.021 424 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 424 L C 2.606 179.356 176.870 -0.200 0.000 1.074 424 L CA 1.752 56.472 54.840 -0.200 0.000 0.760 424 L CB -1.494 40.537 42.059 -0.046 0.000 0.889 424 L HN 0.194 nan 8.230 nan 0.000 0.433 425 V N -0.589 119.257 119.914 -0.113 0.000 2.427 425 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 425 V C 2.576 178.564 176.094 -0.178 0.000 1.051 425 V CA 1.645 63.876 62.300 -0.114 0.000 1.048 425 V CB -0.785 31.027 31.823 -0.018 0.000 0.666 425 V HN 0.705 nan 8.190 nan 0.000 0.456 426 S N -0.404 115.204 115.700 -0.154 0.000 2.419 426 S HA -0.228 4.242 4.470 -0.000 0.000 0.233 426 S C 1.740 176.212 174.600 -0.213 0.000 1.016 426 S CA 1.001 59.111 58.200 -0.149 0.000 0.974 426 S CB -0.351 62.809 63.200 -0.067 0.000 0.786 426 S HN 0.571 nan 8.310 nan 0.000 0.492 427 Q N 0.997 120.608 119.800 -0.315 0.000 2.444 427 Q HA 0.244 4.584 4.340 -0.000 0.000 0.206 427 Q C 1.225 177.099 176.000 -0.210 0.000 0.948 427 Q CA 0.639 56.263 55.803 -0.299 0.000 0.946 427 Q CB -0.338 28.131 28.738 -0.448 0.000 1.027 427 Q HN 0.837 nan 8.270 nan 0.000 0.513 428 G N 1.411 110.085 108.800 -0.211 0.000 2.291 428 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.271 428 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.271 428 G C 0.751 175.565 174.900 -0.143 0.000 1.099 428 G CA 0.305 45.294 45.100 -0.186 0.000 0.919 428 G HN 0.514 nan 8.290 nan 0.000 0.496 429 C N -1.827 117.392 119.300 -0.135 0.000 2.634 429 C HA 0.493 4.952 4.460 -0.000 0.000 0.268 429 C C 2.504 177.449 174.990 -0.074 0.000 1.322 429 C CA 0.646 59.608 59.018 -0.094 0.000 1.737 429 C CB -0.885 26.804 27.740 -0.086 0.000 1.976 429 C HN 0.556 nan 8.230 nan 0.000 0.547 430 I N 2.026 122.544 120.570 -0.086 0.000 2.099 430 I HA -0.217 3.953 4.170 -0.000 0.000 0.239 430 I C 2.866 178.960 176.117 -0.039 0.000 1.066 430 I CA 2.152 63.420 61.300 -0.052 0.000 1.324 430 I CB -0.509 37.461 38.000 -0.050 0.000 1.037 430 I HN 0.263 nan 8.210 nan 0.000 0.401 431 K N 1.436 121.802 120.400 -0.056 0.000 2.032 431 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 431 K C -0.711 175.872 176.600 -0.027 0.000 1.048 431 K CA 1.934 58.199 56.287 -0.037 0.000 0.927 431 K CB -1.392 31.079 32.500 -0.049 0.000 0.712 431 K HN 0.154 nan 8.250 nan 0.000 0.441 432 P HA -0.090 nan 4.420 nan 0.000 0.221 432 P C 1.013 178.304 177.300 -0.015 0.000 1.150 432 P CA 0.688 63.775 63.100 -0.021 0.000 0.800 432 P CB 0.109 31.794 31.700 -0.027 0.000 0.787 433 L N -0.774 120.435 121.223 -0.023 0.000 2.005 433 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 433 L C 2.401 179.262 176.870 -0.015 0.000 1.072 433 L CA 1.771 56.598 54.840 -0.023 0.000 0.744 433 L CB -1.475 40.566 42.059 -0.029 0.000 0.895 433 L HN 0.019 nan 8.230 nan 0.000 0.433 434 C N -0.240 119.053 119.300 -0.012 0.000 2.413 434 C HA -0.178 4.282 4.460 -0.000 0.000 0.276 434 C C 2.308 177.293 174.990 -0.008 0.000 1.248 434 C CA 0.828 59.840 59.018 -0.010 0.000 1.742 434 C CB -0.975 26.762 27.740 -0.006 0.000 2.017 434 C HN 0.549 nan 8.230 nan 0.000 0.481 435 D N 0.398 120.795 120.400 -0.004 0.000 2.263 435 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 435 D C 1.800 178.106 176.300 0.010 0.000 0.971 435 D CA 0.591 54.592 54.000 0.001 0.000 0.867 435 D CB -0.454 40.347 40.800 0.002 0.000 0.929 435 D HN 0.345 nan 8.370 nan 0.000 0.492 436 L N 0.400 121.632 121.223 0.016 0.000 2.141 436 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 436 L C 1.932 178.821 176.870 0.032 0.000 1.094 436 L CA 1.070 55.934 54.840 0.040 0.000 0.763 436 L CB -0.354 41.729 42.059 0.039 0.000 0.908 436 L HN 0.003 nan 8.230 nan 0.000 0.437 437 L N -0.606 120.621 121.223 0.007 0.000 2.127 437 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 437 L C 2.450 179.316 176.870 -0.007 0.000 1.089 437 L CA 1.284 56.122 54.840 -0.003 0.000 0.757 437 L CB -0.541 41.508 42.059 -0.016 0.000 0.899 437 L HN 0.308 nan 8.230 nan 0.000 0.434 438 E N 0.727 120.923 120.200 -0.007 0.000 2.204 438 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 438 E C 1.700 178.283 176.600 -0.028 0.000 0.989 438 E CA 1.099 57.490 56.400 -0.015 0.000 0.824 438 E CB 0.081 29.774 29.700 -0.011 0.000 0.756 438 E HN 0.700 nan 8.360 nan 0.000 0.477 439 I N -4.259 116.293 120.570 -0.029 0.000 4.327 439 I HA 0.501 4.671 4.170 -0.000 0.000 0.331 439 I C 0.782 176.812 176.117 -0.146 0.000 1.348 439 I CA -0.387 60.861 61.300 -0.086 0.000 1.152 439 I CB 0.298 38.246 38.000 -0.086 0.000 1.151 439 I HN -0.040 nan 8.210 nan 0.000 0.410 440 A N 2.372 125.178 122.820 -0.024 0.000 2.327 440 A HA 0.373 4.693 4.320 -0.000 0.000 0.255 440 A C -0.444 177.143 177.584 0.006 0.000 1.099 440 A CA 0.118 52.189 52.037 0.056 0.000 0.801 440 A CB -0.029 19.054 19.000 0.139 0.000 1.062 440 A HN 0.618 nan 8.150 nan 0.000 0.496 441 D N -0.540 119.915 120.400 0.091 0.000 2.332 441 D HA 0.303 4.943 4.640 -0.000 0.000 0.252 441 D C 0.526 176.864 176.300 0.064 0.000 1.050 441 D CA -0.690 53.346 54.000 0.061 0.000 0.970 441 D CB 0.367 41.230 40.800 0.105 0.000 1.141 441 D HN 0.334 nan 8.370 nan 0.000 0.485 442 N N 0.097 118.823 118.700 0.043 0.000 2.049 442 N HA -0.258 4.482 4.740 -0.000 0.000 0.198 442 N C 1.510 177.040 175.510 0.032 0.000 1.030 442 N CA 1.462 54.531 53.050 0.032 0.000 0.870 442 N CB -0.300 38.205 38.487 0.031 0.000 1.045 442 N HN 0.383 nan 8.380 nan 0.000 0.434 443 R N 0.472 121.008 120.500 0.061 0.000 2.081 443 R HA 0.082 4.422 4.340 -0.000 0.000 0.235 443 R C 1.684 177.984 176.300 -0.001 0.000 1.131 443 R CA 0.849 56.988 56.100 0.065 0.000 0.960 443 R CB -0.482 29.904 30.300 0.143 0.000 0.856 443 R HN 0.221 nan 8.270 nan 0.000 0.436 444 I N 0.377 120.960 120.570 0.023 0.000 2.676 444 I HA -0.154 4.016 4.170 -0.000 0.000 0.259 444 I C 1.935 178.002 176.117 -0.083 0.000 1.194 444 I CA 0.950 62.213 61.300 -0.061 0.000 1.473 444 I CB -0.667 37.368 38.000 0.059 0.000 1.096 444 I HN 0.203 nan 8.210 nan 0.000 0.443 445 I N 0.532 121.081 120.570 -0.035 0.000 2.353 445 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 445 I C 2.336 178.411 176.117 -0.071 0.000 1.119 445 I CA 1.049 62.325 61.300 -0.041 0.000 1.417 445 I CB -0.205 37.785 38.000 -0.017 0.000 1.078 445 I HN 0.233 nan 8.210 nan 0.000 0.421 446 E N 0.460 120.612 120.200 -0.080 0.000 2.077 446 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 446 E C 2.317 178.826 176.600 -0.152 0.000 0.989 446 E CA 1.287 57.632 56.400 -0.090 0.000 0.800 446 E CB -0.004 29.654 29.700 -0.070 0.000 0.746 446 E HN 0.288 nan 8.360 nan 0.000 0.452 447 V N 1.080 120.833 119.914 -0.268 0.000 2.427 447 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 447 V C 2.244 178.183 176.094 -0.259 0.000 1.051 447 V CA 2.003 64.060 62.300 -0.406 0.000 1.048 447 V CB -0.646 30.672 31.823 -0.842 0.000 0.666 447 V HN 0.309 nan 8.190 nan 0.000 0.456 448 T N 0.424 114.863 114.554 -0.191 0.000 2.812 448 T HA -0.023 4.327 4.350 -0.000 0.000 0.264 448 T C 1.875 176.528 174.700 -0.078 0.000 1.042 448 T CA 1.251 63.280 62.100 -0.119 0.000 1.140 448 T CB -0.227 68.593 68.868 -0.081 0.000 0.870 448 T HN 0.298 nan 8.240 nan 0.000 0.445 449 L N 0.873 122.055 121.223 -0.067 0.000 2.141 449 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 449 L C 2.371 179.224 176.870 -0.028 0.000 1.094 449 L CA 0.943 55.762 54.840 -0.034 0.000 0.763 449 L CB -0.500 41.546 42.059 -0.022 0.000 0.908 449 L HN 0.170 nan 8.230 nan 0.000 0.437 450 D N 0.310 120.679 120.400 -0.052 0.000 2.144 450 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 450 D C 2.223 178.503 176.300 -0.034 0.000 0.978 450 D CA 1.432 55.410 54.000 -0.037 0.000 0.833 450 D CB 0.124 40.891 40.800 -0.054 0.000 0.961 450 D HN 0.296 nan 8.370 nan 0.000 0.470 451 A N 1.018 123.805 122.820 -0.054 0.000 1.855 451 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 451 A C 2.421 179.987 177.584 -0.030 0.000 1.191 451 A CA 0.842 52.853 52.037 -0.043 0.000 0.613 451 A CB -0.913 18.052 19.000 -0.058 0.000 0.829 451 A HN 0.175 nan 8.150 nan 0.000 0.442 452 L N -0.643 120.564 121.223 -0.028 0.000 2.079 452 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 452 L C 2.699 179.551 176.870 -0.030 0.000 1.081 452 L CA 1.942 56.773 54.840 -0.016 0.000 0.752 452 L CB -0.428 41.631 42.059 0.000 0.000 0.896 452 L HN 0.642 nan 8.230 nan 0.000 0.433 453 E N 0.107 120.295 120.200 -0.019 0.000 2.047 453 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 453 E C 1.923 178.495 176.600 -0.047 0.000 0.987 453 E CA 1.133 57.520 56.400 -0.022 0.000 0.799 453 E CB 0.123 29.847 29.700 0.040 0.000 0.752 453 E HN 0.482 nan 8.360 nan 0.000 0.449 454 N N 0.843 119.530 118.700 -0.022 0.000 2.084 454 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 454 N C 2.091 177.580 175.510 -0.035 0.000 1.030 454 N CA 1.222 54.263 53.050 -0.015 0.000 0.849 454 N CB -0.310 38.176 38.487 -0.002 0.000 1.012 454 N HN 0.291 nan 8.380 nan 0.000 0.423 455 I N 1.141 121.688 120.570 -0.039 0.000 2.264 455 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 455 I C 1.989 178.058 176.117 -0.081 0.000 1.111 455 I CA 0.802 62.081 61.300 -0.036 0.000 1.382 455 I CB -0.141 37.848 38.000 -0.017 0.000 1.060 455 I HN 0.073 nan 8.210 nan 0.000 0.418 456 I N 0.883 121.350 120.570 -0.172 0.000 2.353 456 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 456 I C 2.408 178.306 176.117 -0.366 0.000 1.119 456 I CA 1.501 62.575 61.300 -0.376 0.000 1.417 456 I CB -0.875 36.687 38.000 -0.730 0.000 1.078 456 I HN 0.266 nan 8.210 nan 0.000 0.421 457 K N 0.519 120.796 120.400 -0.205 0.000 2.063 457 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 457 K C 2.456 179.055 176.600 -0.001 0.000 1.048 457 K CA 2.283 58.559 56.287 -0.018 0.000 0.928 457 K CB -0.347 32.179 32.500 0.045 0.000 0.713 457 K HN 0.331 nan 8.250 nan 0.000 0.442 458 M N 0.797 120.386 119.600 -0.018 0.000 2.067 458 M HA 0.012 4.492 4.480 -0.000 0.000 0.260 458 M C 2.577 178.874 176.300 -0.006 0.000 1.069 458 M CA 2.466 57.766 55.300 -0.001 0.000 1.117 458 M CB -2.070 30.533 32.600 0.006 0.000 1.334 458 M HN 0.377 nan 8.290 nan 0.000 0.407 459 G N -0.483 108.300 108.800 -0.028 0.000 2.479 459 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.220 459 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.220 459 G C 1.477 176.358 174.900 -0.032 0.000 1.115 459 G CA 1.431 46.512 45.100 -0.033 0.000 0.757 459 G HN 0.714 nan 8.290 nan 0.000 0.560 460 E N 0.693 120.884 120.200 -0.014 0.000 2.060 460 E HA 0.225 4.575 4.350 -0.000 0.000 0.189 460 E C 2.666 179.285 176.600 0.032 0.000 0.974 460 E CA 1.022 57.444 56.400 0.038 0.000 0.808 460 E CB -0.507 29.285 29.700 0.153 0.000 0.768 460 E HN 0.197 nan 8.360 nan 0.000 0.453 461 A N 0.417 123.255 122.820 0.031 0.000 2.070 461 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 461 A C 1.524 179.116 177.584 0.013 0.000 1.159 461 A CA 1.915 53.967 52.037 0.025 0.000 0.656 461 A CB -0.530 18.485 19.000 0.025 0.000 0.800 461 A HN 0.256 nan 8.150 nan 0.000 0.453 462 D N -1.308 119.096 120.400 0.007 0.000 2.213 462 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 462 D C 2.101 178.398 176.300 -0.005 0.000 0.961 462 D CA 1.175 55.176 54.000 0.002 0.000 0.853 462 D CB -0.015 40.785 40.800 0.000 0.000 0.967 462 D HN 0.274 nan 8.370 nan 0.000 0.496 463 K N 0.715 121.109 120.400 -0.010 0.000 2.113 463 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 463 K C 2.057 178.652 176.600 -0.009 0.000 1.047 463 K CA 1.892 58.169 56.287 -0.016 0.000 0.928 463 K CB -0.692 31.797 32.500 -0.018 0.000 0.716 463 K HN 0.424 nan 8.250 nan 0.000 0.446 464 E N 0.026 120.225 120.200 -0.002 0.000 1.997 464 E HA 0.085 4.435 4.350 -0.000 0.000 0.196 464 E C 2.274 178.873 176.600 -0.001 0.000 0.990 464 E CA 1.513 57.913 56.400 -0.000 0.000 0.845 464 E CB -1.567 28.136 29.700 0.005 0.000 0.795 464 E HN 0.703 nan 8.360 nan 0.000 0.479 465 A N 0.791 123.613 122.820 0.002 0.000 1.877 465 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 465 A C 2.725 180.309 177.584 -0.000 0.000 1.301 465 A CA 4.196 56.235 52.037 0.002 0.000 0.699 465 A CB -1.502 17.501 19.000 0.005 0.000 0.844 465 A HN 1.200 nan 8.150 nan 0.000 0.464 466 R N -0.653 119.847 120.500 -0.001 0.000 2.397 466 R HA 0.262 4.602 4.340 -0.000 0.000 0.213 466 R C 2.068 178.365 176.300 -0.006 0.000 1.102 466 R CA 1.590 57.688 56.100 -0.003 0.000 1.040 466 R CB -2.117 28.181 30.300 -0.003 0.000 0.844 466 R HN 2.452 nan 8.270 nan 0.000 0.478 467 G N -2.217 106.579 108.800 -0.007 0.000 2.350 467 G HA2 0.162 4.122 3.960 -0.000 0.000 0.298 467 G HA3 0.162 4.122 3.960 -0.000 0.000 0.298 467 G C 0.322 175.213 174.900 -0.014 0.000 1.037 467 G CA 0.625 45.719 45.100 -0.009 0.000 1.074 467 G HN 1.580 nan 8.290 nan 0.000 0.511 468 L N -1.585 119.627 121.223 -0.019 0.000 2.399 468 L HA 0.883 5.223 4.340 -0.000 0.000 0.266 468 L C 1.466 178.318 176.870 -0.030 0.000 1.114 468 L CA 0.690 55.514 54.840 -0.028 0.000 0.804 468 L CB -0.413 41.624 42.059 -0.037 0.000 1.146 468 L HN 1.159 nan 8.230 nan 0.000 0.451 469 N N 1.781 120.460 118.700 -0.034 0.000 2.250 469 N HA 0.235 4.975 4.740 -0.000 0.000 0.181 469 N C 0.807 176.290 175.510 -0.045 0.000 1.017 469 N CA 1.503 54.532 53.050 -0.034 0.000 0.866 469 N CB -0.211 38.257 38.487 -0.032 0.000 0.985 469 N HN 0.758 nan 8.380 nan 0.000 0.429 470 I N -0.945 119.589 120.570 -0.060 0.000 3.023 470 I HA 0.264 4.434 4.170 -0.000 0.000 0.312 470 I C -0.838 175.221 176.117 -0.096 0.000 1.056 470 I CA -1.110 60.142 61.300 -0.080 0.000 1.033 470 I CB 2.018 39.962 38.000 -0.094 0.000 1.233 470 I HN 0.164 nan 8.210 nan 0.000 0.462 471 N N 2.291 120.920 118.700 -0.119 0.000 2.558 471 N HA 0.113 4.853 4.740 -0.000 0.000 0.233 471 N C 0.723 176.116 175.510 -0.195 0.000 1.038 471 N CA 0.502 53.475 53.050 -0.129 0.000 0.934 471 N CB 1.325 39.739 38.487 -0.122 0.000 1.175 471 N HN 0.782 nan 8.380 nan 0.000 0.512 472 E N 3.588 123.655 120.200 -0.221 0.000 2.113 472 E HA -0.298 4.052 4.350 -0.000 0.000 0.210 472 E C 1.266 177.529 176.600 -0.562 0.000 1.040 472 E CA 1.946 58.097 56.400 -0.415 0.000 0.847 472 E CB -0.753 28.761 29.700 -0.309 0.000 0.755 472 E HN 0.720 nan 8.360 nan 0.000 0.459 473 N N 0.286 118.866 118.700 -0.201 0.000 2.223 473 N HA -0.001 4.739 4.740 -0.000 0.000 0.185 473 N C 2.155 177.679 175.510 0.022 0.000 1.016 473 N CA 1.548 54.627 53.050 0.049 0.000 0.863 473 N CB -0.413 38.118 38.487 0.074 0.000 0.983 473 N HN 0.576 nan 8.380 nan 0.000 0.429 474 A N 1.120 123.877 122.820 -0.105 0.000 1.902 474 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 474 A C 2.194 179.798 177.584 0.034 0.000 1.181 474 A CA 2.407 54.379 52.037 -0.108 0.000 0.623 474 A CB -1.240 17.539 19.000 -0.368 0.000 0.818 474 A HN 0.471 nan 8.150 nan 0.000 0.443 475 D N -1.414 118.927 120.400 -0.098 0.000 2.178 475 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 475 D C 1.645 177.982 176.300 0.062 0.000 0.980 475 D CA 1.414 55.379 54.000 -0.058 0.000 0.842 475 D CB -0.533 40.147 40.800 -0.200 0.000 0.948 475 D HN 0.357 nan 8.370 nan 0.000 0.472 476 F N 0.373 120.351 119.950 0.046 0.000 2.146 476 F HA 0.105 4.632 4.527 -0.000 0.000 0.298 476 F C 2.493 178.325 175.800 0.053 0.000 1.096 476 F CA 0.188 58.209 58.000 0.035 0.000 1.275 476 F CB -0.546 38.463 39.000 0.014 0.000 1.008 476 F HN 0.154 nan 8.300 nan 0.000 0.480 477 I N 0.147 120.894 120.570 0.295 0.000 2.315 477 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 477 I C 2.672 178.883 176.117 0.157 0.000 1.117 477 I CA 1.470 62.895 61.300 0.208 0.000 1.404 477 I CB -0.964 37.188 38.000 0.255 0.000 1.071 477 I HN 0.250 nan 8.210 nan 0.000 0.419 478 E N 1.576 121.906 120.200 0.218 0.000 2.072 478 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 478 E C 2.086 178.739 176.600 0.088 0.000 0.985 478 E CA 1.181 57.666 56.400 0.141 0.000 0.801 478 E CB -0.443 29.378 29.700 0.202 0.000 0.750 478 E HN 0.347 nan 8.360 nan 0.000 0.452 479 K N 0.042 120.511 120.400 0.115 0.000 1.991 479 K HA 0.001 4.321 4.320 -0.000 0.000 0.212 479 K C 2.479 179.115 176.600 0.060 0.000 1.049 479 K CA 1.355 57.697 56.287 0.091 0.000 0.932 479 K CB -0.901 31.678 32.500 0.133 0.000 0.717 479 K HN 0.418 nan 8.250 nan 0.000 0.441 480 A N 0.387 123.245 122.820 0.063 0.000 2.225 480 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 480 A C 1.453 179.046 177.584 0.014 0.000 1.164 480 A CA 1.561 53.616 52.037 0.030 0.000 0.710 480 A CB -0.711 18.303 19.000 0.024 0.000 0.780 480 A HN 0.511 nan 8.150 nan 0.000 0.473 481 G N -2.762 106.045 108.800 0.013 0.000 2.136 481 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.242 481 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.242 481 G C 1.206 176.091 174.900 -0.026 0.000 0.989 481 G CA 0.740 45.835 45.100 -0.009 0.000 0.682 481 G HN 1.271 nan 8.290 nan 0.000 0.522 482 G N 0.121 108.908 108.800 -0.022 0.000 2.402 482 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.216 482 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.216 482 G C 1.686 176.516 174.900 -0.116 0.000 1.162 482 G CA 1.717 46.791 45.100 -0.044 0.000 0.777 482 G HN 0.675 nan 8.290 nan 0.000 0.539 483 M N 0.667 120.147 119.600 -0.200 0.000 2.082 483 M HA -0.136 4.344 4.480 -0.000 0.000 0.258 483 M C 2.529 178.710 176.300 -0.199 0.000 1.069 483 M CA 2.398 57.462 55.300 -0.394 0.000 1.102 483 M CB -0.211 32.117 32.600 -0.453 0.000 1.336 483 M HN 0.346 nan 8.290 nan 0.000 0.404 484 E N 0.560 120.693 120.200 -0.110 0.000 2.051 484 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 484 E C 1.808 178.427 176.600 0.032 0.000 0.991 484 E CA 2.032 58.411 56.400 -0.034 0.000 0.799 484 E CB -0.351 29.326 29.700 -0.038 0.000 0.748 484 E HN 0.722 nan 8.360 nan 0.000 0.449 485 K N -0.326 120.066 120.400 -0.013 0.000 2.057 485 K HA 0.003 4.323 4.320 -0.000 0.000 0.207 485 K C 2.364 178.948 176.600 -0.027 0.000 1.049 485 K CA 1.646 57.925 56.287 -0.013 0.000 0.931 485 K CB -0.370 32.116 32.500 -0.023 0.000 0.714 485 K HN 0.342 nan 8.250 nan 0.000 0.440 486 I N 0.325 120.865 120.570 -0.050 0.000 2.286 486 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 486 I C 2.216 178.287 176.117 -0.076 0.000 1.115 486 I CA 1.061 62.320 61.300 -0.068 0.000 1.392 486 I CB -0.215 37.724 38.000 -0.101 0.000 1.065 486 I HN 0.066 nan 8.210 nan 0.000 0.418 487 F N 2.054 121.900 119.950 -0.174 0.000 2.171 487 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 487 F C 2.091 177.793 175.800 -0.163 0.000 1.090 487 F CA 1.835 59.729 58.000 -0.177 0.000 1.293 487 F CB -0.569 38.339 39.000 -0.152 0.000 1.013 487 F HN 0.100 nan 8.300 nan 0.000 0.486 488 N N -1.047 117.601 118.700 -0.086 0.000 2.309 488 N HA -0.174 4.566 4.740 -0.000 0.000 0.182 488 N C 1.514 176.910 175.510 -0.190 0.000 1.018 488 N CA 1.068 54.038 53.050 -0.132 0.000 0.876 488 N CB -0.351 38.123 38.487 -0.023 0.000 0.972 488 N HN 0.253 nan 8.380 nan 0.000 0.434 489 C N 1.306 120.504 119.300 -0.171 0.000 2.485 489 C HA -0.006 4.454 4.460 -0.000 0.000 0.283 489 C C 2.095 176.986 174.990 -0.165 0.000 1.478 489 C CA 0.306 59.248 59.018 -0.126 0.000 1.741 489 C CB -1.353 26.337 27.740 -0.083 0.000 1.675 489 C HN 0.469 nan 8.230 nan 0.000 0.573 490 Q N -0.203 119.377 119.800 -0.368 0.000 2.389 490 Q HA -0.056 4.284 4.340 -0.000 0.000 0.204 490 Q C 1.733 177.581 176.000 -0.253 0.000 0.944 490 Q CA 0.741 56.239 55.803 -0.508 0.000 0.908 490 Q CB -0.018 28.027 28.738 -1.153 0.000 1.002 490 Q HN 0.748 nan 8.270 nan 0.000 0.493 491 Q N 0.268 119.951 119.800 -0.196 0.000 2.247 491 Q HA 0.101 4.441 4.340 -0.000 0.000 0.204 491 Q C 0.011 175.987 176.000 -0.040 0.000 0.872 491 Q CA -0.256 55.475 55.803 -0.119 0.000 0.951 491 Q CB 0.348 29.019 28.738 -0.112 0.000 1.099 491 Q HN 0.224 nan 8.270 nan 0.000 0.501 492 N N 2.308 121.016 118.700 0.013 0.000 2.513 492 N HA -0.063 4.677 4.740 -0.000 0.000 0.268 492 N C 1.058 176.657 175.510 0.149 0.000 1.180 492 N CA 0.296 53.384 53.050 0.063 0.000 0.948 492 N CB 1.101 39.626 38.487 0.063 0.000 1.083 492 N HN 0.155 nan 8.380 nan 0.000 0.455 493 E N 2.388 122.652 120.200 0.107 0.000 2.268 493 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 493 E C 0.127 176.838 176.600 0.185 0.000 0.995 493 E CA 0.642 57.122 56.400 0.133 0.000 0.836 493 E CB -0.423 29.320 29.700 0.071 0.000 0.763 493 E HN 0.506 nan 8.360 nan 0.000 0.491 494 N N 1.847 120.626 118.700 0.132 0.000 2.442 494 N HA -0.028 4.712 4.740 -0.000 0.000 0.265 494 N C -0.389 175.082 175.510 -0.066 0.000 1.138 494 N CA 0.088 53.168 53.050 0.050 0.000 0.956 494 N CB 1.048 39.544 38.487 0.015 0.000 1.067 494 N HN -0.150 nan 8.380 nan 0.000 0.474 495 D N 3.841 124.122 120.400 -0.198 0.000 2.106 495 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 495 D C 2.004 177.953 176.300 -0.585 0.000 0.997 495 D CA 2.754 56.363 54.000 -0.652 0.000 0.834 495 D CB -0.075 40.538 40.800 -0.311 0.000 0.956 495 D HN 0.758 nan 8.370 nan 0.000 0.448 496 K N 0.681 120.923 120.400 -0.263 0.000 2.127 496 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 496 K C 2.037 178.551 176.600 -0.143 0.000 1.047 496 K CA 1.634 57.822 56.287 -0.165 0.000 0.927 496 K CB -1.182 31.269 32.500 -0.083 0.000 0.716 496 K HN 0.277 nan 8.250 nan 0.000 0.450 497 I N -0.481 120.013 120.570 -0.128 0.000 2.206 497 I HA -0.127 4.043 4.170 -0.000 0.000 0.239 497 I C 2.819 178.933 176.117 -0.005 0.000 1.078 497 I CA 1.417 62.686 61.300 -0.051 0.000 1.367 497 I CB -0.420 37.574 38.000 -0.010 0.000 1.078 497 I HN 0.586 nan 8.210 nan 0.000 0.413 498 Y N 1.734 122.049 120.300 0.025 0.000 2.224 498 Y HA -0.191 4.359 4.550 0.000 0.000 0.289 498 Y C 2.358 178.376 175.900 0.198 0.000 1.146 498 Y CA 1.210 59.342 58.100 0.054 0.000 1.182 498 Y CB -1.680 36.843 38.460 0.105 0.000 0.983 498 Y HN -0.041 nan 8.280 nan 0.000 0.524 499 E N 0.616 120.817 120.200 0.002 0.000 2.077 499 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 499 E C 2.104 178.794 176.600 0.150 0.000 0.989 499 E CA 1.518 57.994 56.400 0.126 0.000 0.800 499 E CB -0.430 29.199 29.700 -0.118 0.000 0.746 499 E HN 0.583 nan 8.360 nan 0.000 0.452 500 K N 0.874 121.308 120.400 0.056 0.000 2.097 500 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 500 K C 2.028 178.683 176.600 0.092 0.000 1.049 500 K CA 1.483 57.807 56.287 0.062 0.000 0.933 500 K CB -0.654 31.857 32.500 0.019 0.000 0.717 500 K HN 0.214 nan 8.250 nan 0.000 0.442 501 A N -0.378 122.482 122.820 0.067 0.000 1.858 501 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 501 A C 2.101 179.696 177.584 0.017 0.000 1.190 501 A CA 1.594 53.627 52.037 -0.007 0.000 0.617 501 A CB -1.032 17.885 19.000 -0.138 0.000 0.827 501 A HN 0.425 nan 8.150 nan 0.000 0.443 502 Y N 0.300 120.639 120.300 0.065 0.000 2.165 502 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 502 Y C 3.008 178.961 175.900 0.088 0.000 1.155 502 Y CA 2.237 60.378 58.100 0.069 0.000 1.164 502 Y CB -0.514 37.988 38.460 0.070 0.000 0.978 502 Y HN 0.393 nan 8.280 nan 0.000 0.513 503 K N 0.789 121.338 120.400 0.248 0.000 2.057 503 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 503 K C 1.857 178.562 176.600 0.174 0.000 1.049 503 K CA 1.943 58.328 56.287 0.164 0.000 0.931 503 K CB -1.364 31.212 32.500 0.127 0.000 0.714 503 K HN 0.466 nan 8.250 nan 0.000 0.440 504 I N 0.357 121.061 120.570 0.224 0.000 2.142 504 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 504 I C 2.407 178.779 176.117 0.425 0.000 1.078 504 I CA 1.012 62.526 61.300 0.356 0.000 1.343 504 I CB -0.235 37.940 38.000 0.292 0.000 1.046 504 I HN 0.212 nan 8.210 nan 0.000 0.405 505 I N 0.764 121.520 120.570 0.310 0.000 2.163 505 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 505 I C 2.535 178.841 176.117 0.316 0.000 1.085 505 I CA 1.650 63.159 61.300 0.349 0.000 1.347 505 I CB -1.215 36.932 38.000 0.245 0.000 1.044 505 I HN 0.405 nan 8.210 nan 0.000 0.408 506 E N 0.736 121.065 120.200 0.215 0.000 2.012 506 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 506 E C 2.082 178.699 176.600 0.028 0.000 1.007 506 E CA 2.388 58.865 56.400 0.129 0.000 0.816 506 E CB 0.033 29.796 29.700 0.105 0.000 0.762 506 E HN 0.362 nan 8.360 nan 0.000 0.451 507 T N -0.508 114.001 114.554 -0.075 0.000 2.759 507 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 507 T C 0.884 175.226 174.700 -0.597 0.000 1.042 507 T CA 1.655 63.512 62.100 -0.405 0.000 1.140 507 T CB -0.229 68.243 68.868 -0.660 0.000 0.864 507 T HN 0.324 nan 8.240 nan 0.000 0.455 508 Y N -1.663 118.666 120.300 0.048 0.000 2.500 508 Y HA 0.427 4.977 4.550 -0.000 0.000 0.246 508 Y C 0.088 175.679 175.900 -0.514 0.000 1.146 508 Y CA -0.995 56.979 58.100 -0.209 0.000 1.230 508 Y CB 0.619 38.908 38.460 -0.285 0.000 1.214 508 Y HN 0.088 nan 8.280 nan 0.000 0.526 509 F N 0.168 120.199 119.950 0.135 0.000 2.566 509 F HA 0.646 5.173 4.527 -0.000 0.000 0.347 509 F C 0.636 176.470 175.800 0.056 0.000 1.515 509 F CA -1.048 57.007 58.000 0.091 0.000 1.103 509 F CB 0.630 39.687 39.000 0.095 0.000 1.385 509 F HN -0.074 nan 8.300 nan 0.000 0.560 510 G N 0.000 108.875 108.800 0.125 0.000 5.446 510 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 510 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 510 G CA 0.000 45.153 45.100 0.088 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925