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 2ztn_1_A DATA FIRST_RESID 129 DATA SEQUENCE GAILRRQYNL STSPLTSSVA SGTNLVLYAA PLNPLLPLQD GTNTHIMATE DATA SEQUENCE ASNYAQYRVV RATIRYRPLV PNAVGGYAIS ISFWPQTTTT PTSVDMNSIT DATA SEQUENCE STDVRILVQP GIASELVIPS ERLHYRNQGW RSVETTGVAE EEATSGLVML DATA SEQUENCE CIHGSPVNSY TNTPYTGALG LLDFALELEF RNLTPGNTNT RVSRYTSTAR DATA SEQUENCE HRLRRGADGT AELTTTAATR FMKDLHFTGT NGVGEVGRGI ALTLFNLADT DATA SEQUENCE LLGGLPTELI SSAGGQLFYS RPVVSANGEP TVKLYTSVEN AQQDKGITIP DATA SEQUENCE HDIDLGDSRV VIQDYDNQHE QDRPTPSPAP SRPFSVLRAN DVLWLSLTAA DATA SEQUENCE EYDQTTYGSS TNPMYVSDTV TFVNVATGAQ AVARSLDWSK VTLDGRPLTT DATA SEQUENCE IQQYSKTFYV LPLRGKLSFW EASTTKXXXX XXYNTTASDQ ILIENAAGHR DATA SEQUENCE VAISTYTTSL GAGPTSISAV GVLAPHSA 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 129 G HA2 0.000 nan 3.960 nan 0.000 0.244 129 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 129 G C 0.000 174.975 174.900 0.124 0.000 0.946 129 G CA 0.000 45.154 45.100 0.091 0.000 0.502 130 A N -0.406 122.480 122.820 0.110 0.000 2.469 130 A HA 0.795 5.114 4.320 -0.001 0.000 0.299 130 A C 0.533 178.146 177.584 0.048 0.000 1.098 130 A CA -0.539 51.568 52.037 0.118 0.000 0.737 130 A CB 0.967 20.049 19.000 0.137 0.000 1.312 130 A HN 0.303 nan 8.150 nan 0.000 0.414 131 I N -0.447 120.136 120.570 0.021 0.000 3.030 131 I HA 0.116 4.285 4.170 -0.001 0.000 0.270 131 I C -0.055 176.047 176.117 -0.026 0.000 1.211 131 I CA 1.070 62.371 61.300 0.002 0.000 1.479 131 I CB 0.205 38.210 38.000 0.009 0.000 1.105 131 I HN 0.503 nan 8.210 nan 0.000 0.447 132 L N 0.222 121.405 121.223 -0.066 0.000 2.641 132 L HA 0.442 4.782 4.340 -0.001 0.000 0.261 132 L C -0.962 175.847 176.870 -0.103 0.000 0.926 132 L CA -0.407 54.402 54.840 -0.051 0.000 0.917 132 L CB 1.615 43.655 42.059 -0.033 0.000 1.361 132 L HN -0.052 nan 8.230 nan 0.000 0.417 133 R N 3.638 124.081 120.500 -0.095 0.000 2.439 133 R HA 0.817 5.157 4.340 -0.001 0.000 0.310 133 R C -1.132 175.070 176.300 -0.163 0.000 0.955 133 R CA -0.726 55.278 56.100 -0.160 0.000 0.853 133 R CB 1.363 31.595 30.300 -0.114 0.000 1.171 133 R HN 0.859 nan 8.270 nan 0.000 0.449 134 R N 1.987 122.337 120.500 -0.249 0.000 2.808 134 R HA 0.282 4.621 4.340 -0.001 0.000 0.272 134 R C -1.774 174.226 176.300 -0.500 0.000 0.995 134 R CA -0.654 55.244 56.100 -0.335 0.000 0.917 134 R CB 1.971 32.084 30.300 -0.313 0.000 1.217 134 R HN 0.566 nan 8.270 nan 0.000 0.471 135 Q N 2.643 122.123 119.800 -0.534 0.000 2.331 135 Q HA 0.347 4.686 4.340 -0.001 0.000 0.267 135 Q C -1.629 174.055 176.000 -0.526 0.000 1.006 135 Q CA -0.717 54.833 55.803 -0.422 0.000 0.818 135 Q CB 1.222 29.838 28.738 -0.202 0.000 1.276 135 Q HN 0.687 nan 8.270 nan 0.000 0.450 136 Y N 1.763 122.065 120.300 0.004 0.000 2.446 136 Y HA 0.480 5.029 4.550 -0.001 0.000 0.338 136 Y C -0.005 175.902 175.900 0.013 0.000 1.055 136 Y CA -0.934 57.172 58.100 0.010 0.000 1.101 136 Y CB 1.825 40.287 38.460 0.004 0.000 1.221 136 Y HN 0.540 nan 8.280 nan 0.000 0.460 137 N N 3.745 122.552 118.700 0.178 0.000 2.607 137 N HA 0.436 5.175 4.740 -0.001 0.000 0.271 137 N C -1.784 173.781 175.510 0.092 0.000 1.142 137 N CA -0.261 52.855 53.050 0.111 0.000 0.810 137 N CB 1.598 40.124 38.487 0.065 0.000 1.306 137 N HN 0.529 nan 8.380 nan 0.000 0.536 138 L N 0.693 121.967 121.223 0.085 0.000 2.371 138 L HA 0.659 4.998 4.340 -0.001 0.000 0.262 138 L C -0.093 176.832 176.870 0.091 0.000 1.006 138 L CA -0.796 54.062 54.840 0.030 0.000 0.818 138 L CB 2.141 44.128 42.059 -0.121 0.000 1.354 138 L HN 0.330 nan 8.230 nan 0.000 0.415 139 S N -1.426 114.309 115.700 0.058 0.000 2.541 139 S HA 0.613 5.083 4.470 -0.001 0.000 0.280 139 S C -0.411 174.201 174.600 0.020 0.000 1.112 139 S CA -0.873 57.376 58.200 0.081 0.000 0.925 139 S CB 1.657 64.880 63.200 0.040 0.000 1.067 139 S HN 0.697 nan 8.310 nan 0.000 0.479 140 T N 0.528 115.074 114.554 -0.013 0.000 2.900 140 T HA 0.409 4.758 4.350 -0.001 0.000 0.307 140 T C 0.575 175.246 174.700 -0.048 0.000 1.065 140 T CA -0.465 61.579 62.100 -0.093 0.000 1.105 140 T CB 0.159 68.835 68.868 -0.320 0.000 0.979 140 T HN 0.585 nan 8.240 nan 0.000 0.544 141 S N 3.440 119.130 115.700 -0.017 0.000 2.572 141 S HA 0.186 4.656 4.470 -0.001 0.000 0.267 141 S C -1.996 172.603 174.600 -0.003 0.000 1.361 141 S CA -0.757 57.447 58.200 0.006 0.000 1.009 141 S CB -0.338 62.882 63.200 0.033 0.000 0.888 141 S HN 0.753 nan 8.310 nan 0.000 0.553 142 P HA 0.030 nan 4.420 nan 0.000 0.262 142 P C -0.962 176.354 177.300 0.027 0.000 1.182 142 P CA 0.271 63.374 63.100 0.006 0.000 0.761 142 P CB 0.115 31.821 31.700 0.010 0.000 0.795 143 L N 2.890 124.139 121.223 0.043 0.000 2.312 143 L HA 0.513 4.853 4.340 -0.001 0.000 0.281 143 L C 1.129 178.049 176.870 0.083 0.000 1.070 143 L CA 0.170 55.059 54.840 0.082 0.000 0.805 143 L CB 1.228 43.363 42.059 0.126 0.000 1.174 143 L HN 0.380 nan 8.230 nan 0.000 0.434 144 T N 1.375 115.971 114.554 0.070 0.000 3.032 144 T HA 0.289 4.638 4.350 -0.001 0.000 0.312 144 T C -0.931 173.788 174.700 0.033 0.000 1.078 144 T CA -0.452 61.668 62.100 0.033 0.000 1.028 144 T CB 1.551 70.413 68.868 -0.010 0.000 1.091 144 T HN 0.523 nan 8.240 nan 0.000 0.457 145 S N 2.302 118.012 115.700 0.017 0.000 2.499 145 S HA 0.483 4.953 4.470 -0.001 0.000 0.279 145 S C 1.320 175.917 174.600 -0.004 0.000 1.219 145 S CA 0.045 58.257 58.200 0.019 0.000 1.062 145 S CB 0.722 63.932 63.200 0.018 0.000 0.978 145 S HN 0.863 nan 8.310 nan 0.000 0.489 146 S N 3.556 119.264 115.700 0.013 0.000 2.514 146 S HA 0.172 4.641 4.470 -0.001 0.000 0.223 146 S C 0.197 174.805 174.600 0.012 0.000 1.046 146 S CA -0.159 58.044 58.200 0.005 0.000 0.914 146 S CB -0.159 63.053 63.200 0.019 0.000 0.807 146 S HN 0.499 nan 8.310 nan 0.000 0.497 147 V N 3.030 122.959 119.914 0.025 0.000 2.387 147 V HA 0.565 4.685 4.120 -0.001 0.000 0.260 147 V C 1.370 177.478 176.094 0.023 0.000 1.054 147 V CA 0.183 62.499 62.300 0.027 0.000 0.967 147 V CB 0.120 31.966 31.823 0.039 0.000 1.036 147 V HN 0.536 nan 8.190 nan 0.000 0.481 148 A N 3.884 126.715 122.820 0.018 0.000 2.072 148 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 148 A C 1.920 179.520 177.584 0.026 0.000 1.156 148 A CA 1.046 53.096 52.037 0.020 0.000 0.701 148 A CB -0.063 18.948 19.000 0.017 0.000 0.816 148 A HN 0.860 nan 8.150 nan 0.000 0.458 149 S N -0.465 115.251 115.700 0.026 0.000 2.685 149 S HA 0.427 4.897 4.470 -0.001 0.000 0.240 149 S C 0.634 175.254 174.600 0.034 0.000 0.967 149 S CA 0.084 58.301 58.200 0.028 0.000 1.009 149 S CB -0.191 63.022 63.200 0.023 0.000 0.776 149 S HN 0.617 nan 8.310 nan 0.000 0.467 150 G N 0.291 109.114 108.800 0.038 0.000 2.557 150 G HA2 0.487 4.446 3.960 -0.001 0.000 0.310 150 G HA3 0.487 4.446 3.960 -0.001 0.000 0.310 150 G C 0.306 175.237 174.900 0.050 0.000 1.328 150 G CA -0.524 44.602 45.100 0.044 0.000 0.945 150 G HN 0.197 nan 8.290 nan 0.000 0.494 151 T N 1.689 116.278 114.554 0.059 0.000 2.684 151 T HA -0.024 4.325 4.350 -0.001 0.000 0.253 151 T C 0.867 175.619 174.700 0.085 0.000 1.057 151 T CA 0.612 62.758 62.100 0.076 0.000 1.162 151 T CB -0.043 68.873 68.868 0.080 0.000 0.868 151 T HN 0.415 nan 8.240 nan 0.000 0.409 152 N N 2.144 120.898 118.700 0.091 0.000 2.527 152 N HA 0.475 5.214 4.740 -0.001 0.000 0.236 152 N C -1.320 174.208 175.510 0.030 0.000 0.999 152 N CA -0.043 53.060 53.050 0.089 0.000 0.935 152 N CB 1.243 39.843 38.487 0.188 0.000 1.132 152 N HN 0.307 nan 8.380 nan 0.000 0.511 153 L N 1.175 122.385 121.223 -0.022 0.000 2.386 153 L HA 0.467 4.807 4.340 -0.001 0.000 0.271 153 L C 0.062 176.921 176.870 -0.018 0.000 0.993 153 L CA -1.161 53.680 54.840 0.002 0.000 0.819 153 L CB 2.386 44.461 42.059 0.026 0.000 1.294 153 L HN 0.018 nan 8.230 nan 0.000 0.414 154 V N 4.493 124.409 119.914 0.003 0.000 2.415 154 V HA 0.059 4.179 4.120 -0.001 0.000 0.267 154 V C 1.249 177.370 176.094 0.046 0.000 1.042 154 V CA 0.105 62.409 62.300 0.008 0.000 1.000 154 V CB 0.769 32.577 31.823 -0.024 0.000 1.015 154 V HN 0.673 nan 8.190 nan 0.000 0.478 155 L N 4.852 126.125 121.223 0.083 0.000 2.270 155 L HA 0.169 4.509 4.340 -0.001 0.000 0.210 155 L C 0.316 177.328 176.870 0.237 0.000 1.104 155 L CA 0.988 55.912 54.840 0.140 0.000 0.804 155 L CB -0.057 42.093 42.059 0.151 0.000 0.937 155 L HN 0.661 nan 8.230 nan 0.000 0.450 156 Y N -0.262 120.080 120.300 0.071 0.000 2.357 156 Y HA 0.570 5.120 4.550 -0.001 0.000 0.319 156 Y C -1.239 174.716 175.900 0.091 0.000 1.225 156 Y CA -1.003 57.149 58.100 0.086 0.000 1.095 156 Y CB 0.912 39.452 38.460 0.134 0.000 1.302 156 Y HN -0.129 nan 8.280 nan 0.000 0.429 157 A N 3.660 126.188 122.820 -0.486 0.000 2.479 157 A HA 1.066 5.385 4.320 -0.001 0.000 0.296 157 A C -1.360 175.897 177.584 -0.545 0.000 1.121 157 A CA -0.304 51.548 52.037 -0.309 0.000 0.743 157 A CB 1.644 20.510 19.000 -0.223 0.000 1.323 157 A HN 1.868 nan 8.150 nan 0.000 0.415 158 A N 0.780 123.489 122.820 -0.186 0.000 2.599 158 A HA 0.647 4.966 4.320 -0.001 0.000 0.306 158 A C -3.422 174.215 177.584 0.088 0.000 1.014 158 A CA -0.746 51.234 52.037 -0.094 0.000 0.784 158 A CB 0.739 19.674 19.000 -0.109 0.000 1.229 158 A HN 0.635 nan 8.150 nan 0.000 0.398 159 P HA 0.374 nan 4.420 nan 0.000 0.279 159 P C -0.383 177.042 177.300 0.210 0.000 1.239 159 P CA -0.240 62.958 63.100 0.165 0.000 0.789 159 P CB 0.897 32.692 31.700 0.158 0.000 0.933 160 L N 3.996 125.387 121.223 0.280 0.000 2.530 160 L HA 0.167 4.507 4.340 -0.001 0.000 0.273 160 L C 0.867 177.879 176.870 0.237 0.000 1.141 160 L CA 0.597 55.608 54.840 0.285 0.000 0.905 160 L CB -0.566 41.725 42.059 0.386 0.000 1.202 160 L HN 0.579 nan 8.230 nan 0.000 0.473 161 N N 5.843 124.591 118.700 0.080 0.000 2.555 161 N HA 0.188 4.928 4.740 -0.001 0.000 0.265 161 N C -2.552 172.823 175.510 -0.225 0.000 1.135 161 N CA -1.121 51.866 53.050 -0.104 0.000 0.925 161 N CB 2.582 41.089 38.487 0.034 0.000 1.662 161 N HN 0.076 nan 8.380 nan 0.000 0.489 162 P HA -0.033 nan 4.420 nan 0.000 0.231 162 P C 0.369 177.607 177.300 -0.104 0.000 1.154 162 P CA 0.812 63.761 63.100 -0.251 0.000 0.762 162 P CB 0.167 31.700 31.700 -0.278 0.000 0.790 163 L N -0.667 120.491 121.223 -0.107 0.000 3.141 163 L HA 0.245 4.584 4.340 -0.001 0.000 0.263 163 L C 0.298 177.162 176.870 -0.009 0.000 1.312 163 L CA -0.989 53.811 54.840 -0.068 0.000 1.012 163 L CB 0.128 42.113 42.059 -0.123 0.000 1.408 163 L HN -0.152 nan 8.230 nan 0.000 0.559 164 L N 4.154 125.399 121.223 0.037 0.000 2.530 164 L HA 0.173 4.512 4.340 -0.001 0.000 0.273 164 L C -1.727 175.196 176.870 0.088 0.000 1.141 164 L CA -1.379 53.456 54.840 -0.009 0.000 0.905 164 L CB 0.083 42.004 42.059 -0.231 0.000 1.202 164 L HN 0.004 nan 8.230 nan 0.000 0.473 165 P HA 0.081 nan 4.420 nan 0.000 0.271 165 P C 0.363 177.757 177.300 0.158 0.000 1.380 165 P CA 0.102 63.248 63.100 0.077 0.000 0.992 165 P CB 0.414 32.131 31.700 0.028 0.000 1.230 166 L N 0.959 122.249 121.223 0.112 0.000 2.362 166 L HA 0.123 4.462 4.340 -0.001 0.000 0.204 166 L C 1.610 178.516 176.870 0.061 0.000 1.060 166 L CA 0.327 55.197 54.840 0.050 0.000 0.827 166 L CB -0.553 41.486 42.059 -0.034 0.000 1.027 166 L HN 0.235 nan 8.230 nan 0.000 0.474 167 Q N 0.394 120.242 119.800 0.080 0.000 2.584 167 Q HA -0.044 4.296 4.340 -0.001 0.000 0.218 167 Q C 0.610 176.664 176.000 0.089 0.000 1.079 167 Q CA 0.628 56.474 55.803 0.071 0.000 1.008 167 Q CB 0.608 29.385 28.738 0.065 0.000 1.267 167 Q HN 0.048 nan 8.270 nan 0.000 0.586 168 D N -0.443 120.014 120.400 0.095 0.000 2.255 168 D HA 0.080 4.720 4.640 -0.001 0.000 0.224 168 D C 0.792 177.216 176.300 0.207 0.000 0.997 168 D CA 1.080 55.160 54.000 0.133 0.000 0.906 168 D CB -0.369 40.494 40.800 0.105 0.000 1.047 168 D HN 0.632 nan 8.370 nan 0.000 0.458 169 G N -0.224 108.698 108.800 0.202 0.000 2.597 169 G HA2 0.025 3.985 3.960 -0.001 0.000 0.194 169 G HA3 0.025 3.985 3.960 -0.001 0.000 0.194 169 G C -0.159 174.924 174.900 0.306 0.000 1.625 169 G CA 0.234 45.554 45.100 0.367 0.000 1.050 169 G HN 0.137 nan 8.290 nan 0.000 0.531 170 T N 1.796 116.491 114.554 0.234 0.000 2.947 170 T HA 0.413 4.763 4.350 -0.001 0.000 0.337 170 T C -0.185 174.521 174.700 0.009 0.000 1.139 170 T CA -0.433 61.689 62.100 0.037 0.000 0.992 170 T CB 0.077 68.954 68.868 0.015 0.000 1.043 170 T HN 0.377 nan 8.240 nan 0.000 0.498 171 N N 1.219 119.908 118.700 -0.018 0.000 3.100 171 N HA 0.629 5.369 4.740 -0.001 0.000 0.344 171 N C -0.494 174.958 175.510 -0.096 0.000 1.413 171 N CA -0.653 52.379 53.050 -0.031 0.000 0.752 171 N CB 1.938 40.428 38.487 0.005 0.000 1.519 171 N HN 0.445 nan 8.380 nan 0.000 0.620 172 T N -0.595 113.899 114.554 -0.100 0.000 2.889 172 T HA 0.474 4.823 4.350 -0.001 0.000 0.315 172 T C -1.887 172.739 174.700 -0.124 0.000 1.291 172 T CA -0.600 61.380 62.100 -0.199 0.000 1.028 172 T CB 0.784 69.557 68.868 -0.158 0.000 1.235 172 T HN 0.728 nan 8.240 nan 0.000 0.491 173 H N 3.133 122.168 119.070 -0.059 0.000 2.894 173 H HA 0.590 5.145 4.556 -0.001 0.000 0.368 173 H C 1.337 176.627 175.328 -0.063 0.000 1.181 173 H CA -1.211 54.806 56.048 -0.051 0.000 1.146 173 H CB 0.259 29.982 29.762 -0.066 0.000 1.839 173 H HN 0.345 nan 8.280 nan 0.000 0.557 174 I N -0.293 120.389 120.570 0.187 0.000 2.151 174 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 174 I C 2.409 178.572 176.117 0.077 0.000 1.080 174 I CA 1.770 63.160 61.300 0.149 0.000 1.339 174 I CB -1.425 36.719 38.000 0.240 0.000 1.039 174 I HN 0.827 nan 8.210 nan 0.000 0.409 175 M N 1.222 120.747 119.600 -0.125 0.000 2.082 175 M HA -0.247 4.233 4.480 -0.001 0.000 0.258 175 M C 2.497 178.720 176.300 -0.128 0.000 1.071 175 M CA 2.853 57.813 55.300 -0.566 0.000 1.103 175 M CB -0.164 31.920 32.600 -0.859 0.000 1.307 175 M HN 0.307 nan 8.290 nan 0.000 0.409 176 A N -0.245 122.625 122.820 0.083 0.000 1.865 176 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 176 A C 2.079 179.569 177.584 -0.156 0.000 1.191 176 A CA 2.525 54.476 52.037 -0.144 0.000 0.623 176 A CB -1.501 17.246 19.000 -0.421 0.000 0.826 176 A HN 0.637 nan 8.150 nan 0.000 0.444 177 T N 0.312 114.794 114.554 -0.119 0.000 2.653 177 T HA -0.216 4.134 4.350 -0.001 0.000 0.268 177 T C 1.750 176.415 174.700 -0.059 0.000 1.035 177 T CA 1.959 64.010 62.100 -0.081 0.000 1.154 177 T CB -0.376 68.475 68.868 -0.029 0.000 0.862 177 T HN 0.696 nan 8.240 nan 0.000 0.441 178 E N 0.967 121.165 120.200 -0.003 0.000 2.051 178 E HA 0.081 4.430 4.350 -0.001 0.000 0.189 178 E C 2.654 179.187 176.600 -0.112 0.000 0.979 178 E CA 0.817 57.254 56.400 0.062 0.000 0.803 178 E CB -0.235 29.635 29.700 0.284 0.000 0.761 178 E HN 0.480 nan 8.360 nan 0.000 0.451 179 A N 2.023 124.607 122.820 -0.393 0.000 1.972 179 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 179 A C 2.317 179.667 177.584 -0.391 0.000 1.169 179 A CA 1.667 53.184 52.037 -0.868 0.000 0.635 179 A CB -0.695 17.860 19.000 -0.741 0.000 0.810 179 A HN 0.306 nan 8.150 nan 0.000 0.446 180 S N 0.031 115.574 115.700 -0.262 0.000 2.528 180 S HA -0.159 4.311 4.470 -0.001 0.000 0.244 180 S C 0.789 175.248 174.600 -0.235 0.000 0.982 180 S CA 1.424 59.500 58.200 -0.206 0.000 0.953 180 S CB -0.814 62.284 63.200 -0.170 0.000 0.754 180 S HN 0.713 nan 8.310 nan 0.000 0.529 181 N N -0.304 118.181 118.700 -0.359 0.000 2.238 181 N HA 0.319 5.059 4.740 -0.001 0.000 0.222 181 N C -1.083 173.918 175.510 -0.848 0.000 1.133 181 N CA -0.253 52.459 53.050 -0.565 0.000 0.854 181 N CB 0.413 38.501 38.487 -0.665 0.000 1.041 181 N HN 0.440 nan 8.380 nan 0.000 0.510 182 Y N -1.238 118.995 120.300 -0.111 0.000 2.545 182 Y HA 0.571 5.120 4.550 -0.001 0.000 0.348 182 Y C 0.708 176.615 175.900 0.012 0.000 1.002 182 Y CA -1.180 56.905 58.100 -0.025 0.000 1.039 182 Y CB 1.594 40.071 38.460 0.028 0.000 1.271 182 Y HN -0.140 nan 8.280 nan 0.000 0.467 183 A N 0.727 123.672 122.820 0.209 0.000 1.975 183 A HA 0.079 4.399 4.320 -0.001 0.000 0.215 183 A C 0.400 178.102 177.584 0.196 0.000 1.170 183 A CA 0.880 53.001 52.037 0.141 0.000 0.656 183 A CB 0.054 19.103 19.000 0.082 0.000 0.821 183 A HN 0.757 nan 8.150 nan 0.000 0.449 184 Q N -1.102 118.859 119.800 0.268 0.000 2.356 184 Q HA 0.560 4.899 4.340 -0.001 0.000 0.270 184 Q C -1.570 174.762 176.000 0.554 0.000 1.058 184 Q CA -0.836 55.160 55.803 0.323 0.000 0.802 184 Q CB 2.087 30.920 28.738 0.159 0.000 1.303 184 Q HN 0.588 nan 8.270 nan 0.000 0.444 185 Y N -0.074 120.504 120.300 0.464 0.000 2.633 185 Y HA 0.813 5.362 4.550 -0.001 0.000 0.339 185 Y C -1.329 174.688 175.900 0.196 0.000 1.045 185 Y CA -1.250 57.124 58.100 0.456 0.000 1.098 185 Y CB 1.679 40.441 38.460 0.504 0.000 1.296 185 Y HN 0.553 nan 8.280 nan 0.000 0.494 186 R N 1.899 122.394 120.500 -0.010 0.000 2.522 186 R HA 0.551 4.891 4.340 -0.001 0.000 0.273 186 R C -2.439 173.729 176.300 -0.221 0.000 1.133 186 R CA -0.721 55.110 56.100 -0.448 0.000 0.969 186 R CB 2.099 31.709 30.300 -1.150 0.000 1.235 186 R HN 0.761 nan 8.270 nan 0.000 0.433 187 V N 5.545 125.353 119.914 -0.177 0.000 2.353 187 V HA 0.112 4.232 4.120 -0.001 0.000 0.264 187 V C 1.304 177.278 176.094 -0.201 0.000 1.049 187 V CA -0.301 61.947 62.300 -0.086 0.000 0.896 187 V CB 1.059 32.896 31.823 0.023 0.000 1.025 187 V HN 0.676 nan 8.190 nan 0.000 0.475 188 V N 4.922 124.758 119.914 -0.130 0.000 2.302 188 V HA 0.045 4.164 4.120 -0.001 0.000 0.243 188 V C 1.107 177.228 176.094 0.044 0.000 1.036 188 V CA 1.473 63.753 62.300 -0.033 0.000 1.020 188 V CB -0.303 31.487 31.823 -0.054 0.000 0.657 188 V HN 0.788 nan 8.190 nan 0.000 0.453 189 R N -0.958 119.541 120.500 -0.001 0.000 2.795 189 R HA 0.773 5.112 4.340 -0.001 0.000 0.275 189 R C -1.121 175.175 176.300 -0.006 0.000 0.981 189 R CA -0.154 55.944 56.100 -0.003 0.000 0.917 189 R CB 2.247 32.536 30.300 -0.019 0.000 1.202 189 R HN 0.317 nan 8.270 nan 0.000 0.469 190 A N 0.955 123.757 122.820 -0.029 0.000 2.465 190 A HA 0.598 4.918 4.320 -0.001 0.000 0.292 190 A C -1.213 176.330 177.584 -0.068 0.000 1.041 190 A CA -0.620 51.399 52.037 -0.031 0.000 0.718 190 A CB 1.978 20.943 19.000 -0.058 0.000 1.266 190 A HN 0.546 nan 8.150 nan 0.000 0.403 191 T N 3.805 118.327 114.554 -0.053 0.000 3.050 191 T HA 0.430 4.780 4.350 -0.001 0.000 0.310 191 T C -0.573 174.059 174.700 -0.113 0.000 0.978 191 T CA -0.329 61.725 62.100 -0.078 0.000 1.013 191 T CB 0.458 69.293 68.868 -0.054 0.000 1.000 191 T HN 0.485 nan 8.240 nan 0.000 0.447 192 I N 4.275 124.746 120.570 -0.166 0.000 2.353 192 I HA 0.525 4.695 4.170 -0.001 0.000 0.293 192 I C 0.625 176.645 176.117 -0.162 0.000 0.992 192 I CA -0.784 60.346 61.300 -0.284 0.000 1.268 192 I CB 0.965 38.751 38.000 -0.356 0.000 1.387 192 I HN 0.669 nan 8.210 nan 0.000 0.478 193 R N 4.984 125.400 120.500 -0.139 0.000 2.854 193 R HA 0.588 4.927 4.340 -0.001 0.000 0.271 193 R C -1.757 174.558 176.300 0.024 0.000 0.994 193 R CA -0.948 55.130 56.100 -0.036 0.000 0.945 193 R CB 2.022 32.306 30.300 -0.027 0.000 1.194 193 R HN 0.488 nan 8.270 nan 0.000 0.476 194 Y N 1.211 121.479 120.300 -0.053 0.000 2.328 194 Y HA 0.442 4.991 4.550 -0.001 0.000 0.333 194 Y C -0.958 174.938 175.900 -0.006 0.000 0.958 194 Y CA -0.896 57.189 58.100 -0.025 0.000 1.167 194 Y CB 1.622 40.078 38.460 -0.006 0.000 1.151 194 Y HN 0.546 nan 8.280 nan 0.000 0.470 195 R N 8.192 128.430 120.500 -0.436 0.000 2.215 195 R HA 0.352 4.692 4.340 -0.001 0.000 0.336 195 R C -2.676 173.287 176.300 -0.562 0.000 0.996 195 R CA -1.928 53.969 56.100 -0.339 0.000 0.847 195 R CB 0.935 31.125 30.300 -0.183 0.000 1.127 195 R HN 0.477 nan 8.270 nan 0.000 0.465 196 P HA 0.088 nan 4.420 nan 0.000 0.278 196 P C -0.147 177.111 177.300 -0.071 0.000 1.238 196 P CA -0.155 62.828 63.100 -0.194 0.000 0.794 196 P CB 1.292 33.062 31.700 0.117 0.000 0.955 197 L N 1.300 122.519 121.223 -0.008 0.000 2.577 197 L HA 0.136 4.475 4.340 -0.001 0.000 0.225 197 L C 0.855 177.776 176.870 0.084 0.000 1.053 197 L CA -0.034 54.824 54.840 0.031 0.000 0.866 197 L CB -0.120 41.959 42.059 0.032 0.000 1.132 197 L HN 0.070 nan 8.230 nan 0.000 0.486 198 V N 2.924 122.914 119.914 0.127 0.000 2.843 198 V HA -0.025 4.095 4.120 -0.001 0.000 0.305 198 V C -1.727 174.392 176.094 0.040 0.000 1.120 198 V CA -0.628 61.730 62.300 0.096 0.000 1.254 198 V CB -0.390 31.486 31.823 0.088 0.000 0.901 198 V HN 0.155 nan 8.190 nan 0.000 0.503 199 P HA 0.207 nan 4.420 nan 0.000 0.285 199 P C 0.725 178.021 177.300 -0.007 0.000 1.259 199 P CA -0.566 62.543 63.100 0.016 0.000 0.794 199 P CB 0.716 32.444 31.700 0.046 0.000 0.940 200 N N 3.315 122.026 118.700 0.019 0.000 2.231 200 N HA -0.296 4.443 4.740 -0.001 0.000 0.199 200 N C 1.060 176.552 175.510 -0.030 0.000 0.965 200 N CA 2.363 55.419 53.050 0.009 0.000 0.919 200 N CB -1.454 37.046 38.487 0.022 0.000 1.067 200 N HN 0.486 nan 8.380 nan 0.000 0.583 201 A N 0.510 123.300 122.820 -0.050 0.000 2.236 201 A HA 0.365 4.685 4.320 -0.001 0.000 0.214 201 A C 0.174 177.621 177.584 -0.229 0.000 1.287 201 A CA -0.112 51.813 52.037 -0.185 0.000 0.909 201 A CB -0.359 18.428 19.000 -0.354 0.000 0.839 201 A HN 0.196 nan 8.150 nan 0.000 0.486 202 V N -0.767 119.050 119.914 -0.162 0.000 2.443 202 V HA 0.733 4.853 4.120 -0.001 0.000 0.293 202 V C 0.524 176.618 176.094 0.001 0.000 1.021 202 V CA -0.008 62.176 62.300 -0.192 0.000 0.848 202 V CB 1.033 32.585 31.823 -0.452 0.000 0.998 202 V HN 0.453 nan 8.190 nan 0.000 0.424 203 G N 1.908 110.737 108.800 0.048 0.000 3.058 203 G HA2 0.685 4.645 3.960 -0.001 0.000 0.282 203 G HA3 0.685 4.645 3.960 -0.001 0.000 0.282 203 G C 0.545 175.598 174.900 0.255 0.000 1.248 203 G CA -0.106 45.112 45.100 0.197 0.000 0.822 203 G HN 1.669 nan 8.290 nan 0.000 0.579 204 G N -1.904 107.019 108.800 0.205 0.000 2.141 204 G HA2 0.015 3.974 3.960 -0.001 0.000 0.242 204 G HA3 0.015 3.974 3.960 -0.001 0.000 0.242 204 G C 0.038 175.098 174.900 0.265 0.000 0.982 204 G CA 1.420 46.625 45.100 0.174 0.000 0.662 204 G HN 1.943 nan 8.290 nan 0.000 0.527 205 Y N -2.523 117.790 120.300 0.023 0.000 2.677 205 Y HA 0.846 5.396 4.550 -0.001 0.000 0.334 205 Y C -0.225 175.697 175.900 0.036 0.000 1.154 205 Y CA -1.124 56.999 58.100 0.039 0.000 1.070 205 Y CB 0.957 39.442 38.460 0.042 0.000 1.294 205 Y HN 1.056 nan 8.280 nan 0.000 0.475 206 A N 1.281 124.015 122.820 -0.143 0.000 2.572 206 A HA 0.798 5.118 4.320 -0.001 0.000 0.295 206 A C -1.887 175.657 177.584 -0.068 0.000 1.072 206 A CA -0.840 51.068 52.037 -0.214 0.000 0.691 206 A CB 1.432 20.409 19.000 -0.039 0.000 1.291 206 A HN 0.719 nan 8.150 nan 0.000 0.404 207 I N 1.429 121.901 120.570 -0.162 0.000 2.509 207 I HA 0.545 4.715 4.170 -0.001 0.000 0.293 207 I C 0.252 176.318 176.117 -0.085 0.000 1.020 207 I CA -0.422 60.778 61.300 -0.167 0.000 1.088 207 I CB 2.464 40.183 38.000 -0.469 0.000 1.267 207 I HN 0.698 nan 8.210 nan 0.000 0.430 208 S N 6.428 122.137 115.700 0.014 0.000 2.521 208 S HA 0.743 5.213 4.470 -0.001 0.000 0.295 208 S C -0.850 173.790 174.600 0.067 0.000 1.098 208 S CA -0.723 57.528 58.200 0.085 0.000 0.999 208 S CB 1.474 64.845 63.200 0.285 0.000 1.034 208 S HN 0.461 nan 8.310 nan 0.000 0.483 209 I N 3.258 123.858 120.570 0.050 0.000 2.382 209 I HA 0.425 4.595 4.170 -0.001 0.000 0.286 209 I C -0.306 175.864 176.117 0.089 0.000 1.002 209 I CA -0.486 60.860 61.300 0.077 0.000 1.135 209 I CB 1.883 39.904 38.000 0.036 0.000 1.288 209 I HN 0.850 nan 8.210 nan 0.000 0.448 210 S N 5.580 121.377 115.700 0.161 0.000 2.526 210 S HA 0.628 5.098 4.470 -0.001 0.000 0.293 210 S C -0.936 173.732 174.600 0.112 0.000 1.092 210 S CA -0.734 57.521 58.200 0.092 0.000 0.980 210 S CB 2.326 65.641 63.200 0.192 0.000 1.048 210 S HN 0.420 nan 8.310 nan 0.000 0.483 211 F N 2.230 122.010 119.950 -0.283 0.000 2.444 211 F HA 0.731 5.258 4.527 -0.001 0.000 0.342 211 F C -1.881 173.656 175.800 -0.439 0.000 1.121 211 F CA -1.137 56.758 58.000 -0.174 0.000 0.997 211 F CB 0.937 39.880 39.000 -0.095 0.000 1.130 211 F HN 0.700 nan 8.300 nan 0.000 0.454 212 W N 8.428 129.189 121.300 -0.898 0.000 2.393 212 W HA 0.406 5.066 4.660 -0.001 0.000 0.315 212 W C -1.999 174.023 176.519 -0.828 0.000 1.009 212 W CA -1.955 55.007 57.345 -0.640 0.000 1.313 212 W CB 0.914 30.182 29.460 -0.320 0.000 1.269 212 W HN 0.368 nan 8.180 nan 0.000 0.420 213 P HA -0.177 nan 4.420 nan 0.000 0.220 213 P C 0.458 177.780 177.300 0.036 0.000 1.148 213 P CA 1.332 64.349 63.100 -0.139 0.000 0.803 213 P CB 0.617 32.279 31.700 -0.062 0.000 0.782 214 Q N 0.625 120.446 119.800 0.035 0.000 2.835 214 Q HA 0.121 4.460 4.340 -0.001 0.000 0.235 214 Q C 0.974 176.994 176.000 0.033 0.000 1.313 214 Q CA 0.138 55.981 55.803 0.067 0.000 1.053 214 Q CB -0.054 28.725 28.738 0.067 0.000 1.443 214 Q HN 0.214 nan 8.270 nan 0.000 0.576 215 T N -2.304 112.267 114.554 0.029 0.000 2.849 215 T HA -0.152 4.198 4.350 -0.001 0.000 0.270 215 T C 1.687 176.371 174.700 -0.026 0.000 1.066 215 T CA 1.725 63.822 62.100 -0.004 0.000 1.130 215 T CB 0.060 68.939 68.868 0.017 0.000 0.864 215 T HN 0.326 nan 8.240 nan 0.000 0.481 216 T N 2.127 116.673 114.554 -0.012 0.000 2.580 216 T HA -0.079 4.270 4.350 -0.001 0.000 0.265 216 T C 0.999 175.676 174.700 -0.039 0.000 1.063 216 T CA 1.477 63.562 62.100 -0.025 0.000 1.170 216 T CB -0.673 68.191 68.868 -0.006 0.000 0.863 216 T HN 0.445 nan 8.240 nan 0.000 0.418 217 T N 3.273 117.803 114.554 -0.040 0.000 2.739 217 T HA 0.266 4.616 4.350 -0.001 0.000 0.298 217 T C -0.022 174.592 174.700 -0.144 0.000 0.929 217 T CA -0.170 61.889 62.100 -0.069 0.000 1.014 217 T CB 0.623 69.470 68.868 -0.034 0.000 0.914 217 T HN 0.126 nan 8.240 nan 0.000 0.509 218 T N 7.535 121.971 114.554 -0.197 0.000 2.799 218 T HA 0.196 4.545 4.350 -0.001 0.000 0.296 218 T C -1.879 172.569 174.700 -0.420 0.000 0.947 218 T CA -1.029 60.873 62.100 -0.328 0.000 1.141 218 T CB 0.217 68.883 68.868 -0.335 0.000 0.891 218 T HN 0.415 nan 8.240 nan 0.000 0.533 219 P HA -0.086 nan 4.420 nan 0.000 0.262 219 P C 0.938 178.000 177.300 -0.396 0.000 1.151 219 P CA 0.324 62.977 63.100 -0.745 0.000 0.757 219 P CB 0.409 31.292 31.700 -1.361 0.000 0.754 220 T N 1.750 116.161 114.554 -0.238 0.000 2.474 220 T HA -0.096 4.254 4.350 -0.001 0.000 0.254 220 T C 1.072 175.693 174.700 -0.131 0.000 1.191 220 T CA 1.813 63.828 62.100 -0.143 0.000 1.231 220 T CB -0.536 68.292 68.868 -0.067 0.000 0.865 220 T HN 0.761 nan 8.240 nan 0.000 0.398 221 S N 0.010 115.663 115.700 -0.078 0.000 2.681 221 S HA 0.535 5.005 4.470 -0.001 0.000 0.299 221 S C -0.114 174.470 174.600 -0.027 0.000 1.113 221 S CA -0.973 57.201 58.200 -0.043 0.000 1.013 221 S CB 2.057 65.256 63.200 -0.001 0.000 1.076 221 S HN 0.118 nan 8.310 nan 0.000 0.534 222 V N 1.716 121.638 119.914 0.013 0.000 2.915 222 V HA 0.223 4.343 4.120 -0.001 0.000 0.364 222 V C 0.457 176.653 176.094 0.170 0.000 1.354 222 V CA -0.439 61.907 62.300 0.077 0.000 1.213 222 V CB -1.249 30.596 31.823 0.038 0.000 1.268 222 V HN 0.974 nan 8.190 nan 0.000 0.557 223 D N -0.549 119.923 120.400 0.119 0.000 2.447 223 D HA 0.139 4.778 4.640 -0.001 0.000 0.265 223 D C 1.298 177.602 176.300 0.007 0.000 1.250 223 D CA -0.585 53.488 54.000 0.121 0.000 1.046 223 D CB 1.433 42.271 40.800 0.064 0.000 1.095 223 D HN 0.016 nan 8.370 nan 0.000 0.555 224 M N 0.742 120.251 119.600 -0.151 0.000 2.944 224 M HA -0.218 4.262 4.480 -0.001 0.000 0.281 224 M C 1.732 177.931 176.300 -0.168 0.000 1.066 224 M CA 1.717 56.798 55.300 -0.365 0.000 1.072 224 M CB -0.879 31.564 32.600 -0.261 0.000 1.199 224 M HN 0.355 nan 8.290 nan 0.000 0.535 225 N N 0.137 118.781 118.700 -0.094 0.000 2.133 225 N HA -0.185 4.554 4.740 -0.001 0.000 0.193 225 N C 1.665 177.165 175.510 -0.018 0.000 1.012 225 N CA 2.056 55.075 53.050 -0.050 0.000 0.871 225 N CB -0.720 37.749 38.487 -0.031 0.000 1.011 225 N HN 0.676 nan 8.380 nan 0.000 0.435 226 S N 0.224 115.928 115.700 0.007 0.000 2.453 226 S HA 0.075 4.545 4.470 -0.001 0.000 0.231 226 S C 1.971 176.623 174.600 0.087 0.000 1.005 226 S CA 0.255 58.483 58.200 0.048 0.000 0.949 226 S CB -0.180 63.056 63.200 0.060 0.000 0.774 226 S HN 0.252 nan 8.310 nan 0.000 0.510 227 I N 1.733 122.345 120.570 0.069 0.000 2.585 227 I HA -0.075 4.094 4.170 -0.001 0.000 0.254 227 I C 2.151 178.271 176.117 0.006 0.000 1.129 227 I CA 1.102 62.464 61.300 0.102 0.000 1.455 227 I CB -0.600 37.481 38.000 0.134 0.000 1.111 227 I HN 0.321 nan 8.210 nan 0.000 0.433 228 T N -0.074 114.459 114.554 -0.036 0.000 2.897 228 T HA -0.105 4.245 4.350 -0.001 0.000 0.271 228 T C 1.348 176.020 174.700 -0.047 0.000 1.084 228 T CA 1.059 63.126 62.100 -0.054 0.000 1.123 228 T CB -0.162 68.666 68.868 -0.066 0.000 0.865 228 T HN 0.132 nan 8.240 nan 0.000 0.496 229 S N 1.257 116.937 115.700 -0.033 0.000 2.506 229 S HA 0.287 4.756 4.470 -0.001 0.000 0.245 229 S C 0.122 174.693 174.600 -0.048 0.000 1.088 229 S CA -0.489 57.690 58.200 -0.035 0.000 1.099 229 S CB 0.315 63.504 63.200 -0.019 0.000 0.805 229 S HN 0.366 nan 8.310 nan 0.000 0.461 230 T N 2.578 117.078 114.554 -0.091 0.000 2.942 230 T HA 0.311 4.660 4.350 -0.001 0.000 0.289 230 T C -0.634 173.948 174.700 -0.196 0.000 1.044 230 T CA -0.997 61.001 62.100 -0.170 0.000 1.023 230 T CB 1.166 69.825 68.868 -0.348 0.000 1.123 230 T HN 0.371 nan 8.240 nan 0.000 0.512 231 D N 0.683 120.954 120.400 -0.215 0.000 2.382 231 D HA 0.196 4.836 4.640 -0.001 0.000 0.245 231 D C -0.019 176.160 176.300 -0.200 0.000 1.120 231 D CA -0.388 53.510 54.000 -0.170 0.000 0.890 231 D CB 0.634 41.355 40.800 -0.132 0.000 1.201 231 D HN 0.429 nan 8.370 nan 0.000 0.433 232 V N 1.694 121.532 119.914 -0.126 0.000 5.198 232 V HA -0.244 3.876 4.120 -0.001 0.000 0.348 232 V C -0.048 175.979 176.094 -0.112 0.000 0.661 232 V CA 0.966 63.211 62.300 -0.091 0.000 1.358 232 V CB -1.858 29.962 31.823 -0.005 0.000 1.628 232 V HN 1.164 nan 8.190 nan 0.000 0.466 233 R N 2.664 123.108 120.500 -0.094 0.000 2.709 233 R HA 0.845 5.185 4.340 -0.001 0.000 0.270 233 R C -1.972 174.297 176.300 -0.051 0.000 1.038 233 R CA -0.988 55.068 56.100 -0.073 0.000 0.872 233 R CB 1.726 31.963 30.300 -0.105 0.000 1.259 233 R HN 0.746 nan 8.270 nan 0.000 0.473 234 I N 1.131 121.683 120.570 -0.031 0.000 2.619 234 I HA 0.534 4.703 4.170 -0.001 0.000 0.292 234 I C -1.578 174.520 176.117 -0.030 0.000 1.100 234 I CA -1.204 60.076 61.300 -0.034 0.000 1.043 234 I CB 2.059 40.039 38.000 -0.032 0.000 1.239 234 I HN 0.683 nan 8.210 nan 0.000 0.420 235 L N 7.558 128.756 121.223 -0.041 0.000 2.322 235 L HA 0.773 5.112 4.340 -0.001 0.000 0.281 235 L C -1.070 175.759 176.870 -0.068 0.000 1.014 235 L CA -0.690 54.121 54.840 -0.048 0.000 0.815 235 L CB 1.696 43.724 42.059 -0.052 0.000 1.247 235 L HN 0.472 nan 8.230 nan 0.000 0.421 236 V N 2.777 122.630 119.914 -0.102 0.000 3.113 236 V HA 0.510 4.630 4.120 -0.001 0.000 0.316 236 V C -0.539 175.459 176.094 -0.161 0.000 1.125 236 V CA -0.867 61.364 62.300 -0.115 0.000 1.026 236 V CB 2.005 33.756 31.823 -0.120 0.000 1.080 236 V HN 0.724 nan 8.190 nan 0.000 0.444 237 Q N 0.565 120.276 119.800 -0.149 0.000 2.286 237 Q HA 0.432 4.771 4.340 -0.001 0.000 0.250 237 Q C -1.890 173.952 176.000 -0.265 0.000 1.021 237 Q CA -1.438 54.241 55.803 -0.206 0.000 0.930 237 Q CB 0.930 29.591 28.738 -0.128 0.000 1.266 237 Q HN 0.423 nan 8.270 nan 0.000 0.491 238 P HA -0.292 nan 4.420 nan 0.000 0.216 238 P C 0.650 177.952 177.300 0.004 0.000 1.167 238 P CA 2.211 65.171 63.100 -0.233 0.000 0.933 238 P CB 0.010 31.673 31.700 -0.062 0.000 0.793 239 G N -1.227 107.579 108.800 0.011 0.000 2.447 239 G HA2 0.017 3.977 3.960 -0.001 0.000 0.211 239 G HA3 0.017 3.977 3.960 -0.001 0.000 0.211 239 G C 0.528 175.463 174.900 0.057 0.000 1.184 239 G CA -0.136 44.993 45.100 0.049 0.000 0.813 239 G HN 0.191 nan 8.290 nan 0.000 0.540 240 I N 1.746 122.331 120.570 0.026 0.000 3.156 240 I HA 0.011 4.180 4.170 -0.001 0.000 0.327 240 I C 0.540 176.702 176.117 0.075 0.000 1.194 240 I CA 0.336 61.653 61.300 0.029 0.000 1.473 240 I CB 0.440 38.440 38.000 0.000 0.000 1.294 240 I HN 0.198 nan 8.210 nan 0.000 0.548 241 A N 6.271 129.133 122.820 0.070 0.000 2.536 241 A HA 0.572 4.891 4.320 -0.001 0.000 0.329 241 A C 0.065 177.691 177.584 0.070 0.000 1.321 241 A CA -0.447 51.652 52.037 0.104 0.000 0.804 241 A CB 0.571 19.608 19.000 0.060 0.000 1.126 241 A HN 0.741 nan 8.150 nan 0.000 0.480 242 S N 1.392 117.138 115.700 0.077 0.000 2.768 242 S HA 0.866 5.335 4.470 -0.001 0.000 0.300 242 S C -0.241 174.381 174.600 0.037 0.000 1.122 242 S CA -0.444 57.777 58.200 0.036 0.000 0.995 242 S CB 1.128 64.334 63.200 0.010 0.000 1.195 242 S HN 0.843 nan 8.310 nan 0.000 0.547 243 E N -0.798 119.406 120.200 0.006 0.000 2.446 243 E HA 0.697 5.047 4.350 -0.001 0.000 0.276 243 E C -1.867 174.715 176.600 -0.029 0.000 0.969 243 E CA -1.115 55.278 56.400 -0.011 0.000 0.800 243 E CB 1.492 31.179 29.700 -0.022 0.000 1.341 243 E HN 0.465 nan 8.360 nan 0.000 0.460 244 L N 1.204 122.399 121.223 -0.046 0.000 2.381 244 L HA 0.401 4.740 4.340 -0.001 0.000 0.274 244 L C -1.523 175.299 176.870 -0.079 0.000 0.988 244 L CA -0.708 54.097 54.840 -0.058 0.000 0.824 244 L CB 1.964 43.993 42.059 -0.050 0.000 1.263 244 L HN 0.524 nan 8.230 nan 0.000 0.410 245 V N 4.261 124.126 119.914 -0.082 0.000 2.350 245 V HA 0.449 4.569 4.120 -0.001 0.000 0.276 245 V C 0.174 176.188 176.094 -0.133 0.000 1.028 245 V CA -0.691 61.552 62.300 -0.096 0.000 0.860 245 V CB 0.808 32.586 31.823 -0.075 0.000 0.990 245 V HN 0.561 nan 8.190 nan 0.000 0.453 246 I N 8.606 129.062 120.570 -0.191 0.000 2.421 246 I HA 0.251 4.420 4.170 -0.001 0.000 0.291 246 I C -1.521 174.476 176.117 -0.201 0.000 1.089 246 I CA -1.908 59.207 61.300 -0.308 0.000 1.354 246 I CB 0.260 37.928 38.000 -0.553 0.000 1.413 246 I HN 0.511 nan 8.210 nan 0.000 0.513 247 P HA 0.045 nan 4.420 nan 0.000 0.265 247 P C 0.513 177.781 177.300 -0.054 0.000 1.187 247 P CA 0.068 63.114 63.100 -0.090 0.000 0.766 247 P CB 0.660 32.316 31.700 -0.072 0.000 0.820 248 S N 2.105 117.780 115.700 -0.041 0.000 2.365 248 S HA -0.251 4.219 4.470 -0.001 0.000 0.225 248 S C 1.749 176.393 174.600 0.074 0.000 1.039 248 S CA 1.927 60.117 58.200 -0.017 0.000 1.033 248 S CB -0.732 62.355 63.200 -0.188 0.000 0.887 248 S HN 0.748 nan 8.310 nan 0.000 0.447 249 E N 2.246 122.454 120.200 0.014 0.000 2.108 249 E HA -0.266 4.083 4.350 -0.001 0.000 0.203 249 E C 1.872 178.565 176.600 0.154 0.000 1.022 249 E CA 1.644 58.082 56.400 0.064 0.000 0.823 249 E CB -0.279 29.429 29.700 0.014 0.000 0.744 249 E HN 0.259 nan 8.360 nan 0.000 0.456 250 R N -0.027 120.529 120.500 0.095 0.000 2.189 250 R HA 0.013 4.352 4.340 -0.001 0.000 0.223 250 R C 2.424 178.912 176.300 0.314 0.000 1.092 250 R CA 1.111 57.288 56.100 0.128 0.000 0.989 250 R CB -0.443 29.899 30.300 0.071 0.000 0.876 250 R HN 0.395 nan 8.270 nan 0.000 0.457 251 L N -0.743 120.636 121.223 0.260 0.000 2.253 251 L HA 0.009 4.348 4.340 -0.001 0.000 0.205 251 L C 1.218 178.121 176.870 0.055 0.000 1.078 251 L CA 0.904 55.841 54.840 0.162 0.000 0.805 251 L CB -0.274 41.786 42.059 0.003 0.000 0.963 251 L HN 0.169 nan 8.230 nan 0.000 0.459 252 H N -1.812 117.304 119.070 0.077 0.000 2.551 252 H HA -0.015 4.541 4.556 -0.001 0.000 0.271 252 H C 1.554 176.903 175.328 0.035 0.000 0.984 252 H CA -0.211 55.840 56.048 0.006 0.000 1.164 252 H CB -0.382 29.361 29.762 -0.031 0.000 1.437 252 H HN 0.378 nan 8.280 nan 0.000 0.550 253 Y N 0.756 121.129 120.300 0.123 0.000 2.569 253 Y HA -0.018 4.532 4.550 -0.001 0.000 0.293 253 Y C 0.739 176.681 175.900 0.071 0.000 1.144 253 Y CA 0.272 58.423 58.100 0.087 0.000 1.321 253 Y CB 0.110 38.618 38.460 0.079 0.000 0.982 253 Y HN -0.029 nan 8.280 nan 0.000 0.558 254 R N 1.706 121.812 120.500 -0.658 0.000 2.435 254 R HA 0.199 4.538 4.340 -0.001 0.000 0.308 254 R C -0.527 175.632 176.300 -0.236 0.000 0.975 254 R CA -0.495 55.249 56.100 -0.593 0.000 0.867 254 R CB 0.245 30.020 30.300 -0.875 0.000 1.171 254 R HN 0.362 nan 8.270 nan 0.000 0.470 255 N N 3.884 122.517 118.700 -0.111 0.000 2.716 255 N HA -0.249 4.490 4.740 -0.001 0.000 0.250 255 N C -0.663 174.893 175.510 0.078 0.000 1.033 255 N CA 1.552 54.603 53.050 0.001 0.000 0.727 255 N CB -0.914 37.579 38.487 0.009 0.000 0.950 255 N HN 0.923 nan 8.380 nan 0.000 0.541 256 Q N -2.423 117.408 119.800 0.051 0.000 2.461 256 Q HA -0.280 4.059 4.340 -0.001 0.000 0.264 256 Q C 1.019 176.956 176.000 -0.105 0.000 1.085 256 Q CA 1.297 57.150 55.803 0.082 0.000 1.006 256 Q CB -1.679 27.186 28.738 0.211 0.000 1.437 256 Q HN 0.895 nan 8.270 nan 0.000 0.514 257 G N -1.823 106.867 108.800 -0.183 0.000 2.162 257 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.260 257 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.260 257 G C -0.324 174.338 174.900 -0.397 0.000 0.976 257 G CA 0.136 45.009 45.100 -0.379 0.000 0.655 257 G HN 0.357 nan 8.290 nan 0.000 0.533 258 W N 1.026 122.199 121.300 -0.212 0.000 2.316 258 W HA 0.723 5.382 4.660 -0.001 0.000 0.311 258 W C 0.453 176.802 176.519 -0.285 0.000 1.217 258 W CA -0.145 57.059 57.345 -0.235 0.000 1.199 258 W CB 0.991 30.368 29.460 -0.137 0.000 1.202 258 W HN 0.031 nan 8.180 nan 0.000 0.528 259 R N 1.570 121.933 120.500 -0.229 0.000 2.867 259 R HA 0.295 4.635 4.340 -0.001 0.000 0.268 259 R C -0.516 175.703 176.300 -0.134 0.000 1.014 259 R CA -1.166 54.771 56.100 -0.271 0.000 0.946 259 R CB 1.294 31.311 30.300 -0.472 0.000 1.208 259 R HN 0.311 nan 8.270 nan 0.000 0.477 260 S N -0.143 115.584 115.700 0.044 0.000 2.523 260 S HA 0.156 4.626 4.470 -0.001 0.000 0.275 260 S C 1.280 176.074 174.600 0.324 0.000 1.281 260 S CA -0.589 57.701 58.200 0.150 0.000 1.050 260 S CB 0.658 63.913 63.200 0.092 0.000 0.937 260 S HN 0.309 nan 8.310 nan 0.000 0.492 261 V N 3.585 123.709 119.914 0.350 0.000 2.307 261 V HA -0.027 4.092 4.120 -0.001 0.000 0.245 261 V C 1.296 177.452 176.094 0.104 0.000 1.045 261 V CA 1.541 64.022 62.300 0.301 0.000 1.024 261 V CB -0.994 30.946 31.823 0.194 0.000 0.651 261 V HN 0.887 nan 8.190 nan 0.000 0.449 262 E N 1.159 121.393 120.200 0.056 0.000 2.414 262 E HA -0.024 4.325 4.350 -0.001 0.000 0.263 262 E C 0.996 177.574 176.600 -0.036 0.000 1.000 262 E CA 0.832 57.222 56.400 -0.017 0.000 0.914 262 E CB 0.942 30.632 29.700 -0.017 0.000 0.948 262 E HN 0.524 nan 8.360 nan 0.000 0.444 263 T N -0.229 114.247 114.554 -0.129 0.000 3.054 263 T HA 0.163 4.512 4.350 -0.001 0.000 0.255 263 T C 0.281 174.865 174.700 -0.194 0.000 1.035 263 T CA -0.266 61.702 62.100 -0.221 0.000 0.941 263 T CB 0.035 68.567 68.868 -0.559 0.000 1.026 263 T HN 0.309 nan 8.240 nan 0.000 0.533 264 T N 1.732 116.208 114.554 -0.130 0.000 2.845 264 T HA 0.547 4.896 4.350 -0.001 0.000 0.288 264 T C 1.226 175.892 174.700 -0.057 0.000 0.980 264 T CA 0.112 62.155 62.100 -0.095 0.000 1.071 264 T CB 0.969 69.784 68.868 -0.088 0.000 0.941 264 T HN 0.587 nan 8.240 nan 0.000 0.487 265 G N 1.317 110.089 108.800 -0.047 0.000 2.176 265 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.252 265 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.252 265 G C 0.065 174.952 174.900 -0.021 0.000 1.024 265 G CA 0.165 45.244 45.100 -0.035 0.000 0.755 265 G HN 1.567 nan 8.290 nan 0.000 0.507 266 V N -4.399 115.509 119.914 -0.010 0.000 2.969 266 V HA 0.920 5.039 4.120 -0.001 0.000 0.304 266 V C 0.405 176.514 176.094 0.024 0.000 1.192 266 V CA -0.766 61.538 62.300 0.006 0.000 0.962 266 V CB 1.036 32.868 31.823 0.015 0.000 1.045 266 V HN 1.914 nan 8.190 nan 0.000 0.428 267 A N 1.495 124.325 122.820 0.017 0.000 2.547 267 A HA 0.262 4.581 4.320 -0.001 0.000 0.233 267 A C 1.131 178.749 177.584 0.056 0.000 1.067 267 A CA 0.866 52.913 52.037 0.017 0.000 0.763 267 A CB -0.109 18.895 19.000 0.007 0.000 1.007 267 A HN 1.122 nan 8.150 nan 0.000 0.506 268 E N 0.365 120.588 120.200 0.039 0.000 2.049 268 E HA -0.260 4.090 4.350 -0.001 0.000 0.198 268 E C 1.563 178.227 176.600 0.105 0.000 1.007 268 E CA 2.085 58.533 56.400 0.081 0.000 0.809 268 E CB -0.088 29.578 29.700 -0.057 0.000 0.749 268 E HN 0.853 nan 8.360 nan 0.000 0.450 269 E N 0.645 120.884 120.200 0.066 0.000 2.401 269 E HA -0.163 4.187 4.350 -0.001 0.000 0.199 269 E C 1.582 178.218 176.600 0.061 0.000 1.023 269 E CA 0.673 57.118 56.400 0.075 0.000 0.859 269 E CB -0.050 29.687 29.700 0.062 0.000 0.780 269 E HN 0.150 nan 8.360 nan 0.000 0.523 270 E N -0.327 119.908 120.200 0.059 0.000 2.385 270 E HA 0.149 4.499 4.350 -0.001 0.000 0.194 270 E C 0.828 177.467 176.600 0.066 0.000 1.013 270 E CA 0.768 57.194 56.400 0.043 0.000 0.866 270 E CB 0.477 30.197 29.700 0.033 0.000 0.832 270 E HN 0.288 nan 8.360 nan 0.000 0.500 271 A N -0.273 122.623 122.820 0.127 0.000 2.635 271 A HA 0.226 4.545 4.320 -0.001 0.000 0.279 271 A C 0.439 178.221 177.584 0.331 0.000 1.122 271 A CA -0.163 52.000 52.037 0.209 0.000 0.965 271 A CB 0.736 19.838 19.000 0.171 0.000 1.221 271 A HN -0.001 nan 8.150 nan 0.000 0.566 272 T N -0.501 114.212 114.554 0.265 0.000 2.900 272 T HA 0.455 4.805 4.350 -0.001 0.000 0.295 272 T C -0.293 174.568 174.700 0.268 0.000 1.044 272 T CA -0.164 62.125 62.100 0.314 0.000 0.995 272 T CB 1.477 70.501 68.868 0.260 0.000 1.072 272 T HN -0.075 nan 8.240 nan 0.000 0.473 273 S N 2.705 118.606 115.700 0.334 0.000 2.694 273 S HA 0.572 5.041 4.470 -0.001 0.000 0.211 273 S C 0.545 175.398 174.600 0.421 0.000 1.328 273 S CA -0.036 58.357 58.200 0.321 0.000 1.236 273 S CB -0.294 63.095 63.200 0.315 0.000 1.121 273 S HN 1.306 nan 8.310 nan 0.000 0.517 274 G N 1.454 110.433 108.800 0.298 0.000 2.787 274 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.685 274 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.685 274 G C -0.919 174.041 174.900 0.100 0.000 1.437 274 G CA -0.738 44.436 45.100 0.124 0.000 0.872 274 G HN 0.633 nan 8.290 nan 0.000 0.566 275 L N 0.595 121.770 121.223 -0.080 0.000 2.295 275 L HA 0.793 5.132 4.340 -0.001 0.000 0.285 275 L C 0.154 177.119 176.870 0.158 0.000 1.035 275 L CA -0.783 54.093 54.840 0.061 0.000 0.806 275 L CB 1.941 44.006 42.059 0.011 0.000 1.214 275 L HN 0.731 nan 8.230 nan 0.000 0.426 276 V N 6.647 126.751 119.914 0.317 0.000 2.483 276 V HA 0.648 4.768 4.120 -0.001 0.000 0.295 276 V C -0.011 176.290 176.094 0.346 0.000 1.035 276 V CA -0.416 62.137 62.300 0.421 0.000 0.896 276 V CB 1.455 33.595 31.823 0.529 0.000 0.986 276 V HN 0.932 nan 8.190 nan 0.000 0.447 277 M N 5.937 125.742 119.600 0.340 0.000 2.284 277 M HA 0.711 5.191 4.480 -0.001 0.000 0.281 277 M C -1.405 175.045 176.300 0.249 0.000 1.083 277 M CA -0.553 54.909 55.300 0.270 0.000 0.965 277 M CB 1.977 34.672 32.600 0.158 0.000 1.717 277 M HN 0.542 nan 8.290 nan 0.000 0.479 278 L N 3.530 124.896 121.223 0.239 0.000 2.334 278 L HA 1.085 5.424 4.340 -0.001 0.000 0.276 278 L C -1.266 175.674 176.870 0.116 0.000 1.014 278 L CA -0.201 54.740 54.840 0.167 0.000 0.815 278 L CB 1.842 44.005 42.059 0.173 0.000 1.268 278 L HN 1.139 nan 8.230 nan 0.000 0.428 279 C N 2.356 121.669 119.300 0.022 0.000 3.239 279 C HA 0.689 5.149 4.460 -0.001 0.000 0.329 279 C C -0.280 174.545 174.990 -0.275 0.000 1.252 279 C CA -1.121 57.847 59.018 -0.083 0.000 1.323 279 C CB 0.314 27.995 27.740 -0.099 0.000 1.663 279 C HN 0.898 nan 8.230 nan 0.000 0.487 280 I N -0.470 119.962 120.570 -0.230 0.000 2.612 280 I HA 0.553 4.722 4.170 -0.001 0.000 0.295 280 I C -0.021 175.850 176.117 -0.410 0.000 1.011 280 I CA -0.209 60.982 61.300 -0.181 0.000 1.326 280 I CB 0.236 38.282 38.000 0.077 0.000 1.427 280 I HN 0.654 nan 8.210 nan 0.000 0.537 281 H N 3.555 122.692 119.070 0.111 0.000 2.854 281 H HA 0.670 5.226 4.556 -0.001 0.000 0.275 281 H C 0.171 175.563 175.328 0.107 0.000 1.198 281 H CA -0.123 55.973 56.048 0.080 0.000 1.489 281 H CB 1.013 30.797 29.762 0.037 0.000 1.519 281 H HN 1.133 nan 8.280 nan 0.000 0.503 282 G N 0.922 109.833 108.800 0.185 0.000 2.406 282 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.680 282 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.680 282 G C -1.058 173.928 174.900 0.143 0.000 1.338 282 G CA -1.082 44.116 45.100 0.164 0.000 0.941 282 G HN 0.336 nan 8.290 nan 0.000 0.633 283 S N 2.679 118.443 115.700 0.107 0.000 2.439 283 S HA 0.544 5.013 4.470 -0.001 0.000 0.282 283 S C -1.919 172.715 174.600 0.057 0.000 1.170 283 S CA -0.730 57.511 58.200 0.068 0.000 1.054 283 S CB 1.485 64.717 63.200 0.053 0.000 0.956 283 S HN 0.655 nan 8.310 nan 0.000 0.490 284 P HA 0.110 nan 4.420 nan 0.000 0.267 284 P C -0.573 176.713 177.300 -0.025 0.000 1.328 284 P CA -0.068 62.939 63.100 -0.155 0.000 0.990 284 P CB 0.059 31.551 31.700 -0.347 0.000 1.168 285 V N 4.120 124.035 119.914 0.002 0.000 2.644 285 V HA 0.250 4.369 4.120 -0.001 0.000 0.295 285 V C 0.912 176.985 176.094 -0.035 0.000 1.053 285 V CA -0.576 61.730 62.300 0.011 0.000 0.987 285 V CB 1.346 33.178 31.823 0.016 0.000 1.006 285 V HN 0.508 nan 8.190 nan 0.000 0.472 286 N N 1.698 120.389 118.700 -0.014 0.000 2.456 286 N HA 0.212 4.952 4.740 -0.001 0.000 0.288 286 N C 0.819 176.261 175.510 -0.113 0.000 1.059 286 N CA -0.108 52.907 53.050 -0.058 0.000 0.946 286 N CB 1.964 40.493 38.487 0.071 0.000 1.150 286 N HN 0.599 nan 8.380 nan 0.000 0.479 287 S N 2.602 118.130 115.700 -0.286 0.000 2.387 287 S HA -0.048 4.421 4.470 -0.001 0.000 0.226 287 S C 1.180 175.599 174.600 -0.302 0.000 1.026 287 S CA 0.941 58.933 58.200 -0.345 0.000 0.972 287 S CB -0.260 62.638 63.200 -0.503 0.000 0.814 287 S HN 0.664 nan 8.310 nan 0.000 0.477 288 Y N 2.037 122.340 120.300 0.005 0.000 2.144 288 Y HA -0.085 4.464 4.550 -0.001 0.000 0.279 288 Y C 3.304 179.214 175.900 0.017 0.000 1.099 288 Y CA 1.150 59.256 58.100 0.011 0.000 1.087 288 Y CB -1.457 37.011 38.460 0.013 0.000 1.007 288 Y HN 0.297 nan 8.280 nan 0.000 0.482 289 T N -1.815 112.870 114.554 0.219 0.000 2.946 289 T HA -0.218 4.131 4.350 -0.001 0.000 0.271 289 T C 1.008 175.754 174.700 0.077 0.000 1.104 289 T CA 1.044 63.222 62.100 0.130 0.000 1.114 289 T CB -0.686 68.259 68.868 0.128 0.000 0.867 289 T HN 0.472 nan 8.240 nan 0.000 0.513 290 N N 2.087 120.818 118.700 0.050 0.000 2.708 290 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 290 N C -0.206 175.325 175.510 0.034 0.000 1.097 290 N CA 1.482 54.547 53.050 0.026 0.000 0.710 290 N CB -1.362 37.139 38.487 0.023 0.000 1.032 290 N HN 0.980 nan 8.380 nan 0.000 0.551 291 T N -3.200 111.383 114.554 0.049 0.000 2.883 291 T HA 0.615 4.964 4.350 -0.001 0.000 0.296 291 T C -2.833 171.907 174.700 0.067 0.000 1.117 291 T CA -1.480 60.651 62.100 0.051 0.000 1.006 291 T CB 3.082 71.983 68.868 0.054 0.000 1.191 291 T HN -0.129 nan 8.240 nan 0.000 0.508 292 P HA -0.005 nan 4.420 nan 0.000 0.269 292 P C -1.372 176.004 177.300 0.126 0.000 1.205 292 P CA -0.014 63.128 63.100 0.071 0.000 0.780 292 P CB 0.180 31.904 31.700 0.040 0.000 0.858 293 Y N 0.567 120.847 120.300 -0.034 0.000 2.334 293 Y HA 0.275 4.824 4.550 -0.001 0.000 0.336 293 Y C 1.070 176.947 175.900 -0.038 0.000 0.960 293 Y CA -0.085 57.994 58.100 -0.036 0.000 1.164 293 Y CB 1.052 39.471 38.460 -0.067 0.000 1.155 293 Y HN 0.227 nan 8.280 nan 0.000 0.478 294 T N 3.576 117.865 114.554 -0.441 0.000 3.051 294 T HA 0.149 4.499 4.350 -0.001 0.000 0.255 294 T C 1.097 175.429 174.700 -0.613 0.000 1.085 294 T CA 0.622 62.489 62.100 -0.389 0.000 1.109 294 T CB -0.256 68.486 68.868 -0.211 0.000 0.921 294 T HN 0.862 nan 8.240 nan 0.000 0.488 295 G N 1.362 109.435 108.800 -1.212 0.000 2.794 295 G HA2 0.389 4.349 3.960 -0.001 0.000 0.249 295 G HA3 0.389 4.349 3.960 -0.001 0.000 0.249 295 G C 0.226 174.846 174.900 -0.468 0.000 1.236 295 G CA -0.215 44.340 45.100 -0.909 0.000 0.880 295 G HN 0.544 nan 8.290 nan 0.000 0.586 296 A N -0.701 122.061 122.820 -0.096 0.000 2.498 296 A HA 0.425 4.744 4.320 -0.001 0.000 0.239 296 A C 1.059 178.755 177.584 0.188 0.000 1.068 296 A CA -0.100 51.962 52.037 0.041 0.000 0.766 296 A CB 0.425 19.455 19.000 0.050 0.000 1.003 296 A HN 0.542 nan 8.150 nan 0.000 0.497 297 L N 1.669 122.994 121.223 0.169 0.000 2.388 297 L HA 0.476 4.816 4.340 -0.001 0.000 0.209 297 L C 1.303 178.296 176.870 0.205 0.000 1.061 297 L CA 1.578 56.569 54.840 0.253 0.000 0.834 297 L CB -0.494 41.727 42.059 0.270 0.000 1.029 297 L HN 1.069 nan 8.230 nan 0.000 0.473 298 G N -1.386 107.456 108.800 0.070 0.000 2.317 298 G HA2 0.392 4.351 3.960 -0.001 0.000 0.293 298 G HA3 0.392 4.351 3.960 -0.001 0.000 0.293 298 G C -1.964 172.821 174.900 -0.193 0.000 1.287 298 G CA -0.852 44.126 45.100 -0.205 0.000 0.850 298 G HN -0.106 nan 8.290 nan 0.000 0.515 299 L N -0.273 120.749 121.223 -0.334 0.000 2.319 299 L HA 0.690 5.029 4.340 -0.001 0.000 0.267 299 L C -0.362 176.421 176.870 -0.145 0.000 1.011 299 L CA -1.012 53.724 54.840 -0.173 0.000 0.818 299 L CB 2.209 44.193 42.059 -0.126 0.000 1.316 299 L HN 0.384 nan 8.230 nan 0.000 0.432 300 L N 2.216 123.410 121.223 -0.049 0.000 2.301 300 L HA 0.341 4.680 4.340 -0.001 0.000 0.278 300 L C -0.856 176.030 176.870 0.026 0.000 1.022 300 L CA -0.219 54.618 54.840 -0.006 0.000 0.854 300 L CB 1.167 43.235 42.059 0.015 0.000 1.226 300 L HN 0.615 nan 8.230 nan 0.000 0.429 301 D N 3.866 124.240 120.400 -0.044 0.000 2.225 301 D HA 0.219 4.858 4.640 -0.001 0.000 0.248 301 D C -1.164 175.089 176.300 -0.079 0.000 1.096 301 D CA -0.224 53.785 54.000 0.016 0.000 0.863 301 D CB 1.149 41.944 40.800 -0.009 0.000 1.156 301 D HN 0.124 nan 8.370 nan 0.000 0.450 302 F N 1.650 121.599 119.950 -0.002 0.000 2.388 302 F HA 0.420 4.947 4.527 -0.001 0.000 0.358 302 F C 0.660 176.471 175.800 0.018 0.000 1.122 302 F CA -0.835 57.175 58.000 0.016 0.000 1.056 302 F CB 1.851 40.860 39.000 0.015 0.000 1.155 302 F HN 0.297 nan 8.300 nan 0.000 0.461 303 A N 6.624 129.510 122.820 0.110 0.000 2.412 303 A HA 0.751 5.070 4.320 -0.001 0.000 0.334 303 A C -0.864 176.777 177.584 0.095 0.000 1.419 303 A CA -0.437 51.649 52.037 0.082 0.000 0.930 303 A CB -0.189 18.823 19.000 0.021 0.000 1.149 303 A HN 0.764 nan 8.150 nan 0.000 0.515 304 L N 1.285 122.594 121.223 0.143 0.000 2.346 304 L HA 0.609 4.948 4.340 -0.001 0.000 0.274 304 L C 0.071 177.002 176.870 0.103 0.000 1.007 304 L CA -0.503 54.419 54.840 0.138 0.000 0.818 304 L CB 2.252 44.429 42.059 0.196 0.000 1.284 304 L HN 0.748 nan 8.230 nan 0.000 0.424 305 E N 3.556 123.779 120.200 0.038 0.000 2.182 305 E HA 0.570 4.920 4.350 -0.001 0.000 0.258 305 E C -1.483 175.082 176.600 -0.059 0.000 0.879 305 E CA -0.470 55.909 56.400 -0.036 0.000 0.754 305 E CB 1.163 30.826 29.700 -0.061 0.000 1.162 305 E HN 0.478 nan 8.360 nan 0.000 0.419 306 L N 2.349 123.514 121.223 -0.098 0.000 2.331 306 L HA 0.625 4.964 4.340 -0.001 0.000 0.268 306 L C -0.040 176.566 176.870 -0.440 0.000 1.015 306 L CA -1.048 53.658 54.840 -0.224 0.000 0.807 306 L CB 1.623 43.549 42.059 -0.221 0.000 1.293 306 L HN 0.483 nan 8.230 nan 0.000 0.451 307 E N 0.450 120.360 120.200 -0.484 0.000 2.256 307 E HA 0.512 4.861 4.350 -0.001 0.000 0.268 307 E C -1.735 174.677 176.600 -0.313 0.000 0.877 307 E CA -0.379 55.789 56.400 -0.386 0.000 0.757 307 E CB 2.391 31.984 29.700 -0.179 0.000 1.183 307 E HN 0.282 nan 8.360 nan 0.000 0.418 308 F N 1.628 121.586 119.950 0.014 0.000 2.480 308 F HA 0.607 5.134 4.527 -0.001 0.000 0.329 308 F C 0.403 176.114 175.800 -0.148 0.000 1.091 308 F CA -0.964 56.988 58.000 -0.080 0.000 0.972 308 F CB 2.008 40.746 39.000 -0.436 0.000 1.150 308 F HN 0.165 nan 8.300 nan 0.000 0.467 309 R N 1.432 122.066 120.500 0.223 0.000 2.774 309 R HA 0.458 4.798 4.340 -0.001 0.000 0.272 309 R C -1.715 174.720 176.300 0.225 0.000 1.000 309 R CA -0.815 55.372 56.100 0.144 0.000 0.906 309 R CB 1.389 31.746 30.300 0.094 0.000 1.227 309 R HN 0.793 nan 8.270 nan 0.000 0.468 310 N N 1.354 120.164 118.700 0.185 0.000 2.454 310 N HA -0.185 4.554 4.740 -0.001 0.000 0.280 310 N C -1.540 174.136 175.510 0.276 0.000 1.515 310 N CA 0.217 53.371 53.050 0.172 0.000 0.892 310 N CB -0.512 38.039 38.487 0.105 0.000 0.892 310 N HN 0.467 nan 8.380 nan 0.000 0.475 311 L N 2.641 123.991 121.223 0.211 0.000 2.369 311 L HA 0.485 4.824 4.340 -0.001 0.000 0.279 311 L C 0.304 177.156 176.870 -0.030 0.000 1.108 311 L CA 0.403 55.302 54.840 0.097 0.000 0.852 311 L CB 0.176 42.287 42.059 0.087 0.000 1.169 311 L HN 0.595 nan 8.230 nan 0.000 0.452 312 T N 2.767 117.238 114.554 -0.138 0.000 3.160 312 T HA 0.326 4.675 4.350 -0.001 0.000 0.344 312 T C -1.792 172.799 174.700 -0.181 0.000 0.981 312 T CA -1.270 60.761 62.100 -0.115 0.000 1.170 312 T CB 0.995 69.826 68.868 -0.060 0.000 1.016 312 T HN 0.380 nan 8.240 nan 0.000 0.492 313 P HA -0.094 nan 4.420 nan 0.000 0.223 313 P C 0.830 178.039 177.300 -0.153 0.000 1.140 313 P CA 2.305 65.308 63.100 -0.162 0.000 0.797 313 P CB -0.345 31.291 31.700 -0.107 0.000 0.748 314 G N -1.091 107.620 108.800 -0.147 0.000 2.927 314 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.234 314 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.234 314 G C 0.042 174.882 174.900 -0.098 0.000 3.444 314 G CA -0.426 44.597 45.100 -0.128 0.000 0.715 314 G HN 0.247 nan 8.290 nan 0.000 0.422 315 N N -0.128 118.518 118.700 -0.090 0.000 2.461 315 N HA 0.042 4.782 4.740 -0.001 0.000 0.188 315 N C 0.173 175.637 175.510 -0.076 0.000 1.134 315 N CA 0.620 53.629 53.050 -0.069 0.000 0.878 315 N CB 0.343 38.800 38.487 -0.050 0.000 0.972 315 N HN 0.364 nan 8.380 nan 0.000 0.456 316 T N 0.732 115.230 114.554 -0.093 0.000 2.885 316 T HA 0.193 4.542 4.350 -0.001 0.000 0.285 316 T C -0.291 174.344 174.700 -0.108 0.000 1.019 316 T CA -0.946 61.092 62.100 -0.103 0.000 1.010 316 T CB 1.444 70.240 68.868 -0.119 0.000 1.022 316 T HN 0.220 nan 8.240 nan 0.000 0.466 317 N N 0.913 119.549 118.700 -0.107 0.000 2.326 317 N HA 0.056 4.796 4.740 -0.001 0.000 0.239 317 N C 0.189 175.620 175.510 -0.131 0.000 1.301 317 N CA -0.210 52.776 53.050 -0.106 0.000 0.909 317 N CB 0.323 38.750 38.487 -0.099 0.000 1.156 317 N HN 0.508 nan 8.380 nan 0.000 0.462 318 T N -1.598 112.877 114.554 -0.131 0.000 2.985 318 T HA 0.108 4.458 4.350 -0.001 0.000 0.254 318 T C 0.339 174.928 174.700 -0.186 0.000 1.021 318 T CA -0.093 61.916 62.100 -0.152 0.000 0.957 318 T CB 0.254 69.051 68.868 -0.120 0.000 1.047 318 T HN 0.579 nan 8.240 nan 0.000 0.511 319 R N 1.293 121.692 120.500 -0.169 0.000 2.686 319 R HA 0.762 5.101 4.340 -0.001 0.000 0.286 319 R C -1.295 174.900 176.300 -0.176 0.000 0.969 319 R CA -0.998 54.993 56.100 -0.181 0.000 0.898 319 R CB 1.797 32.010 30.300 -0.145 0.000 1.183 319 R HN 0.020 nan 8.270 nan 0.000 0.456 320 V N -0.929 118.874 119.914 -0.184 0.000 2.715 320 V HA 0.704 4.823 4.120 -0.001 0.000 0.310 320 V C -0.293 175.709 176.094 -0.154 0.000 1.054 320 V CA -0.876 61.329 62.300 -0.157 0.000 0.928 320 V CB 1.908 33.647 31.823 -0.140 0.000 1.007 320 V HN 0.858 nan 8.190 nan 0.000 0.437 321 S N 2.439 118.021 115.700 -0.197 0.000 2.532 321 S HA 0.814 5.284 4.470 -0.001 0.000 0.301 321 S C -0.423 174.000 174.600 -0.295 0.000 1.083 321 S CA -0.846 57.164 58.200 -0.316 0.000 1.025 321 S CB 1.855 64.742 63.200 -0.521 0.000 1.056 321 S HN 0.890 nan 8.310 nan 0.000 0.494 322 R N 1.899 122.242 120.500 -0.261 0.000 2.921 322 R HA 0.241 4.580 4.340 -0.001 0.000 0.269 322 R C -1.909 174.465 176.300 0.122 0.000 1.696 322 R CA -0.197 55.853 56.100 -0.084 0.000 1.161 322 R CB 0.492 30.816 30.300 0.040 0.000 1.337 322 R HN 0.797 nan 8.270 nan 0.000 0.496 323 Y N 1.790 122.103 120.300 0.021 0.000 2.323 323 Y HA 0.354 4.904 4.550 -0.001 0.000 0.331 323 Y C 0.444 176.369 175.900 0.042 0.000 1.092 323 Y CA -0.970 57.153 58.100 0.040 0.000 1.150 323 Y CB 2.348 40.840 38.460 0.054 0.000 1.200 323 Y HN 0.256 nan 8.280 nan 0.000 0.472 324 T N 1.963 116.648 114.554 0.218 0.000 2.841 324 T HA 0.343 4.693 4.350 -0.001 0.000 0.283 324 T C -0.812 173.961 174.700 0.121 0.000 1.000 324 T CA -0.860 61.325 62.100 0.142 0.000 0.977 324 T CB 1.612 70.552 68.868 0.119 0.000 0.979 324 T HN 0.495 nan 8.240 nan 0.000 0.446 325 S N 1.753 117.534 115.700 0.134 0.000 2.677 325 S HA 0.555 5.024 4.470 -0.001 0.000 0.283 325 S C -0.930 173.816 174.600 0.243 0.000 1.159 325 S CA -0.616 57.683 58.200 0.166 0.000 1.001 325 S CB 0.883 64.208 63.200 0.207 0.000 1.032 325 S HN 0.638 nan 8.310 nan 0.000 0.487 326 T N 4.037 118.690 114.554 0.165 0.000 2.874 326 T HA 0.778 5.128 4.350 -0.001 0.000 0.321 326 T C -0.051 174.681 174.700 0.054 0.000 1.075 326 T CA -0.289 61.900 62.100 0.148 0.000 0.966 326 T CB 0.878 69.793 68.868 0.078 0.000 1.001 326 T HN 0.874 nan 8.240 nan 0.000 0.476 327 A N 2.758 125.550 122.820 -0.046 0.000 2.535 327 A HA 0.800 5.119 4.320 -0.001 0.000 0.296 327 A C -0.637 176.724 177.584 -0.372 0.000 1.248 327 A CA -1.129 50.759 52.037 -0.249 0.000 0.686 327 A CB 1.018 19.824 19.000 -0.324 0.000 1.315 327 A HN 0.608 nan 8.150 nan 0.000 0.460 328 R N 1.318 121.630 120.500 -0.313 0.000 2.429 328 R HA 0.239 4.579 4.340 -0.001 0.000 0.302 328 R C -0.794 175.326 176.300 -0.299 0.000 1.268 328 R CA -0.069 55.897 56.100 -0.223 0.000 1.090 328 R CB -0.586 29.636 30.300 -0.129 0.000 1.102 328 R HN 0.706 nan 8.270 nan 0.000 0.522 329 H N 3.001 122.027 119.070 -0.073 0.000 2.481 329 H HA 0.329 4.885 4.556 -0.001 0.000 0.339 329 H C -0.170 175.082 175.328 -0.125 0.000 1.131 329 H CA -0.282 55.705 56.048 -0.101 0.000 1.301 329 H CB 1.420 31.093 29.762 -0.148 0.000 1.476 329 H HN 0.395 nan 8.280 nan 0.000 0.529 330 R N 1.808 122.313 120.500 0.008 0.000 2.621 330 R HA 0.206 4.546 4.340 -0.001 0.000 0.284 330 R C -1.191 175.069 176.300 -0.067 0.000 0.998 330 R CA -1.113 54.959 56.100 -0.045 0.000 0.895 330 R CB 1.637 31.918 30.300 -0.031 0.000 1.195 330 R HN 0.268 nan 8.270 nan 0.000 0.450 331 L N 5.291 126.448 121.223 -0.110 0.000 2.334 331 L HA 0.293 4.632 4.340 -0.001 0.000 0.286 331 L C 0.177 177.001 176.870 -0.076 0.000 1.108 331 L CA 0.083 54.851 54.840 -0.121 0.000 0.875 331 L CB 0.094 42.050 42.059 -0.172 0.000 1.246 331 L HN 0.481 nan 8.230 nan 0.000 0.439 332 R N 3.247 123.717 120.500 -0.050 0.000 2.896 332 R HA 0.526 4.866 4.340 -0.001 0.000 0.283 332 R C -0.166 176.110 176.300 -0.041 0.000 1.201 332 R CA -0.553 55.527 56.100 -0.032 0.000 1.178 332 R CB 0.206 30.496 30.300 -0.016 0.000 1.152 332 R HN 0.675 nan 8.270 nan 0.000 0.590 333 R N -2.245 118.239 120.500 -0.028 0.000 2.979 333 R HA 0.368 4.707 4.340 -0.001 0.000 0.245 333 R C -0.626 175.666 176.300 -0.014 0.000 1.104 333 R CA 0.256 56.337 56.100 -0.031 0.000 1.056 333 R CB 0.356 30.629 30.300 -0.044 0.000 1.265 333 R HN 0.686 nan 8.270 nan 0.000 0.470 334 G N 1.527 110.319 108.800 -0.012 0.000 3.468 334 G HA2 0.395 4.354 3.960 -0.001 0.000 0.116 334 G HA3 0.395 4.354 3.960 -0.001 0.000 0.116 334 G C 0.904 175.803 174.900 -0.001 0.000 1.119 334 G CA 0.323 45.421 45.100 -0.003 0.000 1.377 334 G HN 1.122 nan 8.290 nan 0.000 0.601 335 A N 1.745 124.566 122.820 0.001 0.000 2.261 335 A HA -0.334 3.985 4.320 -0.001 0.000 0.271 335 A C 1.687 179.275 177.584 0.007 0.000 2.785 335 A CA 3.434 55.475 52.037 0.006 0.000 1.014 335 A CB -1.486 17.519 19.000 0.009 0.000 0.645 335 A HN 0.930 nan 8.150 nan 0.000 0.482 336 D N -1.837 118.566 120.400 0.006 0.000 2.398 336 D HA 0.375 5.015 4.640 -0.001 0.000 0.210 336 D C 1.057 177.359 176.300 0.003 0.000 1.094 336 D CA 1.116 55.121 54.000 0.008 0.000 0.839 336 D CB 0.160 40.968 40.800 0.014 0.000 0.963 336 D HN 1.630 nan 8.370 nan 0.000 0.506 337 G N 1.347 110.145 108.800 -0.003 0.000 2.168 337 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.197 337 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.197 337 G C 0.461 175.348 174.900 -0.022 0.000 0.997 337 G CA 0.184 45.279 45.100 -0.008 0.000 0.658 337 G HN 0.563 nan 8.290 nan 0.000 0.513 338 T N -0.933 113.603 114.554 -0.030 0.000 2.902 338 T HA 0.784 5.134 4.350 -0.001 0.000 0.280 338 T C 0.626 175.283 174.700 -0.072 0.000 0.992 338 T CA 0.293 62.359 62.100 -0.056 0.000 1.015 338 T CB 2.107 70.932 68.868 -0.072 0.000 1.044 338 T HN 1.653 nan 8.240 nan 0.000 0.520 339 A N 1.204 123.962 122.820 -0.102 0.000 2.401 339 A HA 0.527 4.847 4.320 -0.001 0.000 0.259 339 A C 0.149 177.675 177.584 -0.097 0.000 1.103 339 A CA -0.616 51.361 52.037 -0.101 0.000 0.789 339 A CB -0.075 18.855 19.000 -0.117 0.000 1.035 339 A HN 0.862 nan 8.150 nan 0.000 0.491 340 E N 0.570 120.734 120.200 -0.060 0.000 2.293 340 E HA 0.540 4.890 4.350 -0.001 0.000 0.270 340 E C -1.767 174.826 176.600 -0.012 0.000 0.879 340 E CA -0.754 55.629 56.400 -0.027 0.000 0.756 340 E CB 2.368 32.062 29.700 -0.010 0.000 1.208 340 E HN 0.462 nan 8.360 nan 0.000 0.428 341 L N 1.378 122.614 121.223 0.022 0.000 2.410 341 L HA 0.447 4.787 4.340 -0.001 0.000 0.270 341 L C -1.162 175.750 176.870 0.071 0.000 0.983 341 L CA -0.130 54.729 54.840 0.031 0.000 0.822 341 L CB 2.214 44.295 42.059 0.037 0.000 1.285 341 L HN 0.462 nan 8.230 nan 0.000 0.409 342 T N 2.716 117.315 114.554 0.075 0.000 2.767 342 T HA 0.789 5.139 4.350 -0.001 0.000 0.284 342 T C -0.463 174.334 174.700 0.162 0.000 0.973 342 T CA -0.448 61.713 62.100 0.101 0.000 0.996 342 T CB 1.137 70.048 68.868 0.071 0.000 0.927 342 T HN 0.697 nan 8.240 nan 0.000 0.456 343 T N 1.508 116.166 114.554 0.174 0.000 2.942 343 T HA 0.250 4.599 4.350 -0.001 0.000 0.327 343 T C 1.159 175.981 174.700 0.203 0.000 1.360 343 T CA -0.803 61.441 62.100 0.239 0.000 1.055 343 T CB 1.697 70.651 68.868 0.143 0.000 1.261 343 T HN 0.509 nan 8.240 nan 0.000 0.485 344 T N 1.193 115.875 114.554 0.213 0.000 3.025 344 T HA -0.025 4.325 4.350 -0.001 0.000 0.270 344 T C 2.130 176.934 174.700 0.173 0.000 1.126 344 T CA 1.053 63.244 62.100 0.152 0.000 1.105 344 T CB -0.170 68.765 68.868 0.112 0.000 0.884 344 T HN 0.691 nan 8.240 nan 0.000 0.522 345 A N 1.525 124.466 122.820 0.202 0.000 1.929 345 A HA 0.367 4.687 4.320 -0.001 0.000 0.216 345 A C 2.411 180.185 177.584 0.317 0.000 1.176 345 A CA 1.156 53.340 52.037 0.245 0.000 0.628 345 A CB -0.753 18.353 19.000 0.178 0.000 0.816 345 A HN 0.500 nan 8.150 nan 0.000 0.444 346 A N -0.758 122.237 122.820 0.292 0.000 2.261 346 A HA 0.227 4.546 4.320 -0.001 0.000 0.208 346 A C 1.788 179.582 177.584 0.350 0.000 1.223 346 A CA 1.209 53.481 52.037 0.392 0.000 0.833 346 A CB -1.021 18.212 19.000 0.388 0.000 0.830 346 A HN 0.398 nan 8.150 nan 0.000 0.483 347 T N 0.008 114.748 114.554 0.309 0.000 2.516 347 T HA -0.236 4.113 4.350 -0.001 0.000 0.261 347 T C 2.115 176.990 174.700 0.293 0.000 1.130 347 T CA 1.801 64.052 62.100 0.251 0.000 1.193 347 T CB -0.217 68.768 68.868 0.195 0.000 0.864 347 T HN 0.633 nan 8.240 nan 0.000 0.410 348 R N -0.274 120.474 120.500 0.413 0.000 2.092 348 R HA -0.057 4.282 4.340 -0.001 0.000 0.231 348 R C 2.291 178.835 176.300 0.406 0.000 1.119 348 R CA 1.067 57.418 56.100 0.419 0.000 0.970 348 R CB -0.520 30.094 30.300 0.523 0.000 0.864 348 R HN 0.365 nan 8.270 nan 0.000 0.440 349 F N 1.400 121.470 119.950 0.200 0.000 2.236 349 F HA -0.238 4.289 4.527 -0.001 0.000 0.302 349 F C 1.961 177.836 175.800 0.124 0.000 1.073 349 F CA 1.242 59.324 58.000 0.137 0.000 1.336 349 F CB -0.143 38.920 39.000 0.105 0.000 1.040 349 F HN 0.012 nan 8.300 nan 0.000 0.507 350 M N 0.168 119.825 119.600 0.094 0.000 2.086 350 M HA -0.169 4.311 4.480 -0.001 0.000 0.261 350 M C 1.044 177.388 176.300 0.073 0.000 1.067 350 M CA 1.377 56.706 55.300 0.047 0.000 1.116 350 M CB -1.183 31.486 32.600 0.115 0.000 1.348 350 M HN -0.103 nan 8.290 nan 0.000 0.407 351 K N 2.755 123.163 120.400 0.013 0.000 2.054 351 K HA 0.027 4.346 4.320 -0.001 0.000 0.242 351 K C -0.536 175.884 176.600 -0.302 0.000 1.157 351 K CA -0.018 56.223 56.287 -0.077 0.000 1.079 351 K CB -0.510 31.922 32.500 -0.113 0.000 1.331 351 K HN 0.325 nan 8.250 nan 0.000 0.317 352 D N 0.097 120.375 120.400 -0.204 0.000 2.392 352 D HA 0.126 4.766 4.640 -0.001 0.000 0.246 352 D C 1.287 177.471 176.300 -0.194 0.000 1.013 352 D CA -0.812 53.018 54.000 -0.283 0.000 0.993 352 D CB 0.797 41.383 40.800 -0.358 0.000 1.219 352 D HN 0.035 nan 8.370 nan 0.000 0.538 353 L N -0.322 120.821 121.223 -0.134 0.000 1.978 353 L HA -0.255 4.085 4.340 -0.001 0.000 0.218 353 L C 2.335 179.187 176.870 -0.029 0.000 1.075 353 L CA 1.995 56.799 54.840 -0.060 0.000 0.767 353 L CB -0.962 41.077 42.059 -0.032 0.000 0.890 353 L HN 0.650 nan 8.230 nan 0.000 0.434 354 H N -0.267 118.692 119.070 -0.185 0.000 2.492 354 H HA -0.183 4.372 4.556 -0.001 0.000 0.296 354 H C 1.255 176.602 175.328 0.031 0.000 1.095 354 H CA 1.155 57.122 56.048 -0.134 0.000 1.281 354 H CB -0.045 29.575 29.762 -0.237 0.000 1.374 354 H HN 0.156 nan 8.280 nan 0.000 0.545 355 F N -0.123 119.769 119.950 -0.097 0.000 2.697 355 F HA 0.105 4.631 4.527 -0.001 0.000 0.297 355 F C 1.690 177.412 175.800 -0.130 0.000 1.203 355 F CA 0.367 58.282 58.000 -0.142 0.000 1.421 355 F CB -0.703 38.240 39.000 -0.096 0.000 1.033 355 F HN 0.125 nan 8.300 nan 0.000 0.512 356 T N -1.482 113.094 114.554 0.036 0.000 3.057 356 T HA 0.085 4.434 4.350 -0.001 0.000 0.254 356 T C 1.562 176.244 174.700 -0.031 0.000 1.094 356 T CA 0.640 62.741 62.100 0.002 0.000 1.088 356 T CB 0.053 68.917 68.868 -0.007 0.000 0.934 356 T HN 0.296 nan 8.240 nan 0.000 0.497 357 G N 2.053 110.808 108.800 -0.076 0.000 3.058 357 G HA2 0.388 4.347 3.960 -0.001 0.000 0.316 357 G HA3 0.388 4.347 3.960 -0.001 0.000 0.316 357 G C -0.110 174.743 174.900 -0.079 0.000 0.951 357 G CA -0.364 44.684 45.100 -0.086 0.000 1.535 357 G HN 0.153 nan 8.290 nan 0.000 0.500 358 T N 2.349 116.867 114.554 -0.060 0.000 1.029 358 T HA -0.232 4.118 4.350 -0.001 0.000 0.748 358 T C 0.936 175.574 174.700 -0.103 0.000 0.991 358 T CA 0.790 62.848 62.100 -0.071 0.000 3.932 358 T CB -0.562 68.275 68.868 -0.051 0.000 2.128 358 T HN 0.805 nan 8.240 nan 0.000 0.373 359 N N 2.305 120.901 118.700 -0.175 0.000 2.360 359 N HA 0.051 4.790 4.740 -0.001 0.000 0.292 359 N C 0.570 175.972 175.510 -0.180 0.000 1.330 359 N CA 0.248 53.123 53.050 -0.292 0.000 1.009 359 N CB 0.263 38.451 38.487 -0.499 0.000 1.419 359 N HN 0.770 nan 8.380 nan 0.000 0.487 360 G N 1.659 110.397 108.800 -0.103 0.000 2.396 360 G HA2 0.277 4.236 3.960 -0.001 0.000 0.292 360 G HA3 0.277 4.236 3.960 -0.001 0.000 0.292 360 G C 0.471 175.338 174.900 -0.055 0.000 1.106 360 G CA -0.643 44.422 45.100 -0.058 0.000 1.055 360 G HN 0.463 nan 8.290 nan 0.000 0.424 361 V N 2.610 122.485 119.914 -0.065 0.000 2.814 361 V HA 0.182 4.302 4.120 -0.001 0.000 0.298 361 V C 1.768 177.852 176.094 -0.017 0.000 1.195 361 V CA 1.992 64.261 62.300 -0.052 0.000 1.323 361 V CB -0.095 31.704 31.823 -0.040 0.000 0.842 361 V HN 1.713 nan 8.190 nan 0.000 0.494 362 G N 3.098 111.896 108.800 -0.005 0.000 2.194 362 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.236 362 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.236 362 G C 0.067 175.004 174.900 0.060 0.000 0.987 362 G CA 0.222 45.337 45.100 0.025 0.000 0.635 362 G HN 0.832 nan 8.290 nan 0.000 0.520 363 E N 0.312 120.558 120.200 0.077 0.000 2.249 363 E HA 0.566 4.915 4.350 -0.001 0.000 0.280 363 E C -0.086 176.680 176.600 0.277 0.000 1.016 363 E CA -0.592 55.905 56.400 0.160 0.000 0.830 363 E CB 1.755 31.558 29.700 0.171 0.000 1.081 363 E HN 0.377 nan 8.360 nan 0.000 0.395 364 V N 4.106 124.178 119.914 0.264 0.000 2.472 364 V HA 0.696 4.816 4.120 -0.001 0.000 0.290 364 V C 0.159 176.358 176.094 0.175 0.000 1.037 364 V CA -0.019 62.433 62.300 0.254 0.000 0.908 364 V CB 1.304 33.229 31.823 0.170 0.000 0.985 364 V HN 0.748 nan 8.190 nan 0.000 0.454 365 G N 5.445 114.191 108.800 -0.090 0.000 2.462 365 G HA2 0.511 4.470 3.960 -0.001 0.000 0.319 365 G HA3 0.511 4.470 3.960 -0.001 0.000 0.319 365 G C -0.333 174.346 174.900 -0.369 0.000 1.171 365 G CA -0.916 43.895 45.100 -0.482 0.000 0.920 365 G HN 0.859 nan 8.290 nan 0.000 0.499 366 R N -0.753 119.529 120.500 -0.363 0.000 2.738 366 R HA 0.497 4.836 4.340 -0.001 0.000 0.268 366 R C 0.436 176.629 176.300 -0.177 0.000 1.062 366 R CA 0.910 56.865 56.100 -0.242 0.000 1.158 366 R CB 0.660 30.832 30.300 -0.214 0.000 1.046 366 R HN 1.129 nan 8.270 nan 0.000 0.493 367 G N 1.886 110.647 108.800 -0.065 0.000 3.199 367 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.680 367 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.680 367 G C -0.727 174.319 174.900 0.242 0.000 1.197 367 G CA -0.999 44.141 45.100 0.066 0.000 1.143 367 G HN 0.407 nan 8.290 nan 0.000 0.492 368 I N 1.585 122.277 120.570 0.204 0.000 2.437 368 I HA 0.764 4.934 4.170 -0.001 0.000 0.298 368 I C 0.696 176.946 176.117 0.222 0.000 0.984 368 I CA -0.541 60.902 61.300 0.239 0.000 1.214 368 I CB 2.021 40.101 38.000 0.133 0.000 1.365 368 I HN 0.880 nan 8.210 nan 0.000 0.469 369 A N 5.539 128.443 122.820 0.140 0.000 2.414 369 A HA 0.710 5.030 4.320 -0.001 0.000 0.306 369 A C -1.097 176.519 177.584 0.054 0.000 1.054 369 A CA -0.615 51.370 52.037 -0.086 0.000 0.724 369 A CB 1.458 20.019 19.000 -0.731 0.000 1.267 369 A HN 0.603 nan 8.150 nan 0.000 0.418 370 L N 1.480 122.721 121.223 0.030 0.000 2.416 370 L HA 0.552 4.892 4.340 -0.001 0.000 0.272 370 L C 0.020 176.770 176.870 -0.200 0.000 1.161 370 L CA 1.159 55.941 54.840 -0.098 0.000 0.845 370 L CB 0.841 42.820 42.059 -0.133 0.000 1.119 370 L HN 0.695 nan 8.230 nan 0.000 0.464 371 T N 6.105 120.485 114.554 -0.290 0.000 2.841 371 T HA 0.579 4.929 4.350 -0.001 0.000 0.283 371 T C -0.549 173.956 174.700 -0.324 0.000 1.000 371 T CA -0.471 61.474 62.100 -0.258 0.000 0.977 371 T CB 1.157 69.881 68.868 -0.240 0.000 0.979 371 T HN 0.450 nan 8.240 nan 0.000 0.446 372 L N 3.099 124.186 121.223 -0.227 0.000 2.365 372 L HA 0.634 4.974 4.340 -0.001 0.000 0.273 372 L C -1.028 175.873 176.870 0.052 0.000 1.000 372 L CA -0.866 53.883 54.840 -0.151 0.000 0.819 372 L CB 1.607 43.619 42.059 -0.078 0.000 1.284 372 L HN 0.613 nan 8.230 nan 0.000 0.418 373 F N 1.739 121.713 119.950 0.040 0.000 2.508 373 F HA 0.418 4.944 4.527 -0.001 0.000 0.325 373 F C 0.106 175.924 175.800 0.029 0.000 1.090 373 F CA -0.909 57.103 58.000 0.021 0.000 0.945 373 F CB 2.217 41.249 39.000 0.052 0.000 1.156 373 F HN 0.473 nan 8.300 nan 0.000 0.463 374 N N 3.966 122.799 118.700 0.222 0.000 2.577 374 N HA 0.458 5.197 4.740 -0.001 0.000 0.275 374 N C -1.760 173.802 175.510 0.087 0.000 1.091 374 N CA -0.537 52.591 53.050 0.130 0.000 0.843 374 N CB 1.619 40.166 38.487 0.100 0.000 1.295 374 N HN 0.265 nan 8.380 nan 0.000 0.530 375 L N 0.561 121.830 121.223 0.076 0.000 2.279 375 L HA 0.838 5.177 4.340 -0.001 0.000 0.262 375 L C 0.355 177.250 176.870 0.041 0.000 1.019 375 L CA -1.299 53.565 54.840 0.041 0.000 0.823 375 L CB 0.283 42.353 42.059 0.018 0.000 1.358 375 L HN 0.238 nan 8.230 nan 0.000 0.432 376 A N -0.530 122.307 122.820 0.028 0.000 2.407 376 A HA 0.298 4.618 4.320 -0.001 0.000 0.248 376 A C 0.635 178.238 177.584 0.031 0.000 1.082 376 A CA -0.288 51.766 52.037 0.029 0.000 0.785 376 A CB -0.134 18.878 19.000 0.020 0.000 1.020 376 A HN 0.851 nan 8.150 nan 0.000 0.489 377 D N 1.550 121.971 120.400 0.034 0.000 2.311 377 D HA -0.126 4.514 4.640 -0.001 0.000 0.212 377 D C 1.608 177.926 176.300 0.030 0.000 0.972 377 D CA 1.952 55.973 54.000 0.036 0.000 0.887 377 D CB -0.391 40.431 40.800 0.037 0.000 0.915 377 D HN 0.646 nan 8.370 nan 0.000 0.497 378 T N 1.632 116.201 114.554 0.025 0.000 2.674 378 T HA -0.092 4.258 4.350 -0.001 0.000 0.265 378 T C 2.253 176.965 174.700 0.021 0.000 1.039 378 T CA 0.721 62.834 62.100 0.021 0.000 1.150 378 T CB -0.302 68.576 68.868 0.016 0.000 0.864 378 T HN 0.205 nan 8.240 nan 0.000 0.427 379 L N 0.633 121.868 121.223 0.019 0.000 2.376 379 L HA 0.114 4.453 4.340 -0.001 0.000 0.219 379 L C 2.383 179.269 176.870 0.026 0.000 1.133 379 L CA 0.431 55.282 54.840 0.018 0.000 0.816 379 L CB -0.964 41.099 42.059 0.007 0.000 0.933 379 L HN 0.200 nan 8.230 nan 0.000 0.449 380 L N 0.686 121.929 121.223 0.033 0.000 2.051 380 L HA -0.214 4.125 4.340 -0.001 0.000 0.214 380 L C 2.740 179.634 176.870 0.040 0.000 1.076 380 L CA 1.688 56.554 54.840 0.043 0.000 0.758 380 L CB -1.259 40.827 42.059 0.045 0.000 0.890 380 L HN 0.398 nan 8.230 nan 0.000 0.433 381 G N -0.475 108.346 108.800 0.034 0.000 2.442 381 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.219 381 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.219 381 G C 1.258 176.181 174.900 0.038 0.000 1.141 381 G CA 0.669 45.789 45.100 0.033 0.000 0.763 381 G HN 0.508 nan 8.290 nan 0.000 0.554 382 G N -0.107 108.716 108.800 0.039 0.000 3.414 382 G HA2 0.440 4.399 3.960 -0.001 0.000 0.258 382 G HA3 0.440 4.399 3.960 -0.001 0.000 0.258 382 G C -0.145 174.782 174.900 0.045 0.000 1.348 382 G CA -0.423 44.707 45.100 0.050 0.000 1.319 382 G HN 0.321 nan 8.290 nan 0.000 0.555 383 L N 1.433 122.681 121.223 0.040 0.000 2.341 383 L HA 0.419 4.759 4.340 -0.001 0.000 0.278 383 L C -1.759 175.132 176.870 0.035 0.000 1.005 383 L CA -2.145 52.717 54.840 0.035 0.000 0.818 383 L CB 2.764 44.858 42.059 0.057 0.000 1.259 383 L HN 0.058 nan 8.230 nan 0.000 0.418 384 P HA 0.097 nan 4.420 nan 0.000 0.271 384 P C 0.321 177.645 177.300 0.039 0.000 1.233 384 P CA -0.334 62.776 63.100 0.017 0.000 0.789 384 P CB 0.809 32.500 31.700 -0.014 0.000 0.951 385 T N 0.440 115.015 114.554 0.034 0.000 2.580 385 T HA -0.185 4.165 4.350 -0.001 0.000 0.265 385 T C 1.594 176.322 174.700 0.046 0.000 1.063 385 T CA 1.641 63.762 62.100 0.035 0.000 1.170 385 T CB -0.676 68.208 68.868 0.026 0.000 0.863 385 T HN 0.539 nan 8.240 nan 0.000 0.418 386 E N 0.557 120.787 120.200 0.051 0.000 2.208 386 E HA -0.161 4.189 4.350 -0.001 0.000 0.202 386 E C 2.183 178.861 176.600 0.129 0.000 1.014 386 E CA 0.891 57.333 56.400 0.070 0.000 0.819 386 E CB -0.245 29.500 29.700 0.075 0.000 0.735 386 E HN 0.353 nan 8.360 nan 0.000 0.469 387 L N 0.297 121.621 121.223 0.168 0.000 2.068 387 L HA -0.096 4.243 4.340 -0.001 0.000 0.204 387 L C 2.457 179.474 176.870 0.245 0.000 1.076 387 L CA 0.703 55.736 54.840 0.322 0.000 0.753 387 L CB -0.457 41.742 42.059 0.234 0.000 0.910 387 L HN 0.225 nan 8.230 nan 0.000 0.439 388 I N -0.077 120.569 120.570 0.126 0.000 2.493 388 I HA -0.181 3.989 4.170 -0.001 0.000 0.254 388 I C 2.447 178.568 176.117 0.007 0.000 1.160 388 I CA 1.089 62.433 61.300 0.074 0.000 1.445 388 I CB -0.360 37.673 38.000 0.054 0.000 1.086 388 I HN 0.149 nan 8.210 nan 0.000 0.433 389 S N -0.300 115.392 115.700 -0.012 0.000 2.428 389 S HA -0.056 4.413 4.470 -0.001 0.000 0.230 389 S C 1.371 175.881 174.600 -0.150 0.000 1.014 389 S CA 0.400 58.563 58.200 -0.062 0.000 0.957 389 S CB -0.151 63.024 63.200 -0.043 0.000 0.784 389 S HN 0.351 nan 8.310 nan 0.000 0.499 390 S N 1.346 116.910 115.700 -0.227 0.000 3.919 390 S HA 0.502 4.972 4.470 -0.001 0.000 0.245 390 S C 0.411 174.716 174.600 -0.492 0.000 1.344 390 S CA 0.154 58.077 58.200 -0.462 0.000 0.896 390 S CB -0.876 61.827 63.200 -0.828 0.000 1.557 390 S HN 0.627 nan 8.310 nan 0.000 0.468 391 A N 2.751 125.368 122.820 -0.338 0.000 2.734 391 A HA -0.009 4.311 4.320 -0.001 0.000 0.296 391 A C 1.298 178.791 177.584 -0.152 0.000 1.474 391 A CA 0.785 52.657 52.037 -0.276 0.000 0.735 391 A CB -2.253 16.540 19.000 -0.344 0.000 1.062 391 A HN 2.177 nan 8.150 nan 0.000 0.463 392 G N -1.343 107.402 108.800 -0.092 0.000 2.283 392 G HA2 0.285 4.244 3.960 -0.001 0.000 0.280 392 G HA3 0.285 4.244 3.960 -0.001 0.000 0.280 392 G C 1.424 176.353 174.900 0.048 0.000 1.029 392 G CA 1.097 46.191 45.100 -0.011 0.000 0.840 392 G HN 3.122 nan 8.290 nan 0.000 0.505 393 G N -1.568 107.266 108.800 0.056 0.000 2.370 393 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.295 393 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.295 393 G C 0.428 175.550 174.900 0.371 0.000 1.045 393 G CA 1.111 46.391 45.100 0.300 0.000 1.199 393 G HN 1.178 nan 8.290 nan 0.000 0.513 394 Q N -1.699 118.182 119.800 0.135 0.000 2.106 394 Q HA 0.228 4.567 4.340 -0.001 0.000 0.230 394 Q C 0.426 176.342 176.000 -0.141 0.000 0.720 394 Q CA -0.179 55.684 55.803 0.101 0.000 0.899 394 Q CB 0.867 29.616 28.738 0.018 0.000 1.232 394 Q HN 0.537 nan 8.270 nan 0.000 0.461 395 L N 1.568 122.498 121.223 -0.488 0.000 2.324 395 L HA 0.523 4.862 4.340 -0.001 0.000 0.274 395 L C -1.461 174.832 176.870 -0.962 0.000 1.012 395 L CA -0.303 54.176 54.840 -0.601 0.000 0.859 395 L CB 0.483 42.229 42.059 -0.523 0.000 1.224 395 L HN -0.125 nan 8.230 nan 0.000 0.429 396 F N 2.961 122.531 119.950 -0.634 0.000 2.740 396 F HA 0.620 5.147 4.527 -0.001 0.000 0.357 396 F C -0.838 174.555 175.800 -0.678 0.000 1.141 396 F CA -0.906 56.760 58.000 -0.557 0.000 1.044 396 F CB 1.225 39.971 39.000 -0.425 0.000 1.430 396 F HN 0.111 nan 8.300 nan 0.000 0.518 397 Y N -0.280 120.103 120.300 0.138 0.000 2.499 397 Y HA 0.606 5.156 4.550 -0.001 0.000 0.347 397 Y C -0.130 175.938 175.900 0.279 0.000 0.987 397 Y CA -0.809 57.348 58.100 0.095 0.000 1.044 397 Y CB 2.373 40.841 38.460 0.014 0.000 1.245 397 Y HN 0.571 nan 8.280 nan 0.000 0.461 398 S N 1.891 117.838 115.700 0.412 0.000 2.651 398 S HA 0.858 5.327 4.470 -0.001 0.000 0.279 398 S C -1.223 173.711 174.600 0.557 0.000 1.148 398 S CA -1.258 57.240 58.200 0.496 0.000 0.837 398 S CB 2.716 66.108 63.200 0.319 0.000 1.138 398 S HN 0.705 nan 8.310 nan 0.000 0.478 399 R N 0.409 121.264 120.500 0.591 0.000 2.771 399 R HA 0.611 4.951 4.340 -0.001 0.000 0.274 399 R C -3.065 173.370 176.300 0.224 0.000 0.987 399 R CA -2.361 53.997 56.100 0.429 0.000 0.908 399 R CB 2.133 32.613 30.300 0.300 0.000 1.213 399 R HN 0.496 nan 8.270 nan 0.000 0.468 400 P HA 0.102 nan 4.420 nan 0.000 0.271 400 P C -0.723 176.664 177.300 0.145 0.000 1.216 400 P CA -0.070 62.920 63.100 -0.182 0.000 0.771 400 P CB 1.072 32.422 31.700 -0.584 0.000 0.864 401 V N 2.972 123.014 119.914 0.213 0.000 3.049 401 V HA 0.365 4.485 4.120 -0.001 0.000 0.309 401 V C 0.140 176.299 176.094 0.108 0.000 1.148 401 V CA -1.076 61.360 62.300 0.226 0.000 0.990 401 V CB 2.301 34.206 31.823 0.137 0.000 1.039 401 V HN 0.389 nan 8.190 nan 0.000 0.430 402 V N -0.067 119.853 119.914 0.010 0.000 2.328 402 V HA 0.768 4.887 4.120 -0.001 0.000 0.278 402 V C 0.054 176.124 176.094 -0.040 0.000 1.021 402 V CA -0.227 62.017 62.300 -0.093 0.000 0.838 402 V CB 0.983 32.660 31.823 -0.244 0.000 0.999 402 V HN 0.841 nan 8.190 nan 0.000 0.447 403 S N 3.912 119.599 115.700 -0.022 0.000 2.733 403 S HA 0.721 5.190 4.470 -0.001 0.000 0.307 403 S C 0.665 175.256 174.600 -0.015 0.000 1.127 403 S CA 0.637 58.830 58.200 -0.011 0.000 1.097 403 S CB 0.843 64.046 63.200 0.006 0.000 1.003 403 S HN 2.254 nan 8.310 nan 0.000 0.477 404 A N 4.514 127.322 122.820 -0.020 0.000 5.149 404 A HA -0.294 4.025 4.320 -0.001 0.000 0.344 404 A C 0.448 178.019 177.584 -0.022 0.000 1.715 404 A CA 1.583 53.609 52.037 -0.019 0.000 0.700 404 A CB -2.359 16.635 19.000 -0.011 0.000 1.461 404 A HN 1.366 nan 8.150 nan 0.000 0.399 405 N N 2.538 121.230 118.700 -0.014 0.000 2.219 405 N HA 0.205 4.945 4.740 -0.001 0.000 0.263 405 N C 0.565 176.066 175.510 -0.016 0.000 1.269 405 N CA 0.829 53.872 53.050 -0.012 0.000 0.831 405 N CB -0.116 38.369 38.487 -0.004 0.000 1.059 405 N HN 1.532 nan 8.380 nan 0.000 0.475 406 G N 1.687 110.475 108.800 -0.019 0.000 3.180 406 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.246 406 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.246 406 G C -0.025 174.870 174.900 -0.008 0.000 0.939 406 G CA -0.321 44.764 45.100 -0.026 0.000 1.920 406 G HN 0.709 nan 8.290 nan 0.000 0.612 407 E N 0.179 120.381 120.200 0.003 0.000 2.263 407 E HA 0.259 4.608 4.350 -0.001 0.000 0.264 407 E C -2.654 173.972 176.600 0.044 0.000 0.923 407 E CA -2.302 54.114 56.400 0.026 0.000 0.802 407 E CB 1.989 31.706 29.700 0.028 0.000 1.228 407 E HN -0.040 nan 8.360 nan 0.000 0.417 408 P HA 0.013 nan 4.420 nan 0.000 0.261 408 P C -1.283 176.085 177.300 0.113 0.000 1.203 408 P CA 0.530 63.695 63.100 0.109 0.000 0.767 408 P CB 0.301 32.086 31.700 0.141 0.000 0.785 409 T N 2.264 116.885 114.554 0.112 0.000 3.071 409 T HA 0.471 4.820 4.350 -0.001 0.000 0.311 409 T C -0.227 174.552 174.700 0.130 0.000 1.042 409 T CA -0.638 61.526 62.100 0.107 0.000 1.028 409 T CB 1.153 70.061 68.868 0.067 0.000 1.068 409 T HN 0.171 nan 8.240 nan 0.000 0.451 410 V N 0.152 120.158 119.914 0.154 0.000 3.019 410 V HA 0.780 4.899 4.120 -0.001 0.000 0.317 410 V C -0.344 175.822 176.094 0.119 0.000 1.094 410 V CA -1.238 61.175 62.300 0.189 0.000 1.000 410 V CB 1.936 33.945 31.823 0.311 0.000 1.060 410 V HN 0.833 nan 8.190 nan 0.000 0.443 411 K N 1.472 121.942 120.400 0.117 0.000 2.185 411 K HA 0.615 4.935 4.320 -0.001 0.000 0.269 411 K C -1.253 175.235 176.600 -0.187 0.000 0.987 411 K CA -0.785 55.467 56.287 -0.059 0.000 0.865 411 K CB 1.601 34.053 32.500 -0.080 0.000 1.090 411 K HN 0.699 nan 8.250 nan 0.000 0.450 412 L N 4.517 125.560 121.223 -0.299 0.000 2.375 412 L HA 0.402 4.741 4.340 -0.001 0.000 0.271 412 L C -1.369 175.215 176.870 -0.476 0.000 1.107 412 L CA 0.118 54.816 54.840 -0.237 0.000 0.806 412 L CB 0.540 42.495 42.059 -0.173 0.000 1.146 412 L HN 0.582 nan 8.230 nan 0.000 0.447 413 Y N 0.900 121.298 120.300 0.164 0.000 2.588 413 Y HA 0.366 4.915 4.550 -0.001 0.000 0.343 413 Y C 1.098 177.156 175.900 0.264 0.000 1.065 413 Y CA -0.768 57.444 58.100 0.186 0.000 1.038 413 Y CB 1.640 40.198 38.460 0.163 0.000 1.297 413 Y HN 0.571 nan 8.280 nan 0.000 0.467 414 T N -0.646 114.123 114.554 0.358 0.000 2.852 414 T HA 0.007 4.357 4.350 -0.001 0.000 0.256 414 T C 0.594 175.415 174.700 0.203 0.000 1.038 414 T CA 1.194 63.414 62.100 0.200 0.000 1.141 414 T CB -0.124 68.810 68.868 0.111 0.000 0.869 414 T HN 0.611 nan 8.240 nan 0.000 0.439 415 S N -0.304 115.523 115.700 0.212 0.000 2.709 415 S HA 0.516 4.985 4.470 -0.001 0.000 0.302 415 S C 1.056 175.557 174.600 -0.166 0.000 1.127 415 S CA -0.793 57.478 58.200 0.119 0.000 0.905 415 S CB 1.531 64.730 63.200 -0.002 0.000 1.151 415 S HN -0.105 nan 8.310 nan 0.000 0.510 416 V N 1.289 120.851 119.914 -0.586 0.000 2.548 416 V HA -0.059 4.060 4.120 -0.001 0.000 0.249 416 V C 2.754 178.634 176.094 -0.356 0.000 1.055 416 V CA 1.816 63.662 62.300 -0.757 0.000 1.065 416 V CB -0.893 30.443 31.823 -0.812 0.000 0.681 416 V HN 0.873 nan 8.190 nan 0.000 0.462 417 E N 0.420 120.488 120.200 -0.219 0.000 2.072 417 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 417 E C 2.122 178.650 176.600 -0.120 0.000 0.985 417 E CA 1.010 57.330 56.400 -0.133 0.000 0.801 417 E CB -0.232 29.422 29.700 -0.077 0.000 0.750 417 E HN 0.578 nan 8.360 nan 0.000 0.452 418 N N 0.808 119.462 118.700 -0.077 0.000 2.149 418 N HA -0.155 4.585 4.740 -0.001 0.000 0.188 418 N C 1.726 177.133 175.510 -0.170 0.000 1.019 418 N CA 1.287 54.339 53.050 0.003 0.000 0.857 418 N CB -0.315 38.266 38.487 0.157 0.000 0.997 418 N HN 0.126 nan 8.380 nan 0.000 0.426 419 A N 1.293 123.821 122.820 -0.486 0.000 1.898 419 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 419 A C 2.144 179.366 177.584 -0.604 0.000 1.181 419 A CA 1.094 52.429 52.037 -1.170 0.000 0.620 419 A CB -0.473 18.019 19.000 -0.848 0.000 0.819 419 A HN 0.320 nan 8.150 nan 0.000 0.442 420 Q N -0.775 118.828 119.800 -0.329 0.000 2.167 420 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 420 Q C 1.415 177.332 176.000 -0.139 0.000 0.970 420 Q CA 1.361 57.046 55.803 -0.195 0.000 0.855 420 Q CB -0.086 28.572 28.738 -0.134 0.000 0.911 420 Q HN 0.739 nan 8.270 nan 0.000 0.438 421 Q N 0.391 120.123 119.800 -0.112 0.000 2.220 421 Q HA 0.016 4.355 4.340 -0.001 0.000 0.205 421 Q C -0.800 175.203 176.000 0.005 0.000 0.865 421 Q CA -0.229 55.547 55.803 -0.045 0.000 0.960 421 Q CB 0.575 29.299 28.738 -0.024 0.000 1.097 421 Q HN 0.183 nan 8.270 nan 0.000 0.493 422 D N 1.391 121.793 120.400 0.003 0.000 2.904 422 D HA -0.187 4.453 4.640 -0.001 0.000 0.231 422 D C 0.108 176.562 176.300 0.257 0.000 1.185 422 D CA 0.845 54.972 54.000 0.211 0.000 0.783 422 D CB -0.438 40.449 40.800 0.144 0.000 0.961 422 D HN 0.217 nan 8.370 nan 0.000 0.409 423 K N 0.431 121.020 120.400 0.315 0.000 2.355 423 K HA 0.300 4.619 4.320 -0.001 0.000 0.198 423 K C 1.481 178.187 176.600 0.176 0.000 1.039 423 K CA 0.257 56.664 56.287 0.199 0.000 1.075 423 K CB 0.440 33.023 32.500 0.139 0.000 0.870 423 K HN 0.519 nan 8.250 nan 0.000 0.540 424 G N 2.295 111.225 108.800 0.217 0.000 2.719 424 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.454 424 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.454 424 G C -0.175 174.696 174.900 -0.049 0.000 1.353 424 G CA -0.302 44.688 45.100 -0.183 0.000 0.923 424 G HN 0.227 nan 8.290 nan 0.000 0.554 425 I N 0.060 120.569 120.570 -0.102 0.000 2.404 425 I HA 0.341 4.511 4.170 -0.001 0.000 0.293 425 I C 0.369 176.463 176.117 -0.038 0.000 0.992 425 I CA -0.613 60.671 61.300 -0.027 0.000 1.149 425 I CB 2.098 40.094 38.000 -0.007 0.000 1.315 425 I HN 0.415 nan 8.210 nan 0.000 0.446 426 T N 7.087 121.633 114.554 -0.014 0.000 2.747 426 T HA 0.516 4.865 4.350 -0.001 0.000 0.301 426 T C 0.054 174.735 174.700 -0.032 0.000 0.952 426 T CA -0.294 61.795 62.100 -0.019 0.000 0.983 426 T CB -0.182 68.684 68.868 -0.003 0.000 0.930 426 T HN 0.292 nan 8.240 nan 0.000 0.494 427 I N 4.144 124.680 120.570 -0.055 0.000 2.498 427 I HA 0.368 4.537 4.170 -0.001 0.000 0.301 427 I C -1.307 174.759 176.117 -0.085 0.000 0.984 427 I CA -2.815 58.426 61.300 -0.097 0.000 1.204 427 I CB 1.737 39.651 38.000 -0.143 0.000 1.362 427 I HN 0.279 nan 8.210 nan 0.000 0.471 428 P HA -0.051 nan 4.420 nan 0.000 0.221 428 P C -0.096 177.251 177.300 0.077 0.000 1.155 428 P CA 1.589 64.697 63.100 0.013 0.000 0.812 428 P CB 0.216 31.980 31.700 0.106 0.000 0.801 429 H N -2.834 116.232 119.070 -0.006 0.000 2.928 429 H HA 0.360 4.916 4.556 -0.001 0.000 0.285 429 H C -1.059 174.260 175.328 -0.015 0.000 1.438 429 H CA -0.821 55.221 56.048 -0.009 0.000 1.176 429 H CB -0.243 29.514 29.762 -0.008 0.000 1.864 429 H HN -0.254 nan 8.280 nan 0.000 0.567 430 D N 1.226 121.690 120.400 0.107 0.000 2.424 430 D HA 0.180 4.819 4.640 -0.001 0.000 0.244 430 D C 0.381 176.696 176.300 0.026 0.000 1.134 430 D CA 0.097 54.110 54.000 0.022 0.000 0.881 430 D CB 1.109 41.933 40.800 0.040 0.000 1.191 430 D HN 0.239 nan 8.370 nan 0.000 0.445 431 I N 1.931 122.463 120.570 -0.062 0.000 2.354 431 I HA 0.103 4.273 4.170 -0.001 0.000 0.292 431 I C 0.343 176.432 176.117 -0.046 0.000 0.989 431 I CA -0.697 60.569 61.300 -0.056 0.000 1.188 431 I CB 1.284 39.215 38.000 -0.115 0.000 1.342 431 I HN 0.180 nan 8.210 nan 0.000 0.457 432 D N 5.869 126.261 120.400 -0.014 0.000 2.308 432 D HA 0.283 4.923 4.640 -0.001 0.000 0.251 432 D C 0.670 176.937 176.300 -0.055 0.000 1.127 432 D CA 0.005 53.988 54.000 -0.029 0.000 0.876 432 D CB 1.221 42.017 40.800 -0.007 0.000 1.176 432 D HN 0.428 nan 8.370 nan 0.000 0.446 433 L N 2.663 123.838 121.223 -0.079 0.000 2.638 433 L HA 0.339 4.678 4.340 -0.001 0.000 0.232 433 L C 1.591 178.428 176.870 -0.055 0.000 1.099 433 L CA 0.037 54.815 54.840 -0.103 0.000 0.883 433 L CB -0.569 41.370 42.059 -0.200 0.000 1.136 433 L HN 0.658 nan 8.230 nan 0.000 0.492 434 G N 0.910 109.686 108.800 -0.041 0.000 2.633 434 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.263 434 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.263 434 G C -0.328 174.555 174.900 -0.027 0.000 1.310 434 G CA -0.363 44.718 45.100 -0.031 0.000 0.914 434 G HN 0.273 nan 8.290 nan 0.000 0.569 435 D N 1.607 121.993 120.400 -0.023 0.000 2.402 435 D HA 0.391 5.030 4.640 -0.001 0.000 0.268 435 D C 0.786 177.097 176.300 0.018 0.000 1.294 435 D CA 1.492 55.483 54.000 -0.016 0.000 0.945 435 D CB 0.066 40.859 40.800 -0.013 0.000 1.112 435 D HN 0.825 nan 8.370 nan 0.000 0.517 436 S N 2.452 118.191 115.700 0.065 0.000 2.595 436 S HA 0.539 5.009 4.470 -0.001 0.000 0.281 436 S C -0.369 174.352 174.600 0.201 0.000 1.117 436 S CA -1.187 57.076 58.200 0.105 0.000 0.873 436 S CB 2.828 66.055 63.200 0.044 0.000 1.108 436 S HN 0.443 nan 8.310 nan 0.000 0.477 437 R N 1.323 121.900 120.500 0.129 0.000 2.265 437 R HA 0.663 5.002 4.340 -0.001 0.000 0.328 437 R C -1.699 174.655 176.300 0.091 0.000 0.969 437 R CA -0.458 55.717 56.100 0.125 0.000 0.832 437 R CB 0.752 31.111 30.300 0.099 0.000 1.139 437 R HN 0.589 nan 8.270 nan 0.000 0.457 438 V N 5.433 125.352 119.914 0.009 0.000 2.513 438 V HA 0.463 4.582 4.120 -0.001 0.000 0.299 438 V C -0.385 175.738 176.094 0.049 0.000 1.035 438 V CA -0.657 61.646 62.300 0.006 0.000 0.889 438 V CB 1.973 33.636 31.823 -0.266 0.000 0.988 438 V HN 0.527 nan 8.190 nan 0.000 0.440 439 V N 5.434 125.384 119.914 0.060 0.000 2.769 439 V HA 0.586 4.706 4.120 -0.001 0.000 0.312 439 V C -0.483 175.601 176.094 -0.018 0.000 1.061 439 V CA -0.578 61.744 62.300 0.037 0.000 0.931 439 V CB 2.250 34.089 31.823 0.027 0.000 1.010 439 V HN 0.666 nan 8.190 nan 0.000 0.433 440 I N 3.172 123.726 120.570 -0.026 0.000 2.476 440 I HA 0.417 4.586 4.170 -0.001 0.000 0.281 440 I C -0.523 175.481 176.117 -0.188 0.000 1.040 440 I CA -0.272 60.947 61.300 -0.135 0.000 1.094 440 I CB 1.843 39.752 38.000 -0.152 0.000 1.219 440 I HN 0.634 nan 8.210 nan 0.000 0.450 441 Q N 4.047 123.730 119.800 -0.194 0.000 2.266 441 Q HA 0.323 4.663 4.340 -0.001 0.000 0.261 441 Q C -1.042 174.854 176.000 -0.173 0.000 0.985 441 Q CA -0.916 54.791 55.803 -0.160 0.000 0.873 441 Q CB 2.422 31.090 28.738 -0.118 0.000 1.306 441 Q HN 0.392 nan 8.270 nan 0.000 0.447 442 D N 1.343 121.658 120.400 -0.143 0.000 2.343 442 D HA 0.002 4.641 4.640 -0.001 0.000 0.255 442 D C -0.302 176.004 176.300 0.010 0.000 1.187 442 D CA 0.461 54.400 54.000 -0.102 0.000 0.875 442 D CB 0.830 41.566 40.800 -0.107 0.000 1.136 442 D HN 0.566 nan 8.370 nan 0.000 0.469 443 Y N 2.068 122.330 120.300 -0.063 0.000 2.594 443 Y HA 0.087 4.636 4.550 -0.001 0.000 0.283 443 Y C 0.054 175.934 175.900 -0.033 0.000 1.140 443 Y CA 0.190 58.273 58.100 -0.028 0.000 1.261 443 Y CB 0.833 39.300 38.460 0.011 0.000 1.358 443 Y HN 0.192 nan 8.280 nan 0.000 0.513 444 D N 1.359 121.647 120.400 -0.186 0.000 2.408 444 D HA 0.115 4.754 4.640 -0.001 0.000 0.261 444 D C -1.386 174.879 176.300 -0.059 0.000 1.190 444 D CA -0.277 53.589 54.000 -0.224 0.000 0.910 444 D CB -0.090 40.628 40.800 -0.137 0.000 1.097 444 D HN 0.144 nan 8.370 nan 0.000 0.522 445 N N 2.381 121.038 118.700 -0.072 0.000 2.452 445 N HA -0.043 4.696 4.740 -0.001 0.000 0.266 445 N C 0.162 175.683 175.510 0.018 0.000 1.209 445 N CA 0.419 53.469 53.050 -0.000 0.000 0.929 445 N CB 1.132 39.598 38.487 -0.035 0.000 1.063 445 N HN 0.354 nan 8.380 nan 0.000 0.472 446 Q N 1.637 121.481 119.800 0.074 0.000 2.118 446 Q HA 0.109 4.449 4.340 -0.001 0.000 0.219 446 Q C -0.512 175.514 176.000 0.044 0.000 0.794 446 Q CA -0.395 55.424 55.803 0.027 0.000 1.035 446 Q CB -0.219 28.505 28.738 -0.024 0.000 1.177 446 Q HN 0.622 nan 8.270 nan 0.000 0.478 447 H N 0.984 120.059 119.070 0.010 0.000 2.998 447 H HA -0.061 4.495 4.556 -0.001 0.000 0.353 447 H C 0.577 175.905 175.328 -0.000 0.000 1.099 447 H CA 1.481 57.538 56.048 0.015 0.000 1.393 447 H CB 0.979 30.764 29.762 0.039 0.000 1.343 447 H HN 0.345 nan 8.280 nan 0.000 0.609 448 E N 2.228 122.320 120.200 -0.180 0.000 2.035 448 E HA -0.282 4.067 4.350 -0.001 0.000 0.204 448 E C 1.671 178.378 176.600 0.178 0.000 1.025 448 E CA 1.819 58.220 56.400 0.003 0.000 0.835 448 E CB -0.055 29.598 29.700 -0.078 0.000 0.764 448 E HN 0.744 nan 8.360 nan 0.000 0.457 449 Q N 0.190 120.213 119.800 0.372 0.000 2.320 449 Q HA 0.036 4.376 4.340 -0.001 0.000 0.201 449 Q C 0.459 176.509 176.000 0.084 0.000 0.910 449 Q CA 0.266 56.177 55.803 0.179 0.000 0.946 449 Q CB 0.463 29.285 28.738 0.141 0.000 1.062 449 Q HN 0.096 nan 8.270 nan 0.000 0.503 450 D N 1.540 122.002 120.400 0.105 0.000 2.323 450 D HA 0.007 4.646 4.640 -0.001 0.000 0.209 450 D C 0.174 176.465 176.300 -0.016 0.000 0.973 450 D CA 0.538 54.525 54.000 -0.022 0.000 0.874 450 D CB 0.327 41.093 40.800 -0.056 0.000 0.930 450 D HN 0.136 nan 8.370 nan 0.000 0.521 451 R N 1.508 122.015 120.500 0.012 0.000 2.587 451 R HA 0.211 4.551 4.340 -0.001 0.000 0.283 451 R C -2.153 174.140 176.300 -0.013 0.000 1.472 451 R CA -1.191 54.901 56.100 -0.014 0.000 1.578 451 R CB 1.105 31.397 30.300 -0.013 0.000 1.130 451 R HN 0.015 nan 8.270 nan 0.000 0.602 452 P HA 0.121 nan 4.420 nan 0.000 0.296 452 P C -0.561 176.722 177.300 -0.028 0.000 1.295 452 P CA -0.241 62.846 63.100 -0.021 0.000 0.754 452 P CB 0.545 32.230 31.700 -0.026 0.000 1.311 453 T N 0.822 115.360 114.554 -0.028 0.000 2.837 453 T HA 0.383 4.732 4.350 -0.001 0.000 0.285 453 T C -2.165 172.511 174.700 -0.039 0.000 0.984 453 T CA -0.800 61.281 62.100 -0.031 0.000 1.049 453 T CB 0.049 68.900 68.868 -0.027 0.000 0.947 453 T HN 0.305 nan 8.240 nan 0.000 0.472 454 P HA 0.094 nan 4.420 nan 0.000 0.264 454 P C 0.645 177.916 177.300 -0.048 0.000 1.179 454 P CA 0.097 63.166 63.100 -0.052 0.000 0.763 454 P CB 0.431 32.100 31.700 -0.052 0.000 0.806 455 S N 4.032 119.700 115.700 -0.053 0.000 2.370 455 S HA -0.122 4.347 4.470 -0.001 0.000 0.226 455 S C -0.305 174.271 174.600 -0.040 0.000 1.033 455 S CA 1.583 59.755 58.200 -0.047 0.000 1.011 455 S CB -1.673 61.496 63.200 -0.051 0.000 0.852 455 S HN 0.644 nan 8.310 nan 0.000 0.457 456 P HA 0.104 nan 4.420 nan 0.000 0.216 456 P C 0.312 177.592 177.300 -0.032 0.000 1.153 456 P CA 0.893 63.972 63.100 -0.036 0.000 0.844 456 P CB -0.188 31.489 31.700 -0.038 0.000 0.787 457 A N 2.814 125.614 122.820 -0.033 0.000 2.488 457 A HA 0.320 4.640 4.320 -0.001 0.000 0.249 457 A C -1.811 175.756 177.584 -0.029 0.000 1.083 457 A CA -1.117 50.901 52.037 -0.031 0.000 0.768 457 A CB -0.981 18.000 19.000 -0.031 0.000 1.017 457 A HN 0.179 nan 8.150 nan 0.000 0.496 458 P HA 0.064 nan 4.420 nan 0.000 0.264 458 P C 0.198 177.482 177.300 -0.027 0.000 1.193 458 P CA 0.132 63.216 63.100 -0.027 0.000 0.763 458 P CB 0.506 32.190 31.700 -0.028 0.000 0.810 459 S N 3.629 119.314 115.700 -0.025 0.000 2.579 459 S HA 0.126 4.595 4.470 -0.001 0.000 0.275 459 S C 0.515 175.103 174.600 -0.021 0.000 1.345 459 S CA -0.706 57.481 58.200 -0.022 0.000 1.031 459 S CB 0.382 63.570 63.200 -0.019 0.000 0.892 459 S HN 0.384 nan 8.310 nan 0.000 0.529 460 R N 2.928 123.416 120.500 -0.019 0.000 2.561 460 R HA 0.071 4.411 4.340 -0.001 0.000 0.347 460 R C -1.532 174.759 176.300 -0.015 0.000 0.916 460 R CA -0.861 55.224 56.100 -0.024 0.000 1.063 460 R CB -0.245 30.041 30.300 -0.023 0.000 0.916 460 R HN 0.620 nan 8.270 nan 0.000 0.410 461 P HA -0.125 nan 4.420 nan 0.000 0.274 461 P C 0.267 177.575 177.300 0.014 0.000 1.264 461 P CA -0.052 63.044 63.100 -0.007 0.000 0.795 461 P CB 0.420 32.099 31.700 -0.036 0.000 1.064 462 F N 0.514 120.399 119.950 -0.107 0.000 2.234 462 F HA -0.058 4.469 4.527 -0.001 0.000 0.296 462 F C 2.248 177.951 175.800 -0.162 0.000 1.089 462 F CA 1.276 59.206 58.000 -0.117 0.000 1.343 462 F CB -0.744 38.177 39.000 -0.131 0.000 1.040 462 F HN 0.131 nan 8.300 nan 0.000 0.498 463 S N -0.191 115.351 115.700 -0.264 0.000 2.528 463 S HA -0.052 4.417 4.470 -0.001 0.000 0.244 463 S C 0.456 174.850 174.600 -0.344 0.000 0.982 463 S CA 0.642 58.620 58.200 -0.370 0.000 0.953 463 S CB -0.618 62.434 63.200 -0.247 0.000 0.754 463 S HN 0.033 nan 8.310 nan 0.000 0.529 464 V N 2.668 122.405 119.914 -0.295 0.000 2.378 464 V HA 0.518 4.638 4.120 -0.001 0.000 0.288 464 V C -0.659 175.293 176.094 -0.236 0.000 1.016 464 V CA -0.673 61.495 62.300 -0.220 0.000 0.840 464 V CB 1.102 32.843 31.823 -0.135 0.000 0.994 464 V HN 0.107 nan 8.190 nan 0.000 0.431 465 L N 5.326 126.416 121.223 -0.220 0.000 2.388 465 L HA 0.760 5.099 4.340 -0.001 0.000 0.264 465 L C 0.031 176.844 176.870 -0.096 0.000 0.998 465 L CA -0.491 54.246 54.840 -0.171 0.000 0.817 465 L CB 2.201 44.136 42.059 -0.208 0.000 1.338 465 L HN 0.492 nan 8.230 nan 0.000 0.414 466 R N 0.129 120.597 120.500 -0.053 0.000 3.076 466 R HA 0.898 5.237 4.340 -0.001 0.000 0.239 466 R C -0.609 175.693 176.300 0.003 0.000 1.392 466 R CA -1.074 55.012 56.100 -0.024 0.000 1.044 466 R CB 1.188 31.477 30.300 -0.017 0.000 1.389 466 R HN 0.745 nan 8.270 nan 0.000 0.498 467 A N 1.012 123.841 122.820 0.016 0.000 2.386 467 A HA 0.120 4.439 4.320 -0.001 0.000 0.246 467 A C 0.087 177.689 177.584 0.030 0.000 1.089 467 A CA -0.020 52.034 52.037 0.029 0.000 0.790 467 A CB -0.107 18.910 19.000 0.029 0.000 1.042 467 A HN 0.926 nan 8.150 nan 0.000 0.497 468 N N -0.653 118.070 118.700 0.038 0.000 2.765 468 N HA -0.153 4.586 4.740 -0.001 0.000 0.248 468 N C -0.686 174.852 175.510 0.047 0.000 1.063 468 N CA 1.441 54.515 53.050 0.041 0.000 0.862 468 N CB -1.112 37.395 38.487 0.032 0.000 1.145 468 N HN 0.739 nan 8.380 nan 0.000 0.581 469 D N 1.509 121.937 120.400 0.047 0.000 2.344 469 D HA 0.206 4.845 4.640 -0.001 0.000 0.253 469 D C 0.152 176.502 176.300 0.083 0.000 1.255 469 D CA -0.002 54.031 54.000 0.056 0.000 0.894 469 D CB 0.882 41.704 40.800 0.037 0.000 1.067 469 D HN -0.072 nan 8.370 nan 0.000 0.492 470 V N 4.894 124.862 119.914 0.090 0.000 2.521 470 V HA 0.140 4.260 4.120 -0.001 0.000 0.286 470 V C 0.883 177.064 176.094 0.144 0.000 1.034 470 V CA -0.186 62.179 62.300 0.109 0.000 1.045 470 V CB 0.536 32.422 31.823 0.105 0.000 0.974 470 V HN 0.307 nan 8.190 nan 0.000 0.480 471 L N 4.021 125.335 121.223 0.152 0.000 2.304 471 L HA 0.658 4.998 4.340 -0.001 0.000 0.268 471 L C -0.690 176.276 176.870 0.161 0.000 1.010 471 L CA -0.557 54.398 54.840 0.191 0.000 0.813 471 L CB 2.218 44.407 42.059 0.218 0.000 1.315 471 L HN 0.679 nan 8.230 nan 0.000 0.445 472 W N 3.119 124.350 121.300 -0.115 0.000 2.968 472 W HA 0.498 5.158 4.660 -0.001 0.000 0.337 472 W C -2.285 174.032 176.519 -0.336 0.000 1.060 472 W CA -0.742 56.467 57.345 -0.227 0.000 1.240 472 W CB 1.368 30.696 29.460 -0.221 0.000 1.370 472 W HN 0.238 nan 8.180 nan 0.000 0.459 473 L N 5.333 126.356 121.223 -0.333 0.000 2.298 473 L HA 0.361 4.700 4.340 -0.001 0.000 0.284 473 L C 0.502 177.233 176.870 -0.231 0.000 1.013 473 L CA -0.645 53.949 54.840 -0.411 0.000 0.824 473 L CB 1.674 43.307 42.059 -0.710 0.000 1.221 473 L HN 0.207 nan 8.230 nan 0.000 0.418 474 S N 4.707 120.400 115.700 -0.012 0.000 2.921 474 S HA 0.420 4.890 4.470 -0.001 0.000 0.244 474 S C 0.145 174.764 174.600 0.032 0.000 1.291 474 S CA -0.621 57.602 58.200 0.038 0.000 1.010 474 S CB -0.140 63.144 63.200 0.140 0.000 1.255 474 S HN 0.393 nan 8.310 nan 0.000 0.492 475 L N 2.922 124.144 121.223 -0.001 0.000 2.597 475 L HA 0.078 4.418 4.340 -0.001 0.000 0.271 475 L C 1.811 178.749 176.870 0.113 0.000 1.157 475 L CA -0.392 54.491 54.840 0.072 0.000 0.928 475 L CB -0.766 41.323 42.059 0.051 0.000 1.216 475 L HN 0.454 nan 8.230 nan 0.000 0.481 476 T N 2.856 117.482 114.554 0.120 0.000 2.152 476 T HA -0.326 4.023 4.350 -0.001 0.000 0.194 476 T C 1.007 175.772 174.700 0.109 0.000 1.715 476 T CA 2.130 64.291 62.100 0.103 0.000 1.135 476 T CB -0.176 68.749 68.868 0.096 0.000 0.856 476 T HN 0.899 nan 8.240 nan 0.000 0.393 477 A N -0.491 122.396 122.820 0.111 0.000 2.716 477 A HA 0.630 4.950 4.320 -0.001 0.000 0.206 477 A C 0.121 177.696 177.584 -0.015 0.000 1.811 477 A CA 0.222 52.306 52.037 0.079 0.000 1.537 477 A CB -0.518 18.511 19.000 0.048 0.000 0.975 477 A HN 0.819 nan 8.150 nan 0.000 0.698 478 A N 0.276 123.113 122.820 0.028 0.000 2.386 478 A HA 0.562 4.882 4.320 -0.001 0.000 0.246 478 A C 0.349 177.699 177.584 -0.389 0.000 1.089 478 A CA -0.007 52.002 52.037 -0.046 0.000 0.790 478 A CB 0.063 19.127 19.000 0.106 0.000 1.042 478 A HN 0.585 nan 8.150 nan 0.000 0.497 479 E N -0.687 119.352 120.200 -0.268 0.000 2.383 479 E HA 0.217 4.566 4.350 -0.001 0.000 0.264 479 E C -1.350 175.104 176.600 -0.242 0.000 1.050 479 E CA 0.528 56.721 56.400 -0.344 0.000 0.896 479 E CB 0.388 30.023 29.700 -0.109 0.000 0.982 479 E HN 0.578 nan 8.360 nan 0.000 0.424 480 Y N 1.535 121.914 120.300 0.133 0.000 2.726 480 Y HA 0.151 4.700 4.550 -0.001 0.000 0.367 480 Y C 0.217 176.139 175.900 0.037 0.000 1.038 480 Y CA -0.780 57.394 58.100 0.124 0.000 1.174 480 Y CB 0.476 39.112 38.460 0.294 0.000 1.265 480 Y HN 0.491 nan 8.280 nan 0.000 0.622 481 D N 0.581 121.072 120.400 0.150 0.000 2.317 481 D HA -0.096 4.544 4.640 -0.001 0.000 0.211 481 D C 0.301 176.659 176.300 0.097 0.000 0.966 481 D CA 0.730 54.791 54.000 0.102 0.000 0.876 481 D CB 0.220 41.069 40.800 0.081 0.000 0.927 481 D HN 0.529 nan 8.370 nan 0.000 0.519 482 Q N -0.788 119.064 119.800 0.086 0.000 2.451 482 Q HA -0.183 4.156 4.340 -0.001 0.000 0.284 482 Q C 0.495 176.569 176.000 0.123 0.000 1.326 482 Q CA 0.572 56.403 55.803 0.046 0.000 0.762 482 Q CB -2.275 26.448 28.738 -0.024 0.000 1.160 482 Q HN 0.107 nan 8.270 nan 0.000 0.419 483 T N -3.488 111.155 114.554 0.148 0.000 13.322 483 T HA -0.342 4.007 4.350 -0.001 0.000 0.419 483 T C 0.713 175.493 174.700 0.134 0.000 1.441 483 T CA 2.152 64.366 62.100 0.191 0.000 2.359 483 T CB -0.882 68.194 68.868 0.345 0.000 2.804 483 T HN 0.556 nan 8.240 nan 0.000 0.600 484 T N 0.455 115.070 114.554 0.102 0.000 3.823 484 T HA 0.489 4.839 4.350 -0.001 0.000 0.261 484 T C -0.077 174.665 174.700 0.071 0.000 0.983 484 T CA 0.370 62.472 62.100 0.003 0.000 1.151 484 T CB 0.581 69.341 68.868 -0.180 0.000 1.062 484 T HN 0.627 nan 8.240 nan 0.000 0.542 485 Y N 1.045 121.335 120.300 -0.017 0.000 2.765 485 Y HA -0.283 4.266 4.550 -0.001 0.000 0.475 485 Y C 0.402 176.308 175.900 0.010 0.000 1.140 485 Y CA 2.359 60.447 58.100 -0.019 0.000 2.801 485 Y CB -1.381 37.055 38.460 -0.040 0.000 1.100 485 Y HN 1.202 nan 8.280 nan 0.000 0.598 486 G N -0.295 108.251 108.800 -0.424 0.000 2.402 486 G HA2 0.425 4.384 3.960 -0.001 0.000 0.666 486 G HA3 0.425 4.384 3.960 -0.001 0.000 0.666 486 G C -0.005 174.559 174.900 -0.559 0.000 1.402 486 G CA 0.017 44.889 45.100 -0.379 0.000 0.920 486 G HN 1.014 nan 8.290 nan 0.000 0.651 487 S N -0.009 115.555 115.700 -0.226 0.000 2.465 487 S HA 0.204 4.673 4.470 -0.001 0.000 0.215 487 S C 2.659 177.141 174.600 -0.197 0.000 1.438 487 S CA 1.110 59.215 58.200 -0.158 0.000 1.223 487 S CB -0.581 62.581 63.200 -0.064 0.000 0.636 487 S HN 1.891 nan 8.310 nan 0.000 0.421 488 S N 0.861 116.499 115.700 -0.103 0.000 2.365 488 S HA -0.108 4.362 4.470 -0.001 0.000 0.221 488 S C 0.769 175.304 174.600 -0.109 0.000 1.037 488 S CA 1.442 59.601 58.200 -0.069 0.000 1.060 488 S CB -0.755 62.424 63.200 -0.036 0.000 0.974 488 S HN 0.579 nan 8.310 nan 0.000 0.427 489 T N 2.406 116.866 114.554 -0.157 0.000 3.226 489 T HA 0.490 4.840 4.350 -0.001 0.000 0.378 489 T C -0.915 173.608 174.700 -0.294 0.000 1.380 489 T CA -0.466 61.490 62.100 -0.238 0.000 1.396 489 T CB 0.276 68.918 68.868 -0.377 0.000 1.044 489 T HN 0.257 nan 8.240 nan 0.000 0.586 490 N N 3.250 121.776 118.700 -0.289 0.000 2.696 490 N HA 0.235 4.974 4.740 -0.001 0.000 0.308 490 N C -2.559 172.808 175.510 -0.239 0.000 1.915 490 N CA -1.322 51.581 53.050 -0.245 0.000 0.906 490 N CB 1.219 39.615 38.487 -0.151 0.000 1.284 490 N HN 0.299 nan 8.380 nan 0.000 0.488 491 P HA 0.086 nan 4.420 nan 0.000 0.230 491 P C -0.408 176.675 177.300 -0.360 0.000 1.791 491 P CA -0.288 62.623 63.100 -0.315 0.000 1.020 491 P CB 0.044 31.612 31.700 -0.219 0.000 1.977 492 M N 2.525 121.984 119.600 -0.236 0.000 3.254 492 M HA 0.153 4.633 4.480 -0.001 0.000 0.257 492 M C -0.395 175.867 176.300 -0.064 0.000 1.490 492 M CA -0.693 54.542 55.300 -0.108 0.000 1.620 492 M CB -1.215 31.314 32.600 -0.118 0.000 1.157 492 M HN 0.039 nan 8.290 nan 0.000 0.541 493 Y N 1.097 121.393 120.300 -0.007 0.000 2.745 493 Y HA 0.125 4.674 4.550 -0.001 0.000 0.335 493 Y C 0.578 176.543 175.900 0.109 0.000 1.212 493 Y CA -0.179 57.897 58.100 -0.040 0.000 1.535 493 Y CB -0.362 37.724 38.460 -0.624 0.000 1.220 493 Y HN 0.185 nan 8.280 nan 0.000 0.531 494 V N 4.420 124.590 119.914 0.427 0.000 2.498 494 V HA 0.315 4.435 4.120 -0.001 0.000 0.279 494 V C 0.027 176.362 176.094 0.401 0.000 1.048 494 V CA -0.545 61.953 62.300 0.329 0.000 0.967 494 V CB 1.217 33.185 31.823 0.240 0.000 0.988 494 V HN 0.861 nan 8.190 nan 0.000 0.473 495 S N 2.359 118.233 115.700 0.289 0.000 2.482 495 S HA 0.405 4.875 4.470 -0.001 0.000 0.303 495 S C 0.407 175.121 174.600 0.190 0.000 1.091 495 S CA -0.795 57.565 58.200 0.266 0.000 1.057 495 S CB 1.874 65.218 63.200 0.239 0.000 1.031 495 S HN 0.688 nan 8.310 nan 0.000 0.485 496 D N 2.082 122.575 120.400 0.155 0.000 2.078 496 D HA -0.015 4.624 4.640 -0.001 0.000 0.193 496 D C 0.375 176.755 176.300 0.133 0.000 0.990 496 D CA 1.669 55.741 54.000 0.120 0.000 0.827 496 D CB 0.143 40.997 40.800 0.091 0.000 0.975 496 D HN 0.810 nan 8.370 nan 0.000 0.451 497 T N -1.171 113.468 114.554 0.141 0.000 2.916 497 T HA 0.586 4.935 4.350 -0.001 0.000 0.305 497 T C -0.495 174.313 174.700 0.179 0.000 1.119 497 T CA -0.918 61.275 62.100 0.155 0.000 1.008 497 T CB 2.727 71.667 68.868 0.120 0.000 1.129 497 T HN -0.211 nan 8.240 nan 0.000 0.480 498 V N 1.276 121.332 119.914 0.238 0.000 2.789 498 V HA 0.569 4.688 4.120 -0.001 0.000 0.311 498 V C -0.159 176.116 176.094 0.302 0.000 1.073 498 V CA -0.909 61.558 62.300 0.279 0.000 0.921 498 V CB 2.344 34.428 31.823 0.434 0.000 1.009 498 V HN 1.093 nan 8.190 nan 0.000 0.426 499 T N 4.851 119.516 114.554 0.185 0.000 2.891 499 T HA 0.464 4.813 4.350 -0.001 0.000 0.315 499 T C -0.449 174.309 174.700 0.097 0.000 1.054 499 T CA 0.056 62.221 62.100 0.109 0.000 0.958 499 T CB -0.474 68.409 68.868 0.025 0.000 1.008 499 T HN 0.292 nan 8.240 nan 0.000 0.521 500 F N 2.999 122.855 119.950 -0.157 0.000 2.445 500 F HA 0.402 4.929 4.527 -0.001 0.000 0.359 500 F C 0.381 175.812 175.800 -0.615 0.000 1.101 500 F CA -0.605 57.246 58.000 -0.249 0.000 1.177 500 F CB 0.630 39.519 39.000 -0.185 0.000 1.110 500 F HN 0.178 nan 8.300 nan 0.000 0.522 501 V N 3.838 123.640 119.914 -0.185 0.000 2.735 501 V HA 0.279 4.399 4.120 -0.001 0.000 0.310 501 V C -0.383 175.755 176.094 0.073 0.000 1.061 501 V CA -1.359 60.829 62.300 -0.186 0.000 0.913 501 V CB 2.099 33.815 31.823 -0.179 0.000 1.005 501 V HN 0.669 nan 8.190 nan 0.000 0.428 502 N N 2.435 121.226 118.700 0.151 0.000 2.437 502 N HA 0.265 5.005 4.740 -0.001 0.000 0.243 502 N C 0.903 176.473 175.510 0.099 0.000 1.041 502 N CA -0.440 52.754 53.050 0.240 0.000 0.940 502 N CB 1.522 40.196 38.487 0.311 0.000 1.133 502 N HN 0.473 nan 8.380 nan 0.000 0.506 503 V N 3.505 123.476 119.914 0.096 0.000 2.324 503 V HA -0.289 3.830 4.120 -0.001 0.000 0.250 503 V C 2.215 178.326 176.094 0.028 0.000 1.060 503 V CA 2.359 64.686 62.300 0.045 0.000 1.042 503 V CB -0.887 30.991 31.823 0.093 0.000 0.650 503 V HN 0.831 nan 8.190 nan 0.000 0.450 504 A N -0.942 121.908 122.820 0.049 0.000 1.970 504 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 504 A C 2.335 179.934 177.584 0.026 0.000 1.170 504 A CA 2.026 54.084 52.037 0.036 0.000 0.645 504 A CB -0.522 18.504 19.000 0.043 0.000 0.816 504 A HN 0.505 nan 8.150 nan 0.000 0.447 505 T N -1.757 112.819 114.554 0.037 0.000 2.815 505 T HA 0.386 4.736 4.350 -0.001 0.000 0.244 505 T C 1.564 176.270 174.700 0.010 0.000 1.040 505 T CA 1.668 63.786 62.100 0.030 0.000 1.176 505 T CB -0.081 68.821 68.868 0.057 0.000 0.880 505 T HN 1.238 nan 8.240 nan 0.000 0.414 506 G N 0.858 109.665 108.800 0.011 0.000 2.260 506 G HA2 0.054 4.013 3.960 -0.001 0.000 0.179 506 G HA3 0.054 4.013 3.960 -0.001 0.000 0.179 506 G C 0.274 175.156 174.900 -0.031 0.000 1.002 506 G CA -0.062 45.018 45.100 -0.033 0.000 0.677 506 G HN 0.808 nan 8.290 nan 0.000 0.486 507 A N 0.588 123.426 122.820 0.029 0.000 2.520 507 A HA 0.585 4.904 4.320 -0.001 0.000 0.245 507 A C 0.570 178.110 177.584 -0.074 0.000 1.072 507 A CA 0.828 52.895 52.037 0.050 0.000 0.761 507 A CB 0.189 19.301 19.000 0.187 0.000 1.004 507 A HN 0.535 nan 8.150 nan 0.000 0.499 508 Q N -0.039 119.662 119.800 -0.164 0.000 2.385 508 Q HA 0.811 5.150 4.340 -0.001 0.000 0.262 508 Q C -0.580 175.191 176.000 -0.381 0.000 1.050 508 Q CA -0.605 54.995 55.803 -0.339 0.000 0.903 508 Q CB 2.271 30.882 28.738 -0.210 0.000 1.325 508 Q HN 1.205 nan 8.270 nan 0.000 0.485 509 A N 0.057 122.636 122.820 -0.400 0.000 2.586 509 A HA 0.504 4.824 4.320 -0.001 0.000 0.296 509 A C -1.473 176.017 177.584 -0.157 0.000 1.040 509 A CA -0.589 51.279 52.037 -0.282 0.000 0.701 509 A CB 0.732 19.532 19.000 -0.333 0.000 1.277 509 A HN 0.318 nan 8.150 nan 0.000 0.413 510 V N 1.407 121.272 119.914 -0.081 0.000 2.834 510 V HA 0.632 4.751 4.120 -0.001 0.000 0.313 510 V C 1.720 177.863 176.094 0.082 0.000 1.060 510 V CA 0.129 62.441 62.300 0.020 0.000 0.989 510 V CB 1.167 33.004 31.823 0.023 0.000 1.041 510 V HN 1.709 nan 8.190 nan 0.000 0.459 511 A N 3.202 126.133 122.820 0.186 0.000 1.849 511 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 511 A C 2.198 179.942 177.584 0.267 0.000 1.202 511 A CA 2.139 54.341 52.037 0.276 0.000 0.629 511 A CB -0.535 18.615 19.000 0.251 0.000 0.834 511 A HN 0.895 nan 8.150 nan 0.000 0.447 512 R N -0.459 120.169 120.500 0.214 0.000 2.062 512 R HA -0.036 4.303 4.340 -0.001 0.000 0.231 512 R C 2.564 178.960 176.300 0.160 0.000 1.136 512 R CA 1.390 57.641 56.100 0.251 0.000 0.948 512 R CB -0.723 29.686 30.300 0.181 0.000 0.845 512 R HN 0.481 nan 8.270 nan 0.000 0.430 513 S N 1.668 117.412 115.700 0.075 0.000 2.404 513 S HA -0.180 4.289 4.470 -0.001 0.000 0.230 513 S C 0.941 175.507 174.600 -0.056 0.000 1.046 513 S CA 0.926 59.132 58.200 0.011 0.000 1.135 513 S CB -0.593 62.596 63.200 -0.018 0.000 1.056 513 S HN 0.177 nan 8.310 nan 0.000 0.426 514 L N 3.051 124.177 121.223 -0.161 0.000 2.578 514 L HA 0.049 4.388 4.340 -0.001 0.000 0.279 514 L C -0.234 176.417 176.870 -0.365 0.000 1.227 514 L CA 0.186 54.815 54.840 -0.353 0.000 0.900 514 L CB -0.049 41.604 42.059 -0.676 0.000 1.144 514 L HN 0.082 nan 8.230 nan 0.000 0.496 515 D N 4.197 124.435 120.400 -0.271 0.000 2.494 515 D HA 0.086 4.726 4.640 -0.001 0.000 0.217 515 D C 0.377 176.546 176.300 -0.218 0.000 1.153 515 D CA -0.116 53.807 54.000 -0.130 0.000 0.954 515 D CB 0.080 40.847 40.800 -0.055 0.000 1.034 515 D HN 0.529 nan 8.370 nan 0.000 0.518 516 W N 1.973 123.032 121.300 -0.402 0.000 2.387 516 W HA -0.171 4.488 4.660 -0.001 0.000 0.272 516 W C 2.589 178.807 176.519 -0.502 0.000 1.224 516 W CA 0.980 57.969 57.345 -0.594 0.000 1.210 516 W CB -0.708 28.137 29.460 -1.025 0.000 1.125 516 W HN 0.466 nan 8.180 nan 0.000 0.572 517 S N 0.371 116.075 115.700 0.007 0.000 2.419 517 S HA -0.172 4.297 4.470 -0.001 0.000 0.235 517 S C 1.309 175.940 174.600 0.051 0.000 1.019 517 S CA 1.091 59.380 58.200 0.149 0.000 0.982 517 S CB -0.353 62.958 63.200 0.184 0.000 0.789 517 S HN 0.341 nan 8.310 nan 0.000 0.490 518 K N 1.240 121.618 120.400 -0.037 0.000 2.681 518 K HA 0.398 4.717 4.320 -0.001 0.000 0.211 518 K C -0.990 175.532 176.600 -0.130 0.000 1.075 518 K CA -0.191 56.058 56.287 -0.064 0.000 1.141 518 K CB 0.968 33.431 32.500 -0.062 0.000 0.896 518 K HN 0.199 nan 8.250 nan 0.000 0.470 519 V N 0.999 120.819 119.914 -0.157 0.000 2.617 519 V HA 0.232 4.352 4.120 -0.001 0.000 0.298 519 V C 0.312 176.311 176.094 -0.157 0.000 1.048 519 V CA -0.323 61.844 62.300 -0.221 0.000 0.964 519 V CB 1.838 33.485 31.823 -0.293 0.000 1.004 519 V HN 0.172 nan 8.190 nan 0.000 0.466 520 T N 5.162 119.605 114.554 -0.185 0.000 2.856 520 T HA 0.670 5.019 4.350 -0.001 0.000 0.283 520 T C -0.991 173.606 174.700 -0.172 0.000 1.008 520 T CA -0.299 61.706 62.100 -0.158 0.000 0.997 520 T CB 1.410 70.198 68.868 -0.133 0.000 0.992 520 T HN 0.457 nan 8.240 nan 0.000 0.454 521 L N 3.029 124.146 121.223 -0.177 0.000 2.446 521 L HA 0.518 4.857 4.340 -0.001 0.000 0.268 521 L C -0.693 176.093 176.870 -0.140 0.000 0.975 521 L CA -0.055 54.692 54.840 -0.155 0.000 0.848 521 L CB 1.076 43.037 42.059 -0.164 0.000 1.225 521 L HN 0.614 nan 8.230 nan 0.000 0.410 522 D N 4.182 124.537 120.400 -0.075 0.000 2.837 522 D HA -0.139 4.501 4.640 -0.001 0.000 0.230 522 D C 0.955 177.227 176.300 -0.047 0.000 1.152 522 D CA 2.053 56.031 54.000 -0.038 0.000 0.736 522 D CB -1.051 39.755 40.800 0.010 0.000 1.084 522 D HN 1.395 nan 8.370 nan 0.000 0.429 523 G N -0.468 108.290 108.800 -0.070 0.000 2.256 523 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.272 523 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.272 523 G C 0.134 174.995 174.900 -0.065 0.000 1.076 523 G CA 0.450 45.515 45.100 -0.059 0.000 0.882 523 G HN 0.576 nan 8.290 nan 0.000 0.497 524 R N -0.630 119.800 120.500 -0.117 0.000 2.664 524 R HA 0.407 4.746 4.340 -0.001 0.000 0.266 524 R C -2.799 173.397 176.300 -0.174 0.000 1.046 524 R CA -1.584 54.443 56.100 -0.122 0.000 0.885 524 R CB 2.485 32.721 30.300 -0.107 0.000 1.254 524 R HN 0.097 nan 8.270 nan 0.000 0.465 525 P HA 0.107 nan 4.420 nan 0.000 0.271 525 P C -0.302 176.988 177.300 -0.016 0.000 1.218 525 P CA -0.173 62.914 63.100 -0.020 0.000 0.780 525 P CB 0.665 32.398 31.700 0.054 0.000 0.901 526 L N 1.982 123.258 121.223 0.089 0.000 2.514 526 L HA 0.049 4.389 4.340 -0.001 0.000 0.280 526 L C 1.265 178.317 176.870 0.302 0.000 1.223 526 L CA 0.173 55.138 54.840 0.208 0.000 0.864 526 L CB -0.513 41.761 42.059 0.357 0.000 1.118 526 L HN 0.444 nan 8.230 nan 0.000 0.494 527 T N -0.115 114.660 114.554 0.369 0.000 2.926 527 T HA 0.132 4.481 4.350 -0.001 0.000 0.307 527 T C 0.202 174.976 174.700 0.124 0.000 1.059 527 T CA -0.708 61.538 62.100 0.243 0.000 1.122 527 T CB 0.500 69.473 68.868 0.174 0.000 0.972 527 T HN 0.540 nan 8.240 nan 0.000 0.545 528 T N 3.821 118.399 114.554 0.041 0.000 2.767 528 T HA 0.533 4.882 4.350 -0.001 0.000 0.284 528 T C -0.344 174.348 174.700 -0.012 0.000 0.973 528 T CA -0.607 61.465 62.100 -0.045 0.000 0.996 528 T CB 0.275 69.093 68.868 -0.084 0.000 0.927 528 T HN 0.425 nan 8.240 nan 0.000 0.456 529 I N 3.349 123.921 120.570 0.003 0.000 2.533 529 I HA 0.346 4.516 4.170 -0.001 0.000 0.290 529 I C -0.218 175.939 176.117 0.068 0.000 1.056 529 I CA -0.737 60.575 61.300 0.020 0.000 1.057 529 I CB 2.280 40.283 38.000 0.006 0.000 1.240 529 I HN 0.611 nan 8.210 nan 0.000 0.423 530 Q N 4.669 124.499 119.800 0.051 0.000 2.309 530 Q HA 0.577 4.916 4.340 -0.001 0.000 0.264 530 Q C -0.431 175.603 176.000 0.056 0.000 1.008 530 Q CA -0.359 55.502 55.803 0.096 0.000 0.853 530 Q CB 3.248 32.023 28.738 0.061 0.000 1.314 530 Q HN 0.557 nan 8.270 nan 0.000 0.448 531 Q N 0.294 120.143 119.800 0.082 0.000 1.678 531 Q HA 0.152 4.492 4.340 -0.001 0.000 0.146 531 Q C -0.312 175.836 176.000 0.246 0.000 0.446 531 Q CA -0.265 55.575 55.803 0.062 0.000 0.743 531 Q CB 0.720 29.355 28.738 -0.171 0.000 0.832 531 Q HN 0.619 nan 8.270 nan 0.000 0.227 532 Y N 2.186 122.485 120.300 -0.001 0.000 3.096 532 Y HA 0.033 4.582 4.550 -0.001 0.000 0.377 532 Y C 0.129 176.089 175.900 0.101 0.000 1.107 532 Y CA -0.342 57.779 58.100 0.035 0.000 2.045 532 Y CB -0.250 38.217 38.460 0.012 0.000 2.203 532 Y HN 0.347 nan 8.280 nan 0.000 0.408 533 S N -0.222 115.610 115.700 0.219 0.000 3.380 533 S HA -0.217 4.253 4.470 -0.001 0.000 0.300 533 S C 0.015 174.695 174.600 0.133 0.000 1.255 533 S CA 1.119 59.403 58.200 0.139 0.000 0.963 533 S CB -0.997 62.261 63.200 0.098 0.000 1.106 533 S HN 0.631 nan 8.310 nan 0.000 0.629 534 K N -0.154 120.372 120.400 0.210 0.000 2.469 534 K HA 0.533 4.852 4.320 -0.001 0.000 0.268 534 K C -0.700 175.952 176.600 0.088 0.000 1.027 534 K CA -0.805 55.536 56.287 0.091 0.000 0.893 534 K CB 1.582 34.074 32.500 -0.013 0.000 1.460 534 K HN 0.087 nan 8.250 nan 0.000 0.449 535 T N 0.660 115.104 114.554 -0.184 0.000 2.795 535 T HA 0.599 4.948 4.350 -0.001 0.000 0.282 535 T C -0.739 173.679 174.700 -0.471 0.000 0.980 535 T CA -0.530 61.463 62.100 -0.178 0.000 1.012 535 T CB 0.176 68.915 68.868 -0.215 0.000 0.936 535 T HN 0.199 nan 8.240 nan 0.000 0.457 536 F N 0.747 120.583 119.950 -0.191 0.000 2.563 536 F HA 0.494 5.020 4.527 -0.001 0.000 0.316 536 F C -0.461 175.214 175.800 -0.208 0.000 1.076 536 F CA -1.537 56.359 58.000 -0.173 0.000 0.921 536 F CB 1.436 40.367 39.000 -0.113 0.000 1.209 536 F HN 0.511 nan 8.300 nan 0.000 0.462 537 Y N 1.425 121.760 120.300 0.058 0.000 2.316 537 Y HA 0.491 5.041 4.550 -0.001 0.000 0.331 537 Y C -0.021 175.923 175.900 0.073 0.000 1.083 537 Y CA -0.665 57.460 58.100 0.042 0.000 1.206 537 Y CB 1.073 39.517 38.460 -0.026 0.000 1.195 537 Y HN 0.181 nan 8.280 nan 0.000 0.497 538 V N 5.999 126.055 119.914 0.237 0.000 2.383 538 V HA 0.198 4.318 4.120 -0.001 0.000 0.275 538 V C -0.069 176.149 176.094 0.207 0.000 1.036 538 V CA -0.700 61.708 62.300 0.179 0.000 0.889 538 V CB 1.096 32.996 31.823 0.127 0.000 0.985 538 V HN 0.607 nan 8.190 nan 0.000 0.459 539 L N 8.210 129.546 121.223 0.188 0.000 2.426 539 L HA 0.360 4.699 4.340 -0.001 0.000 0.255 539 L C -2.069 174.896 176.870 0.159 0.000 1.080 539 L CA -1.648 53.313 54.840 0.201 0.000 0.960 539 L CB 1.616 43.829 42.059 0.257 0.000 1.326 539 L HN 0.462 nan 8.230 nan 0.000 0.441 540 P HA 0.015 nan 4.420 nan 0.000 0.262 540 P C -0.537 176.826 177.300 0.105 0.000 1.199 540 P CA -0.004 63.164 63.100 0.112 0.000 0.763 540 P CB 1.167 32.935 31.700 0.112 0.000 0.790 541 L N 4.902 126.180 121.223 0.091 0.000 2.397 541 L HA 0.526 4.866 4.340 -0.001 0.000 0.266 541 L C 1.191 178.104 176.870 0.071 0.000 1.040 541 L CA -0.664 54.228 54.840 0.086 0.000 0.800 541 L CB 0.825 42.936 42.059 0.087 0.000 1.324 541 L HN 0.278 nan 8.230 nan 0.000 0.469 542 R N -0.079 120.460 120.500 0.066 0.000 2.483 542 R HA 0.603 4.942 4.340 -0.001 0.000 0.303 542 R C -0.347 175.985 176.300 0.054 0.000 0.987 542 R CA -0.006 56.127 56.100 0.056 0.000 0.881 542 R CB 1.452 31.782 30.300 0.050 0.000 1.177 542 R HN 0.841 nan 8.270 nan 0.000 0.451 543 G N 2.600 111.430 108.800 0.051 0.000 2.512 543 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.210 543 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.210 543 G C -1.283 173.651 174.900 0.056 0.000 1.295 543 G CA -0.908 44.219 45.100 0.046 0.000 0.934 543 G HN 0.450 nan 8.290 nan 0.000 0.554 544 K N 0.013 120.441 120.400 0.046 0.000 2.274 544 K HA 0.678 4.998 4.320 -0.001 0.000 0.262 544 K C 0.482 177.122 176.600 0.066 0.000 0.961 544 K CA -0.749 55.570 56.287 0.053 0.000 0.833 544 K CB 2.591 35.095 32.500 0.008 0.000 1.102 544 K HN 0.552 nan 8.250 nan 0.000 0.436 545 L N 1.241 122.528 121.223 0.107 0.000 2.435 545 L HA 0.018 4.357 4.340 -0.001 0.000 0.258 545 L C -0.149 176.815 176.870 0.156 0.000 1.257 545 L CA 0.729 55.648 54.840 0.132 0.000 0.823 545 L CB 0.695 42.860 42.059 0.176 0.000 1.111 545 L HN 0.699 nan 8.230 nan 0.000 0.543 546 S N -0.516 115.285 115.700 0.169 0.000 2.599 546 S HA 0.678 5.147 4.470 -0.001 0.000 0.287 546 S C -1.283 173.421 174.600 0.173 0.000 1.105 546 S CA -0.465 57.803 58.200 0.112 0.000 0.899 546 S CB 1.612 64.786 63.200 -0.044 0.000 1.100 546 S HN 0.269 nan 8.310 nan 0.000 0.482 547 F N 0.758 120.441 119.950 -0.445 0.000 2.579 547 F HA 0.689 5.215 4.527 -0.001 0.000 0.324 547 F C -0.013 175.460 175.800 -0.545 0.000 1.058 547 F CA -0.920 56.888 58.000 -0.321 0.000 0.944 547 F CB 1.255 40.078 39.000 -0.296 0.000 1.245 547 F HN 0.498 nan 8.300 nan 0.000 0.477 548 W N -0.365 120.882 121.300 -0.090 0.000 3.307 548 W HA 0.390 5.050 4.660 -0.001 0.000 0.376 548 W C -0.422 176.075 176.519 -0.036 0.000 1.113 548 W CA -0.341 56.954 57.345 -0.083 0.000 1.087 548 W CB 1.867 31.230 29.460 -0.163 0.000 1.511 548 W HN 0.286 nan 8.180 nan 0.000 0.604 549 E N -0.338 120.042 120.200 0.300 0.000 3.053 549 E HA 0.204 4.554 4.350 -0.001 0.000 0.107 549 E C -0.061 176.647 176.600 0.180 0.000 0.870 549 E CA 0.722 57.231 56.400 0.183 0.000 1.570 549 E CB 0.015 29.789 29.700 0.123 0.000 0.948 549 E HN 0.618 nan 8.360 nan 0.000 0.337 550 A N 0.095 123.054 122.820 0.232 0.000 2.861 550 A HA -0.262 4.057 4.320 -0.001 0.000 0.261 550 A C 0.521 178.212 177.584 0.179 0.000 1.351 550 A CA 1.843 53.990 52.037 0.183 0.000 0.904 550 A CB -2.185 16.886 19.000 0.119 0.000 1.076 550 A HN 0.817 nan 8.150 nan 0.000 0.729 551 S N -3.329 112.495 115.700 0.207 0.000 2.873 551 S HA 0.672 5.142 4.470 -0.001 0.000 0.303 551 S C -0.218 174.441 174.600 0.099 0.000 1.222 551 S CA 0.236 58.519 58.200 0.139 0.000 0.923 551 S CB 0.766 64.018 63.200 0.086 0.000 1.286 551 S HN 1.009 nan 8.310 nan 0.000 0.571 552 T N 2.318 116.891 114.554 0.032 0.000 3.688 552 T HA 0.547 4.897 4.350 -0.001 0.000 0.307 552 T C -0.906 173.750 174.700 -0.072 0.000 1.382 552 T CA -0.104 61.972 62.100 -0.041 0.000 1.136 552 T CB -0.849 68.003 68.868 -0.027 0.000 1.207 552 T HN 0.629 nan 8.240 nan 0.000 0.854 553 T N 3.437 117.922 114.554 -0.115 0.000 3.031 553 T HA 0.435 4.785 4.350 -0.001 0.000 0.305 553 T C -0.101 174.507 174.700 -0.154 0.000 0.985 553 T CA -1.174 60.869 62.100 -0.094 0.000 1.008 553 T CB 1.653 70.511 68.868 -0.015 0.000 1.005 553 T HN 0.563 nan 8.240 nan 0.000 0.444 562 N N 3.224 121.969 118.700 0.076 0.000 2.663 562 N HA -0.165 4.574 4.740 -0.001 0.000 0.263 562 N C 0.650 176.224 175.510 0.108 0.000 1.109 562 N CA 1.352 54.469 53.050 0.112 0.000 0.701 562 N CB -0.600 38.022 38.487 0.225 0.000 0.879 562 N HN 0.735 nan 8.380 nan 0.000 0.550 563 T N -0.974 113.619 114.554 0.065 0.000 2.803 563 T HA -0.116 4.233 4.350 -0.001 0.000 0.269 563 T C 0.990 175.719 174.700 0.048 0.000 1.052 563 T CA 1.404 63.533 62.100 0.050 0.000 1.136 563 T CB -0.021 68.865 68.868 0.030 0.000 0.864 563 T HN 0.430 nan 8.240 nan 0.000 0.467 564 T N 2.640 117.224 114.554 0.049 0.000 2.769 564 T HA 0.404 4.753 4.350 -0.001 0.000 0.293 564 T C 0.797 175.533 174.700 0.059 0.000 0.931 564 T CA -0.338 61.789 62.100 0.045 0.000 1.139 564 T CB 0.871 69.762 68.868 0.037 0.000 0.881 564 T HN 0.222 nan 8.240 nan 0.000 0.532 565 A N 4.118 126.968 122.820 0.051 0.000 2.711 565 A HA 0.321 4.641 4.320 -0.001 0.000 0.242 565 A C 0.971 178.591 177.584 0.060 0.000 1.607 565 A CA -0.422 51.648 52.037 0.057 0.000 1.370 565 A CB -0.501 18.526 19.000 0.046 0.000 0.934 565 A HN 0.637 nan 8.150 nan 0.000 0.628 566 S N 0.371 116.109 115.700 0.064 0.000 2.585 566 S HA 0.490 4.959 4.470 -0.001 0.000 0.277 566 S C -0.258 174.385 174.600 0.071 0.000 1.241 566 S CA -0.407 57.828 58.200 0.059 0.000 1.041 566 S CB 0.918 64.144 63.200 0.044 0.000 0.987 566 S HN 0.487 nan 8.310 nan 0.000 0.512 567 D N 2.094 122.533 120.400 0.066 0.000 3.117 567 D HA 0.084 4.723 4.640 -0.001 0.000 0.241 567 D C -1.189 175.152 176.300 0.069 0.000 1.385 567 D CA -0.354 53.690 54.000 0.074 0.000 0.855 567 D CB 0.767 41.622 40.800 0.092 0.000 1.498 567 D HN 0.380 nan 8.370 nan 0.000 0.584 568 Q N 0.942 120.770 119.800 0.046 0.000 2.255 568 Q HA 0.232 4.572 4.340 -0.001 0.000 0.280 568 Q C 0.436 176.473 176.000 0.061 0.000 1.068 568 Q CA 0.743 56.576 55.803 0.049 0.000 0.911 568 Q CB 0.982 29.726 28.738 0.008 0.000 1.157 568 Q HN 0.425 nan 8.270 nan 0.000 0.380 569 I N 5.091 125.727 120.570 0.110 0.000 2.313 569 I HA 0.127 4.296 4.170 -0.001 0.000 0.286 569 I C -0.837 175.368 176.117 0.147 0.000 1.091 569 I CA -0.596 60.791 61.300 0.144 0.000 1.216 569 I CB 0.048 38.182 38.000 0.223 0.000 1.434 569 I HN 0.363 nan 8.210 nan 0.000 0.487 570 L N 7.083 128.364 121.223 0.096 0.000 2.395 570 L HA 0.413 4.753 4.340 -0.001 0.000 0.269 570 L C -0.348 176.616 176.870 0.156 0.000 1.133 570 L CA -0.058 54.858 54.840 0.128 0.000 0.812 570 L CB 0.711 42.797 42.059 0.045 0.000 1.125 570 L HN 0.333 nan 8.230 nan 0.000 0.452 571 I N 0.993 121.634 120.570 0.119 0.000 2.500 571 I HA 0.233 4.402 4.170 -0.001 0.000 0.286 571 I C -0.106 175.979 176.117 -0.054 0.000 1.063 571 I CA -0.651 60.593 61.300 -0.092 0.000 1.062 571 I CB 1.662 39.209 38.000 -0.755 0.000 1.223 571 I HN 0.670 nan 8.210 nan 0.000 0.435 572 E N 3.716 123.776 120.200 -0.234 0.000 2.398 572 E HA 0.039 4.389 4.350 -0.001 0.000 0.263 572 E C -0.073 176.326 176.600 -0.334 0.000 1.046 572 E CA -0.267 55.672 56.400 -0.768 0.000 0.908 572 E CB 0.680 29.773 29.700 -1.011 0.000 0.963 572 E HN 0.532 nan 8.360 nan 0.000 0.431 573 N N 1.289 119.774 118.700 -0.358 0.000 2.410 573 N HA 0.125 4.865 4.740 -0.001 0.000 0.231 573 N C -0.957 174.391 175.510 -0.270 0.000 1.172 573 N CA 0.186 53.154 53.050 -0.137 0.000 0.849 573 N CB 0.085 38.478 38.487 -0.157 0.000 1.116 573 N HN 0.571 nan 8.380 nan 0.000 0.485 574 A N -0.623 121.978 122.820 -0.365 0.000 2.248 574 A HA 0.702 5.021 4.320 -0.001 0.000 0.316 574 A C 1.212 178.567 177.584 -0.382 0.000 1.101 574 A CA -0.192 51.665 52.037 -0.300 0.000 0.875 574 A CB 0.237 19.102 19.000 -0.225 0.000 1.207 574 A HN 0.307 nan 8.150 nan 0.000 0.504 575 A N -0.846 121.841 122.820 -0.222 0.000 2.259 575 A HA 0.236 4.556 4.320 -0.001 0.000 0.212 575 A C 1.637 179.151 177.584 -0.117 0.000 1.178 575 A CA 1.792 53.730 52.037 -0.165 0.000 0.734 575 A CB -0.822 18.134 19.000 -0.073 0.000 0.774 575 A HN 1.294 nan 8.150 nan 0.000 0.481 576 G N -2.812 105.911 108.800 -0.128 0.000 2.673 576 G HA2 0.163 4.122 3.960 -0.001 0.000 0.208 576 G HA3 0.163 4.122 3.960 -0.001 0.000 0.208 576 G C 0.573 175.511 174.900 0.063 0.000 1.128 576 G CA 0.371 45.462 45.100 -0.016 0.000 0.805 576 G HN 0.577 nan 8.290 nan 0.000 0.526 577 H N 0.535 119.586 119.070 -0.032 0.000 2.692 577 H HA -0.121 4.434 4.556 -0.001 0.000 0.316 577 H C 0.582 175.870 175.328 -0.065 0.000 1.176 577 H CA 0.954 56.947 56.048 -0.093 0.000 1.142 577 H CB -1.198 28.556 29.762 -0.013 0.000 1.475 577 H HN 0.479 nan 8.280 nan 0.000 0.423 578 R N -0.452 120.090 120.500 0.070 0.000 2.637 578 R HA 0.514 4.853 4.340 -0.001 0.000 0.269 578 R C 0.586 176.952 176.300 0.110 0.000 1.089 578 R CA -0.371 55.797 56.100 0.114 0.000 1.177 578 R CB 1.201 31.579 30.300 0.129 0.000 1.091 578 R HN -0.024 nan 8.270 nan 0.000 0.540 579 V N -0.419 119.592 119.914 0.161 0.000 3.126 579 V HA 0.883 5.003 4.120 -0.001 0.000 0.314 579 V C -0.663 175.530 176.094 0.165 0.000 1.138 579 V CA -1.025 61.378 62.300 0.171 0.000 1.034 579 V CB 1.944 33.929 31.823 0.271 0.000 1.075 579 V HN 0.934 nan 8.190 nan 0.000 0.442 580 A N 1.282 124.181 122.820 0.131 0.000 2.555 580 A HA 0.796 5.116 4.320 -0.001 0.000 0.297 580 A C -0.895 176.738 177.584 0.080 0.000 1.060 580 A CA -0.517 51.583 52.037 0.104 0.000 0.710 580 A CB 0.935 19.979 19.000 0.073 0.000 1.282 580 A HN 0.663 nan 8.150 nan 0.000 0.399 581 I N 0.268 120.912 120.570 0.124 0.000 4.411 581 I HA 0.712 4.881 4.170 -0.001 0.000 0.208 581 I C 1.041 177.278 176.117 0.200 0.000 1.580 581 I CA -0.376 61.013 61.300 0.147 0.000 0.988 581 I CB 0.684 38.759 38.000 0.125 0.000 1.771 581 I HN 0.647 nan 8.210 nan 0.000 0.768 582 S N 0.142 116.016 115.700 0.290 0.000 2.753 582 S HA 0.152 4.622 4.470 -0.001 0.000 0.147 582 S C -0.742 173.909 174.600 0.085 0.000 0.980 582 S CA -0.407 57.868 58.200 0.125 0.000 1.044 582 S CB -0.194 62.975 63.200 -0.052 0.000 1.715 582 S HN 0.527 nan 8.310 nan 0.000 0.515 583 T N 3.261 117.943 114.554 0.213 0.000 2.728 583 T HA 0.308 4.657 4.350 -0.001 0.000 0.296 583 T C 0.924 175.699 174.700 0.125 0.000 0.940 583 T CA -0.207 61.925 62.100 0.053 0.000 1.013 583 T CB 0.261 68.846 68.868 -0.473 0.000 0.912 583 T HN 0.480 nan 8.240 nan 0.000 0.484 584 Y N 2.131 122.448 120.300 0.028 0.000 2.133 584 Y HA -0.184 4.365 4.550 -0.001 0.000 0.279 584 Y C 2.018 177.936 175.900 0.030 0.000 1.209 584 Y CA 0.774 58.895 58.100 0.035 0.000 1.152 584 Y CB -1.560 36.947 38.460 0.079 0.000 0.961 584 Y HN 0.405 nan 8.280 nan 0.000 0.512 585 T N 1.477 116.147 114.554 0.193 0.000 2.751 585 T HA 0.084 4.434 4.350 -0.001 0.000 0.290 585 T C 0.618 175.393 174.700 0.125 0.000 0.919 585 T CA 0.136 62.300 62.100 0.106 0.000 1.136 585 T CB 0.305 69.187 68.868 0.022 0.000 0.875 585 T HN 0.158 nan 8.240 nan 0.000 0.532 586 T N 2.896 117.524 114.554 0.124 0.000 3.341 586 T HA 0.131 4.481 4.350 -0.001 0.000 0.234 586 T C 1.676 176.471 174.700 0.159 0.000 0.890 586 T CA -0.469 61.718 62.100 0.145 0.000 0.952 586 T CB -0.256 68.671 68.868 0.098 0.000 1.146 586 T HN 0.731 nan 8.240 nan 0.000 0.591 587 S N 1.349 117.138 115.700 0.149 0.000 2.269 587 S HA 0.138 4.608 4.470 -0.001 0.000 0.167 587 S C 0.985 175.684 174.600 0.165 0.000 1.319 587 S CA -0.272 57.998 58.200 0.118 0.000 2.086 587 S CB -0.477 62.761 63.200 0.063 0.000 0.582 587 S HN 0.246 nan 8.310 nan 0.000 0.360 588 L N 2.813 124.124 121.223 0.148 0.000 2.843 588 L HA 0.221 4.560 4.340 -0.001 0.000 0.296 588 L C 0.759 177.820 176.870 0.319 0.000 1.228 588 L CA 1.100 56.048 54.840 0.181 0.000 1.188 588 L CB -0.977 41.161 42.059 0.131 0.000 1.475 588 L HN 0.897 nan 8.230 nan 0.000 0.433 589 G N 1.658 110.660 108.800 0.337 0.000 5.252 589 G HA2 0.428 4.388 3.960 -0.001 0.000 0.214 589 G HA3 0.428 4.388 3.960 -0.001 0.000 0.214 589 G C 0.594 175.665 174.900 0.285 0.000 0.817 589 G CA 0.374 45.772 45.100 0.496 0.000 0.715 589 G HN 0.673 nan 8.290 nan 0.000 0.480 590 A N 0.299 123.229 122.820 0.184 0.000 2.529 590 A HA 0.727 5.047 4.320 -0.001 0.000 0.243 590 A C 1.934 179.531 177.584 0.023 0.000 1.781 590 A CA 0.928 53.019 52.037 0.090 0.000 0.877 590 A CB -0.721 18.321 19.000 0.071 0.000 1.601 590 A HN 0.889 nan 8.150 nan 0.000 0.674 591 G N -0.543 108.253 108.800 -0.006 0.000 2.630 591 G HA2 0.236 4.196 3.960 -0.001 0.000 0.195 591 G HA3 0.236 4.196 3.960 -0.001 0.000 0.195 591 G C -1.815 173.012 174.900 -0.122 0.000 1.493 591 G CA 0.673 45.743 45.100 -0.050 0.000 0.890 591 G HN 0.639 nan 8.290 nan 0.000 0.475 592 P HA 0.277 nan 4.420 nan 0.000 0.241 592 P C -0.881 176.386 177.300 -0.055 0.000 1.780 592 P CA 0.114 63.155 63.100 -0.099 0.000 1.111 592 P CB 0.433 32.107 31.700 -0.043 0.000 1.852 593 T N 1.241 115.745 114.554 -0.083 0.000 2.799 593 T HA 0.268 4.618 4.350 -0.001 0.000 0.286 593 T C 0.453 175.263 174.700 0.183 0.000 0.973 593 T CA -0.000 62.155 62.100 0.091 0.000 1.035 593 T CB 0.572 69.582 68.868 0.236 0.000 0.932 593 T HN 0.083 nan 8.240 nan 0.000 0.469 594 S N 3.396 119.188 115.700 0.154 0.000 2.475 594 S HA 0.587 5.056 4.470 -0.001 0.000 0.281 594 S C -0.309 174.381 174.600 0.150 0.000 1.198 594 S CA -0.714 57.575 58.200 0.149 0.000 1.063 594 S CB 0.216 63.477 63.200 0.102 0.000 0.972 594 S HN 0.668 nan 8.310 nan 0.000 0.486 595 I N 1.929 122.572 120.570 0.121 0.000 2.619 595 I HA 0.501 4.671 4.170 -0.001 0.000 0.292 595 I C -0.728 175.358 176.117 -0.051 0.000 1.100 595 I CA -0.243 61.081 61.300 0.040 0.000 1.043 595 I CB 2.031 39.983 38.000 -0.080 0.000 1.239 595 I HN 0.518 nan 8.210 nan 0.000 0.420 596 S N 4.636 120.303 115.700 -0.054 0.000 2.681 596 S HA 0.982 5.451 4.470 -0.001 0.000 0.299 596 S C -0.732 173.660 174.600 -0.346 0.000 1.113 596 S CA -0.501 57.497 58.200 -0.335 0.000 1.013 596 S CB 1.832 64.663 63.200 -0.615 0.000 1.076 596 S HN 0.825 nan 8.310 nan 0.000 0.534 597 A N 0.960 123.335 122.820 -0.741 0.000 2.594 597 A HA 0.714 5.034 4.320 -0.001 0.000 0.296 597 A C -1.545 175.675 177.584 -0.605 0.000 1.061 597 A CA -0.504 51.284 52.037 -0.415 0.000 0.689 597 A CB 0.989 19.744 19.000 -0.408 0.000 1.280 597 A HN 0.561 nan 8.150 nan 0.000 0.406 598 V N 0.215 120.013 119.914 -0.193 0.000 2.864 598 V HA 0.980 5.099 4.120 -0.001 0.000 0.314 598 V C 0.517 176.619 176.094 0.012 0.000 1.073 598 V CA 0.310 62.527 62.300 -0.137 0.000 0.956 598 V CB 2.221 34.014 31.823 -0.049 0.000 1.023 598 V HN 1.982 nan 8.190 nan 0.000 0.435 599 G N 1.242 110.063 108.800 0.035 0.000 2.442 599 G HA2 0.511 4.470 3.960 -0.001 0.000 0.296 599 G HA3 0.511 4.470 3.960 -0.001 0.000 0.296 599 G C -1.947 172.999 174.900 0.076 0.000 1.564 599 G CA -0.473 44.663 45.100 0.060 0.000 0.828 599 G HN 0.535 nan 8.290 nan 0.000 0.571 600 V N 1.639 121.599 119.914 0.077 0.000 2.617 600 V HA 0.545 4.664 4.120 -0.001 0.000 0.298 600 V C 0.693 176.836 176.094 0.081 0.000 1.048 600 V CA -0.682 61.665 62.300 0.078 0.000 0.964 600 V CB 1.472 33.336 31.823 0.067 0.000 1.004 600 V HN 0.660 nan 8.190 nan 0.000 0.466 601 L N 3.069 124.341 121.223 0.083 0.000 2.439 601 L HA 0.731 5.070 4.340 -0.001 0.000 0.261 601 L C 0.390 177.303 176.870 0.072 0.000 1.153 601 L CA -0.139 54.752 54.840 0.085 0.000 0.808 601 L CB 0.998 43.104 42.059 0.079 0.000 1.126 601 L HN 0.775 nan 8.230 nan 0.000 0.460 602 A N 1.932 124.799 122.820 0.078 0.000 2.413 602 A HA 0.786 5.105 4.320 -0.001 0.000 0.307 602 A C -2.566 175.067 177.584 0.081 0.000 1.087 602 A CA -1.746 50.332 52.037 0.070 0.000 0.750 602 A CB 1.134 20.174 19.000 0.065 0.000 1.296 602 A HN 0.416 nan 8.150 nan 0.000 0.423 603 P HA -0.006 nan 4.420 nan 0.000 0.269 603 P C -0.586 176.792 177.300 0.131 0.000 1.205 603 P CA 0.557 63.708 63.100 0.085 0.000 0.780 603 P CB 0.173 31.908 31.700 0.058 0.000 0.858 604 H N 1.504 120.589 119.070 0.024 0.000 2.955 604 H HA 0.155 4.710 4.556 -0.001 0.000 0.290 604 H C 0.925 176.268 175.328 0.025 0.000 1.047 604 H CA 0.527 56.592 56.048 0.028 0.000 1.484 604 H CB 0.101 29.879 29.762 0.027 0.000 1.501 604 H HN 0.259 nan 8.280 nan 0.000 0.521 605 S N 3.115 118.694 115.700 -0.200 0.000 2.350 605 S HA 0.303 4.772 4.470 -0.001 0.000 0.193 605 S C 0.356 174.843 174.600 -0.188 0.000 1.322 605 S CA 0.890 58.995 58.200 -0.158 0.000 2.111 605 S CB -0.175 62.945 63.200 -0.133 0.000 0.690 605 S HN 0.876 nan 8.310 nan 0.000 0.359 606 A N 0.000 122.697 122.820 -0.205 0.000 2.254 606 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 606 A CA 0.000 51.956 52.037 -0.135 0.000 0.836 606 A CB 0.000 18.962 19.000 -0.064 0.000 0.831 606 A HN 0.000 nan 8.150 nan 0.000 0.486