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 3csf_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMX XXXXXXXXXX XXXXQDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXCDRKFRV KIRGIDIPVL PXXTDLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCGKXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXQLLYY VNLLLIDHRF LLRRGEYVLH MWQISXXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNX XHPIALPKXX XXXXXXXXXV DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS AEKYDVSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGXFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHXLGXXX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFL 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 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.611 174.600 0.019 0.000 1.055 144 S CA 0.000 58.204 58.200 0.007 0.000 1.107 144 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 145 E N 1.209 121.420 120.200 0.018 0.000 2.150 145 E HA -0.180 4.190 4.350 0.033 0.000 0.193 145 E C 1.793 178.416 176.600 0.038 0.000 0.985 145 E CA 1.084 57.499 56.400 0.026 0.000 0.814 145 E CB -0.097 29.614 29.700 0.020 0.000 0.752 145 E HN 0.851 nan 8.360 nan 0.000 0.466 146 E N 1.483 121.700 120.200 0.029 0.000 2.097 146 E HA -0.241 4.129 4.350 0.033 0.000 0.196 146 E C 2.115 178.756 176.600 0.069 0.000 1.000 146 E CA 1.557 57.978 56.400 0.035 0.000 0.804 146 E CB -0.102 29.599 29.700 0.002 0.000 0.740 146 E HN 0.070 nan 8.360 nan 0.000 0.454 147 S N -0.192 115.540 115.700 0.054 0.000 2.383 147 S HA -0.168 4.322 4.470 0.033 0.000 0.227 147 S C 2.013 176.703 174.600 0.149 0.000 1.026 147 S CA 1.389 59.648 58.200 0.099 0.000 0.981 147 S CB -0.121 63.112 63.200 0.056 0.000 0.818 147 S HN 0.380 nan 8.310 nan 0.000 0.472 148 Q N 0.517 120.370 119.800 0.089 0.000 2.050 148 Q HA -0.029 4.331 4.340 0.033 0.000 0.202 148 Q C 2.526 178.570 176.000 0.074 0.000 0.980 148 Q CA 1.682 57.525 55.803 0.068 0.000 0.840 148 Q CB -0.418 28.344 28.738 0.040 0.000 0.898 148 Q HN 0.683 nan 8.270 nan 0.000 0.424 149 A N 0.388 123.260 122.820 0.086 0.000 1.873 149 A HA -0.193 4.147 4.320 0.033 0.000 0.215 149 A C 1.875 179.527 177.584 0.113 0.000 1.186 149 A CA 1.118 53.203 52.037 0.080 0.000 0.616 149 A CB -0.842 18.205 19.000 0.078 0.000 0.823 149 A HN 0.439 nan 8.150 nan 0.000 0.442 150 F N 0.821 120.774 119.950 0.005 0.000 2.043 150 F HA -0.292 4.255 4.527 0.033 0.000 0.297 150 F C 2.409 178.214 175.800 0.008 0.000 1.121 150 F CA 2.556 60.560 58.000 0.007 0.000 1.199 150 F CB -0.681 38.322 39.000 0.005 0.000 0.968 150 F HN 0.327 nan 8.300 nan 0.000 0.478 151 Q N 0.605 120.414 119.800 0.015 0.000 2.308 151 Q HA -0.197 4.163 4.340 0.033 0.000 0.209 151 Q C 2.130 178.060 176.000 -0.115 0.000 0.985 151 Q CA 1.734 57.483 55.803 -0.091 0.000 0.881 151 Q CB -0.294 28.459 28.738 0.024 0.000 0.917 151 Q HN 0.483 nan 8.270 nan 0.000 0.443 152 R N -0.794 119.666 120.500 -0.067 0.000 2.119 152 R HA -0.068 4.292 4.340 0.033 0.000 0.222 152 R C 2.271 178.521 176.300 -0.084 0.000 1.088 152 R CA 1.269 57.335 56.100 -0.056 0.000 0.984 152 R CB -0.166 30.123 30.300 -0.018 0.000 0.884 152 R HN 0.440 nan 8.270 nan 0.000 0.447 153 Q N 1.004 120.731 119.800 -0.122 0.000 2.083 153 Q HA -0.082 4.278 4.340 0.033 0.000 0.198 153 Q C 2.111 178.005 176.000 -0.175 0.000 0.969 153 Q CA 1.007 56.735 55.803 -0.125 0.000 0.838 153 Q CB 0.109 28.774 28.738 -0.121 0.000 0.900 153 Q HN 0.319 nan 8.270 nan 0.000 0.436 154 L N 0.065 121.104 121.223 -0.307 0.000 2.012 154 L HA -0.207 4.153 4.340 0.033 0.000 0.210 154 L C 2.480 179.269 176.870 -0.134 0.000 1.073 154 L CA 1.660 56.342 54.840 -0.262 0.000 0.748 154 L CB -0.676 41.174 42.059 -0.350 0.000 0.891 154 L HN 0.315 nan 8.230 nan 0.000 0.431 155 T N -0.143 114.342 114.554 -0.116 0.000 2.699 155 T HA -0.225 4.145 4.350 0.033 0.000 0.268 155 T C 1.891 176.558 174.700 -0.054 0.000 1.036 155 T CA 1.462 63.517 62.100 -0.075 0.000 1.147 155 T CB -0.214 68.607 68.868 -0.078 0.000 0.862 155 T HN 0.484 nan 8.240 nan 0.000 0.446 156 A N 0.637 123.426 122.820 -0.052 0.000 1.969 156 A HA 0.096 4.436 4.320 0.033 0.000 0.218 156 A C 2.270 179.848 177.584 -0.010 0.000 1.169 156 A CA 0.981 53.003 52.037 -0.025 0.000 0.635 156 A CB -0.619 18.370 19.000 -0.019 0.000 0.810 156 A HN 0.478 nan 8.150 nan 0.000 0.445 157 L N -0.823 120.392 121.223 -0.014 0.000 2.072 157 L HA -0.088 4.272 4.340 0.033 0.000 0.205 157 L C 2.414 179.263 176.870 -0.035 0.000 1.079 157 L CA 0.973 55.831 54.840 0.031 0.000 0.752 157 L CB -0.365 41.727 42.059 0.055 0.000 0.906 157 L HN 0.365 nan 8.230 nan 0.000 0.436 158 I N -0.597 119.929 120.570 -0.073 0.000 2.233 158 I HA -0.141 4.049 4.170 0.033 0.000 0.243 158 I C 1.683 177.748 176.117 -0.087 0.000 1.093 158 I CA 1.290 62.515 61.300 -0.126 0.000 1.380 158 I CB -0.418 37.550 38.000 -0.055 0.000 1.067 158 I HN 0.467 nan 8.210 nan 0.000 0.413 159 G N -0.601 108.190 108.800 -0.016 0.000 2.159 159 G HA2 -0.288 3.692 3.960 0.033 0.000 0.227 159 G HA3 -0.288 3.692 3.960 0.033 0.000 0.227 159 G C -0.137 174.837 174.900 0.124 0.000 0.986 159 G CA -0.041 45.076 45.100 0.029 0.000 0.651 159 G HN 0.320 nan 8.290 nan 0.000 0.523 160 Y N -0.118 120.150 120.300 -0.053 0.000 2.689 160 Y HA 0.611 5.181 4.550 0.034 0.000 0.333 160 Y C -1.688 174.188 175.900 -0.041 0.000 1.190 160 Y CA -1.190 56.888 58.100 -0.038 0.000 1.063 160 Y CB 2.101 40.540 38.460 -0.034 0.000 1.294 160 Y HN -0.003 nan 8.280 nan 0.000 0.466 161 D N 1.750 121.763 120.400 -0.645 0.000 2.461 161 D HA 0.258 4.918 4.640 0.033 0.000 0.240 161 D C 0.452 176.649 176.300 -0.173 0.000 1.094 161 D CA -0.160 53.634 54.000 -0.344 0.000 0.868 161 D CB 1.435 42.011 40.800 -0.374 0.000 1.062 161 D HN 0.474 nan 8.370 nan 0.000 0.530 162 V N 2.031 121.954 119.914 0.016 0.000 3.444 162 V HA 0.023 4.163 4.120 0.033 0.000 0.271 162 V C 1.388 177.496 176.094 0.024 0.000 1.188 162 V CA 1.507 63.851 62.300 0.073 0.000 1.168 162 V CB -1.031 30.832 31.823 0.067 0.000 0.810 162 V HN 0.610 nan 8.190 nan 0.000 0.500 163 T N -3.007 111.534 114.554 -0.021 0.000 3.054 163 T HA 0.164 4.534 4.350 0.033 0.000 0.255 163 T C 0.443 175.125 174.700 -0.030 0.000 1.035 163 T CA 0.341 62.432 62.100 -0.015 0.000 0.941 163 T CB -0.233 68.624 68.868 -0.019 0.000 1.026 163 T HN 0.611 nan 8.240 nan 0.000 0.533 164 D N 1.407 121.768 120.400 -0.064 0.000 2.341 164 D HA 0.315 4.975 4.640 0.033 0.000 0.245 164 D C 0.817 177.109 176.300 -0.015 0.000 1.106 164 D CA -0.214 53.739 54.000 -0.078 0.000 0.905 164 D CB 1.423 42.107 40.800 -0.193 0.000 1.202 164 D HN 0.160 nan 8.370 nan 0.000 0.426 165 V N 0.373 120.281 119.914 -0.011 0.000 3.265 165 V HA 0.186 4.326 4.120 0.033 0.000 0.346 165 V C 1.074 177.173 176.094 0.008 0.000 1.447 165 V CA 0.320 62.629 62.300 0.014 0.000 1.179 165 V CB -0.528 31.307 31.823 0.021 0.000 1.103 165 V HN 0.551 nan 8.190 nan 0.000 0.530 166 S N 0.448 116.144 115.700 -0.007 0.000 2.423 166 S HA -0.037 4.453 4.470 0.033 0.000 0.231 166 S C 1.155 175.745 174.600 -0.017 0.000 1.014 166 S CA 1.664 59.853 58.200 -0.019 0.000 0.965 166 S CB -0.501 62.677 63.200 -0.037 0.000 0.785 166 S HN 0.720 nan 8.310 nan 0.000 0.495 167 N N 0.415 119.119 118.700 0.008 0.000 2.696 167 N HA 0.471 5.231 4.740 0.033 0.000 0.308 167 N C -1.286 174.222 175.510 -0.003 0.000 1.915 167 N CA -0.270 52.778 53.050 -0.004 0.000 0.906 167 N CB 1.064 39.555 38.487 0.006 0.000 1.284 167 N HN 0.152 nan 8.380 nan 0.000 0.488 168 V N 0.669 120.585 119.914 0.004 0.000 3.130 168 V HA 0.425 4.565 4.120 0.033 0.000 0.310 168 V C 0.054 176.179 176.094 0.052 0.000 1.158 168 V CA -0.670 61.615 62.300 -0.025 0.000 1.029 168 V CB 2.167 34.000 31.823 0.016 0.000 1.057 168 V HN 0.666 nan 8.190 nan 0.000 0.436 169 H N -0.112 119.033 119.070 0.124 0.000 3.480 169 H HA 0.493 5.069 4.556 0.033 0.000 0.257 169 H C -0.451 174.977 175.328 0.165 0.000 1.196 169 H CA 0.151 56.286 56.048 0.145 0.000 1.100 169 H CB 1.179 31.078 29.762 0.228 0.000 1.683 169 H HN 0.720 nan 8.280 nan 0.000 0.702 170 D N 0.622 121.249 120.400 0.378 0.000 2.755 170 D HA -0.047 4.613 4.640 0.033 0.000 0.277 170 D C -0.861 175.565 176.300 0.210 0.000 1.261 170 D CA -0.564 53.638 54.000 0.336 0.000 0.759 170 D CB 0.939 42.029 40.800 0.484 0.000 1.279 170 D HN 0.052 nan 8.370 nan 0.000 0.420 171 D N 0.437 120.962 120.400 0.208 0.000 2.519 171 D HA 0.038 4.699 4.640 0.033 0.000 0.238 171 D C 0.747 177.072 176.300 0.041 0.000 1.192 171 D CA -0.097 53.996 54.000 0.155 0.000 0.835 171 D CB 0.299 41.214 40.800 0.193 0.000 0.975 171 D HN 0.581 nan 8.370 nan 0.000 0.490 172 E N 0.243 120.397 120.200 -0.077 0.000 2.077 172 E HA -0.135 4.235 4.350 0.033 0.000 0.193 172 E C 1.872 178.513 176.600 0.069 0.000 0.989 172 E CA 0.641 56.838 56.400 -0.338 0.000 0.800 172 E CB 0.102 29.699 29.700 -0.170 0.000 0.746 172 E HN 0.360 nan 8.360 nan 0.000 0.452 173 L N 0.838 122.150 121.223 0.147 0.000 2.017 173 L HA -0.186 4.174 4.340 0.033 0.000 0.208 173 L C 2.756 179.675 176.870 0.083 0.000 1.073 173 L CA 1.043 55.934 54.840 0.085 0.000 0.745 173 L CB -0.426 41.632 42.059 -0.002 0.000 0.894 173 L HN 0.117 nan 8.230 nan 0.000 0.432 174 E N 0.082 120.338 120.200 0.094 0.000 2.077 174 E HA -0.242 4.128 4.350 0.033 0.000 0.193 174 E C 2.035 178.701 176.600 0.109 0.000 0.989 174 E CA 1.249 57.704 56.400 0.092 0.000 0.800 174 E CB -0.249 29.512 29.700 0.101 0.000 0.746 174 E HN 0.390 nan 8.360 nan 0.000 0.452 175 F N 1.187 121.137 119.950 0.001 0.000 2.126 175 F HA -0.205 4.342 4.527 0.033 0.000 0.299 175 F C 2.209 178.024 175.800 0.026 0.000 1.096 175 F CA 1.985 59.998 58.000 0.021 0.000 1.255 175 F CB -0.391 38.584 39.000 -0.042 0.000 0.997 175 F HN -0.041 nan 8.300 nan 0.000 0.479 176 T N 0.599 115.230 114.554 0.128 0.000 2.857 176 T HA -0.103 4.267 4.350 0.033 0.000 0.266 176 T C 2.004 176.702 174.700 -0.004 0.000 1.048 176 T CA 1.218 63.361 62.100 0.071 0.000 1.139 176 T CB -0.221 68.748 68.868 0.169 0.000 0.874 176 T HN 0.253 nan 8.240 nan 0.000 0.455 177 R N 0.961 121.465 120.500 0.007 0.000 2.080 177 R HA -0.017 4.343 4.340 0.033 0.000 0.236 177 R C 2.774 179.055 176.300 -0.031 0.000 1.137 177 R CA 1.389 57.491 56.100 0.003 0.000 0.943 177 R CB -0.215 30.096 30.300 0.018 0.000 0.846 177 R HN 0.346 nan 8.270 nan 0.000 0.431 178 R N -0.384 120.075 120.500 -0.069 0.000 2.091 178 R HA -0.104 4.256 4.340 0.033 0.000 0.238 178 R C 2.420 178.632 176.300 -0.147 0.000 1.136 178 R CA 1.405 57.444 56.100 -0.102 0.000 0.959 178 R CB -0.615 29.607 30.300 -0.130 0.000 0.856 178 R HN 0.358 nan 8.270 nan 0.000 0.437 179 G N 0.908 109.563 108.800 -0.242 0.000 2.448 179 G HA2 -0.188 3.792 3.960 0.033 0.000 0.219 179 G HA3 -0.188 3.792 3.960 0.033 0.000 0.219 179 G C 1.352 176.204 174.900 -0.080 0.000 1.127 179 G CA 0.376 45.345 45.100 -0.218 0.000 0.766 179 G HN 0.159 nan 8.290 nan 0.000 0.552 180 L N 0.278 121.476 121.223 -0.041 0.000 2.492 180 L HA 0.068 4.428 4.340 0.033 0.000 0.223 180 L C 2.716 179.588 176.870 0.004 0.000 1.132 180 L CA -0.274 54.568 54.840 0.004 0.000 0.850 180 L CB -0.054 42.021 42.059 0.028 0.000 0.966 180 L HN 0.036 nan 8.230 nan 0.000 0.454 181 V N 0.141 120.048 119.914 -0.013 0.000 2.250 181 V HA -0.370 3.770 4.120 0.033 0.000 0.250 181 V C 2.577 178.668 176.094 -0.005 0.000 1.060 181 V CA 2.653 64.948 62.300 -0.008 0.000 1.030 181 V CB -0.723 31.089 31.823 -0.018 0.000 0.643 181 V HN 0.474 nan 8.190 nan 0.000 0.445 182 T N -0.128 114.420 114.554 -0.010 0.000 2.708 182 T HA -0.112 4.258 4.350 0.033 0.000 0.266 182 T C 0.002 174.706 174.700 0.007 0.000 1.037 182 T CA 2.075 64.174 62.100 -0.003 0.000 1.146 182 T CB -1.149 67.718 68.868 -0.003 0.000 0.865 182 T HN 0.448 nan 8.240 nan 0.000 0.435 183 P HA -0.095 nan 4.420 nan 0.000 0.215 183 P C 1.520 178.833 177.300 0.023 0.000 1.153 183 P CA 1.154 64.272 63.100 0.030 0.000 0.853 183 P CB -0.019 31.708 31.700 0.045 0.000 0.788 184 R N -0.299 120.212 120.500 0.020 0.000 2.075 184 R HA -0.109 4.251 4.340 0.033 0.000 0.230 184 R C 2.202 178.495 176.300 -0.011 0.000 1.140 184 R CA 2.134 58.240 56.100 0.010 0.000 0.928 184 R CB -1.026 29.280 30.300 0.011 0.000 0.834 184 R HN 0.034 nan 8.270 nan 0.000 0.429 185 M N 0.429 120.022 119.600 -0.012 0.000 2.106 185 M HA -0.179 4.321 4.480 0.033 0.000 0.259 185 M C 2.475 178.761 176.300 -0.023 0.000 1.068 185 M CA 1.998 57.285 55.300 -0.022 0.000 1.100 185 M CB -0.325 32.264 32.600 -0.017 0.000 1.351 185 M HN 0.485 nan 8.290 nan 0.000 0.404 186 A N -0.388 122.426 122.820 -0.011 0.000 1.933 186 A HA -0.202 4.138 4.320 0.033 0.000 0.218 186 A C 1.955 179.529 177.584 -0.015 0.000 1.175 186 A CA 2.083 54.116 52.037 -0.007 0.000 0.628 186 A CB -0.544 18.459 19.000 0.006 0.000 0.814 186 A HN 0.447 nan 8.150 nan 0.000 0.444 187 E N -0.271 119.918 120.200 -0.019 0.000 2.112 187 E HA -0.044 4.326 4.350 0.033 0.000 0.190 187 E C 1.842 178.396 176.600 -0.076 0.000 0.979 187 E CA 1.149 57.530 56.400 -0.033 0.000 0.814 187 E CB -0.366 29.323 29.700 -0.018 0.000 0.762 187 E HN 0.217 nan 8.360 nan 0.000 0.460 188 V N 1.193 121.055 119.914 -0.087 0.000 2.252 188 V HA -0.316 3.824 4.120 0.033 0.000 0.249 188 V C 2.409 178.437 176.094 -0.111 0.000 1.056 188 V CA 2.133 64.355 62.300 -0.131 0.000 1.022 188 V CB -1.110 30.652 31.823 -0.101 0.000 0.641 188 V HN 0.448 nan 8.190 nan 0.000 0.445 189 A N -0.998 121.781 122.820 -0.069 0.000 2.019 189 A HA -0.205 4.135 4.320 0.033 0.000 0.219 189 A C 2.500 180.057 177.584 -0.045 0.000 1.164 189 A CA 2.086 54.093 52.037 -0.051 0.000 0.644 189 A CB -0.547 18.433 19.000 -0.033 0.000 0.805 189 A HN 0.507 nan 8.150 nan 0.000 0.449 190 S N -0.289 115.384 115.700 -0.045 0.000 2.425 190 S HA -0.041 4.449 4.470 0.033 0.000 0.225 190 S C 1.224 175.802 174.600 -0.037 0.000 1.024 190 S CA 0.174 58.356 58.200 -0.030 0.000 0.951 190 S CB -0.310 62.880 63.200 -0.016 0.000 0.796 190 S HN 0.732 nan 8.310 nan 0.000 0.498 191 R N 1.556 122.011 120.500 -0.075 0.000 2.491 191 R HA 0.205 4.565 4.340 0.033 0.000 0.283 191 R C -0.858 175.417 176.300 -0.042 0.000 1.072 191 R CA -0.229 55.825 56.100 -0.077 0.000 1.048 191 R CB 0.015 30.194 30.300 -0.201 0.000 0.983 191 R HN 0.053 nan 8.270 nan 0.000 0.450 192 D N 5.105 125.512 120.400 0.012 0.000 2.363 192 D HA 0.054 4.714 4.640 0.033 0.000 0.263 192 D C -1.234 175.105 176.300 0.065 0.000 1.258 192 D CA -2.056 51.965 54.000 0.034 0.000 0.907 192 D CB 1.227 42.056 40.800 0.048 0.000 1.107 192 D HN 0.403 nan 8.370 nan 0.000 0.495 193 P HA -0.258 nan 4.420 nan 0.000 0.217 193 P C 1.135 178.493 177.300 0.096 0.000 1.151 193 P CA 1.332 64.478 63.100 0.078 0.000 0.849 193 P CB 0.276 31.998 31.700 0.038 0.000 0.787 194 K N -0.012 120.423 120.400 0.058 0.000 2.031 194 K HA -0.039 4.301 4.320 0.033 0.000 0.205 194 K C 2.399 179.015 176.600 0.027 0.000 1.049 194 K CA 0.815 57.118 56.287 0.026 0.000 0.939 194 K CB -0.482 32.025 32.500 0.012 0.000 0.717 194 K HN 0.070 nan 8.250 nan 0.000 0.438 195 L N 0.227 121.489 121.223 0.065 0.000 2.156 195 L HA -0.144 4.216 4.340 0.033 0.000 0.208 195 L C 2.464 179.412 176.870 0.130 0.000 1.095 195 L CA 0.892 55.778 54.840 0.077 0.000 0.770 195 L CB -0.434 41.680 42.059 0.091 0.000 0.914 195 L HN 0.263 nan 8.230 nan 0.000 0.439 196 Y N 0.706 121.025 120.300 0.031 0.000 2.224 196 Y HA -0.241 4.329 4.550 0.033 0.000 0.289 196 Y C 2.424 178.363 175.900 0.065 0.000 1.146 196 Y CA 1.094 59.225 58.100 0.052 0.000 1.182 196 Y CB -0.238 38.241 38.460 0.031 0.000 0.983 196 Y HN 0.104 nan 8.280 nan 0.000 0.524 197 A N -0.039 122.801 122.820 0.033 0.000 1.898 197 A HA -0.146 4.194 4.320 0.033 0.000 0.216 197 A C 2.171 179.716 177.584 -0.065 0.000 1.181 197 A CA 1.869 53.864 52.037 -0.070 0.000 0.620 197 A CB -0.612 18.359 19.000 -0.049 0.000 0.819 197 A HN 0.530 nan 8.150 nan 0.000 0.442 198 M N 0.165 119.685 119.600 -0.133 0.000 2.502 198 M HA 0.034 4.534 4.480 0.033 0.000 0.243 198 M C 0.313 176.424 176.300 -0.315 0.000 1.130 198 M CA 0.370 55.478 55.300 -0.319 0.000 1.055 198 M CB -0.253 32.083 32.600 -0.441 0.000 1.457 198 M HN 0.761 nan 8.290 nan 0.000 0.488 199 H N -0.116 118.935 119.070 -0.032 0.000 2.315 199 H HA -0.095 4.481 4.556 0.033 0.000 0.326 199 H C -2.396 173.011 175.328 0.133 0.000 0.994 199 H CA -0.167 55.894 56.048 0.021 0.000 1.105 199 H CB -2.260 27.467 29.762 -0.059 0.000 1.537 199 H HN 0.246 nan 8.280 nan 0.000 0.384 200 P HA -0.123 nan 4.420 nan 0.000 0.264 200 P C 0.117 177.600 177.300 0.304 0.000 1.179 200 P CA 0.264 63.484 63.100 0.199 0.000 0.763 200 P CB 0.496 32.346 31.700 0.250 0.000 0.806 201 W N 5.732 127.124 121.300 0.154 0.000 2.298 201 W HA 0.423 5.103 4.660 0.033 0.000 0.327 201 W C -1.629 174.927 176.519 0.063 0.000 0.988 201 W CA -0.881 56.542 57.345 0.129 0.000 1.448 201 W CB 0.148 29.709 29.460 0.169 0.000 1.243 201 W HN 0.065 nan 8.180 nan 0.000 0.388 202 V N 4.401 124.448 119.914 0.222 0.000 3.046 202 V HA 0.706 4.846 4.120 0.033 0.000 0.316 202 V C -0.087 176.015 176.094 0.013 0.000 1.104 202 V CA -0.845 61.395 62.300 -0.099 0.000 1.006 202 V CB 1.956 33.587 31.823 -0.320 0.000 1.058 202 V HN 0.350 nan 8.190 nan 0.000 0.440 203 T N -0.023 114.489 114.554 -0.070 0.000 2.903 203 T HA 0.394 4.764 4.350 0.033 0.000 0.299 203 T C 0.385 175.066 174.700 -0.032 0.000 1.093 203 T CA -0.156 61.942 62.100 -0.004 0.000 1.002 203 T CB 1.994 70.859 68.868 -0.004 0.000 1.127 203 T HN 0.567 nan 8.240 nan 0.000 0.488 204 S N 1.715 117.416 115.700 0.001 0.000 2.524 204 S HA 0.228 4.718 4.470 0.033 0.000 0.215 204 S C 0.497 175.097 174.600 0.000 0.000 0.986 204 S CA -0.212 57.986 58.200 -0.004 0.000 0.911 204 S CB 0.030 63.236 63.200 0.010 0.000 0.805 204 S HN 0.596 nan 8.310 nan 0.000 0.501 205 K N 3.001 123.403 120.400 0.003 0.000 2.319 205 K HA 0.167 4.507 4.320 0.033 0.000 0.265 205 K C -2.470 174.126 176.600 -0.007 0.000 1.000 205 K CA -1.230 55.057 56.287 0.001 0.000 0.943 205 K CB -0.130 32.371 32.500 0.002 0.000 0.950 205 K HN 0.112 nan 8.250 nan 0.000 0.485 206 P HA 0.008 nan 4.420 nan 0.000 0.272 206 P C -0.436 176.852 177.300 -0.020 0.000 1.230 206 P CA -0.295 62.819 63.100 0.022 0.000 0.788 206 P CB 0.640 32.368 31.700 0.047 0.000 0.949 207 L N 3.850 125.057 121.223 -0.027 0.000 2.418 207 L HA 0.168 4.528 4.340 0.033 0.000 0.274 207 L C -1.557 175.216 176.870 -0.161 0.000 1.135 207 L CA -1.741 52.975 54.840 -0.206 0.000 0.870 207 L CB 0.605 42.336 42.059 -0.547 0.000 1.154 207 L HN 0.308 nan 8.230 nan 0.000 0.462 208 P HA -0.080 nan 4.420 nan 0.000 0.269 208 P C 0.248 177.351 177.300 -0.329 0.000 1.217 208 P CA -0.044 62.794 63.100 -0.437 0.000 0.783 208 P CB 0.726 31.836 31.700 -0.985 0.000 0.898 209 E N 1.685 121.751 120.200 -0.223 0.000 2.085 209 E HA -0.232 4.138 4.350 0.033 0.000 0.194 209 E C 1.454 178.054 176.600 -0.000 0.000 0.994 209 E CA 1.226 57.629 56.400 0.006 0.000 0.801 209 E CB -0.474 29.242 29.700 0.027 0.000 0.743 209 E HN 0.595 nan 8.360 nan 0.000 0.453 210 Y N -0.747 119.603 120.300 0.084 0.000 2.680 210 Y HA 0.030 4.599 4.550 0.033 0.000 0.303 210 Y C 1.517 177.422 175.900 0.007 0.000 1.166 210 Y CA 0.207 58.332 58.100 0.040 0.000 1.344 210 Y CB -0.129 38.341 38.460 0.016 0.000 1.002 210 Y HN 0.045 nan 8.280 nan 0.000 0.537 211 L N -2.221 118.979 121.223 -0.038 0.000 2.537 211 L HA 0.092 4.452 4.340 0.033 0.000 0.224 211 L C 1.498 178.316 176.870 -0.087 0.000 1.065 211 L CA 0.401 55.201 54.840 -0.067 0.000 0.860 211 L CB -0.746 41.189 42.059 -0.207 0.000 1.086 211 L HN 0.384 nan 8.230 nan 0.000 0.482 212 W N 1.206 122.473 121.300 -0.056 0.000 2.425 212 W HA -0.210 4.470 4.660 0.033 0.000 0.277 212 W C 2.478 178.989 176.519 -0.013 0.000 1.231 212 W CA 0.717 58.039 57.345 -0.037 0.000 1.248 212 W CB 0.143 29.574 29.460 -0.047 0.000 1.117 212 W HN -0.005 nan 8.180 nan 0.000 0.568 213 K N 1.462 121.995 120.400 0.223 0.000 2.113 213 K HA -0.245 4.095 4.320 0.033 0.000 0.208 213 K C 1.708 178.376 176.600 0.114 0.000 1.047 213 K CA 1.628 58.003 56.287 0.146 0.000 0.928 213 K CB -0.330 32.237 32.500 0.111 0.000 0.716 213 K HN -0.022 nan 8.250 nan 0.000 0.446 214 K N -0.274 120.177 120.400 0.086 0.000 2.525 214 K HA 0.034 4.374 4.320 0.033 0.000 0.192 214 K C -0.722 175.928 176.600 0.082 0.000 1.029 214 K CA 0.346 56.667 56.287 0.057 0.000 1.029 214 K CB 0.206 32.713 32.500 0.011 0.000 0.814 214 K HN 0.079 nan 8.250 nan 0.000 0.503 215 I N 0.756 121.410 120.570 0.140 0.000 2.641 215 I HA 0.190 4.380 4.170 0.033 0.000 0.275 215 I C -0.496 175.772 176.117 0.251 0.000 1.129 215 I CA -0.215 61.198 61.300 0.188 0.000 1.094 215 I CB 1.804 39.919 38.000 0.192 0.000 1.232 215 I HN -0.092 nan 8.210 nan 0.000 0.503 216 A N 4.648 127.561 122.820 0.155 0.000 2.911 216 A HA 0.438 4.778 4.320 0.033 0.000 0.304 216 A C 0.704 178.334 177.584 0.077 0.000 1.144 216 A CA -0.205 51.897 52.037 0.107 0.000 0.988 216 A CB -0.425 18.622 19.000 0.079 0.000 1.141 216 A HN 0.643 nan 8.150 nan 0.000 0.552 217 N N -0.506 118.247 118.700 0.089 0.000 1.997 217 N HA -0.051 4.709 4.740 0.033 0.000 0.225 217 N C 0.123 175.660 175.510 0.046 0.000 1.383 217 N CA 0.260 53.345 53.050 0.058 0.000 0.770 217 N CB -0.506 38.022 38.487 0.068 0.000 1.178 217 N HN 0.387 nan 8.380 nan 0.000 0.515 218 N N 0.268 119.021 118.700 0.089 0.000 2.714 218 N HA -0.179 4.581 4.740 0.033 0.000 0.250 218 N C -1.345 174.185 175.510 0.033 0.000 1.117 218 N CA 0.816 53.926 53.050 0.101 0.000 0.719 218 N CB -1.471 37.046 38.487 0.050 0.000 1.081 218 N HN 0.412 nan 8.380 nan 0.000 0.557 219 C N 0.630 119.921 119.300 -0.016 0.000 2.698 219 C HA 0.743 5.223 4.460 0.033 0.000 0.309 219 C C 0.173 175.025 174.990 -0.230 0.000 1.186 219 C CA -0.761 58.159 59.018 -0.163 0.000 1.474 219 C CB 1.588 29.173 27.740 -0.258 0.000 2.020 219 C HN 0.276 nan 8.230 nan 0.000 0.474 220 I N 1.924 122.308 120.570 -0.310 0.000 2.582 220 I HA 0.439 4.629 4.170 0.033 0.000 0.292 220 I C -1.123 174.792 176.117 -0.337 0.000 1.066 220 I CA -0.317 60.846 61.300 -0.229 0.000 1.053 220 I CB 1.507 39.442 38.000 -0.108 0.000 1.241 220 I HN 0.451 nan 8.210 nan 0.000 0.421 221 F N 6.080 126.009 119.950 -0.036 0.000 2.391 221 F HA 0.438 4.985 4.527 0.033 0.000 0.359 221 F C 0.072 175.828 175.800 -0.073 0.000 1.122 221 F CA -0.623 57.351 58.000 -0.044 0.000 1.120 221 F CB 0.740 39.715 39.000 -0.042 0.000 1.142 221 F HN 0.071 nan 8.300 nan 0.000 0.483 222 I N 4.621 125.231 120.570 0.067 0.000 2.354 222 I HA 0.263 4.453 4.170 0.033 0.000 0.292 222 I C -0.336 175.776 176.117 -0.009 0.000 0.989 222 I CA -0.950 60.344 61.300 -0.009 0.000 1.188 222 I CB 1.345 39.315 38.000 -0.049 0.000 1.342 222 I HN 0.163 nan 8.210 nan 0.000 0.457 223 V N 7.358 127.226 119.914 -0.078 0.000 2.339 223 V HA 0.268 4.408 4.120 0.033 0.000 0.261 223 V C 0.249 176.430 176.094 0.145 0.000 1.058 223 V CA -0.470 61.828 62.300 -0.003 0.000 0.897 223 V CB 0.567 32.283 31.823 -0.179 0.000 1.052 223 V HN 0.383 nan 8.190 nan 0.000 0.480 224 I N 5.577 126.220 120.570 0.122 0.000 2.371 224 I HA 0.408 4.598 4.170 0.033 0.000 0.290 224 I C 0.212 176.497 176.117 0.281 0.000 1.028 224 I CA 0.194 61.528 61.300 0.057 0.000 1.345 224 I CB 0.448 38.279 38.000 -0.281 0.000 1.407 224 I HN 0.517 nan 8.210 nan 0.000 0.501 225 H N 5.191 124.212 119.070 -0.082 0.000 2.616 225 H HA 0.817 5.393 4.556 0.033 0.000 0.353 225 H C -0.335 174.955 175.328 -0.063 0.000 1.170 225 H CA -1.180 54.849 56.048 -0.033 0.000 1.212 225 H CB 1.299 31.054 29.762 -0.012 0.000 1.653 225 H HN 0.236 nan 8.280 nan 0.000 0.537 226 R N 1.134 121.700 120.500 0.109 0.000 3.124 226 R HA 0.299 4.659 4.340 0.033 0.000 0.212 226 R C -0.304 176.018 176.300 0.038 0.000 1.677 226 R CA 0.170 56.291 56.100 0.035 0.000 1.186 226 R CB -0.855 29.466 30.300 0.035 0.000 1.571 226 R HN 0.791 nan 8.270 nan 0.000 0.583 227 S N -0.584 115.138 115.700 0.037 0.000 4.152 227 S HA -0.283 4.207 4.470 0.033 0.000 0.624 227 S C 1.025 175.641 174.600 0.027 0.000 1.875 227 S CA 1.868 60.084 58.200 0.028 0.000 4.242 227 S CB -1.484 61.729 63.200 0.021 0.000 0.203 227 S HN 0.814 nan 8.310 nan 0.000 0.467 228 T N 0.617 115.181 114.554 0.017 0.000 3.081 228 T HA 0.358 4.728 4.350 0.033 0.000 0.250 228 T C 0.771 175.464 174.700 -0.011 0.000 1.100 228 T CA 1.271 63.374 62.100 0.004 0.000 1.038 228 T CB -0.372 68.500 68.868 0.007 0.000 0.962 228 T HN 0.671 nan 8.240 nan 0.000 0.516 229 T N 2.826 117.381 114.554 0.001 0.000 2.788 229 T HA 0.529 4.899 4.350 0.033 0.000 0.280 229 T C -0.028 174.629 174.700 -0.072 0.000 0.984 229 T CA -0.321 61.777 62.100 -0.002 0.000 0.972 229 T CB 1.010 69.909 68.868 0.051 0.000 1.039 229 T HN 0.577 nan 8.240 nan 0.000 0.530 230 S N -0.041 115.617 115.700 -0.070 0.000 2.508 230 S HA 0.205 4.695 4.470 0.033 0.000 0.182 230 S C -0.880 173.694 174.600 -0.043 0.000 0.683 230 S CA -0.992 57.098 58.200 -0.184 0.000 0.912 230 S CB 0.271 63.197 63.200 -0.457 0.000 1.441 230 S HN 0.606 nan 8.310 nan 0.000 0.414 231 Q N 1.667 121.512 119.800 0.076 0.000 2.306 231 Q HA 0.744 5.104 4.340 0.033 0.000 0.175 231 Q C -0.111 175.948 176.000 0.100 0.000 1.107 231 Q CA 0.350 56.223 55.803 0.116 0.000 1.170 231 Q CB 0.527 29.407 28.738 0.236 0.000 1.376 231 Q HN 0.772 nan 8.270 nan 0.000 0.618 232 T N 0.895 115.524 114.554 0.124 0.000 4.205 232 T HA 0.298 4.668 4.350 0.033 0.000 0.219 232 T C -0.961 173.839 174.700 0.167 0.000 0.975 232 T CA -0.471 61.707 62.100 0.131 0.000 1.484 232 T CB -0.316 68.622 68.868 0.116 0.000 0.805 232 T HN 0.356 nan 8.240 nan 0.000 0.616 233 I N 3.312 123.971 120.570 0.147 0.000 2.752 233 I HA 0.075 4.265 4.170 0.033 0.000 0.286 233 I C 0.668 176.807 176.117 0.037 0.000 1.180 233 I CA -0.256 61.112 61.300 0.114 0.000 1.404 233 I CB -0.025 38.061 38.000 0.144 0.000 1.389 233 I HN 0.224 nan 8.210 nan 0.000 0.549 234 K N 6.400 126.787 120.400 -0.022 0.000 2.350 234 K HA 0.567 4.907 4.320 0.033 0.000 0.279 234 K C -0.539 175.958 176.600 -0.172 0.000 1.027 234 K CA -0.397 55.751 56.287 -0.232 0.000 0.969 234 K CB 0.365 32.705 32.500 -0.267 0.000 0.954 234 K HN 0.283 nan 8.250 nan 0.000 0.474 235 V N 0.882 120.663 119.914 -0.222 0.000 3.102 235 V HA 0.490 4.630 4.120 0.033 0.000 0.312 235 V C -0.476 175.548 176.094 -0.117 0.000 1.135 235 V CA -1.117 61.109 62.300 -0.124 0.000 1.022 235 V CB 2.491 34.262 31.823 -0.086 0.000 1.056 235 V HN 0.843 nan 8.190 nan 0.000 0.436 236 S N 2.044 117.712 115.700 -0.053 0.000 2.475 236 S HA 0.411 4.901 4.470 0.033 0.000 0.298 236 S C -2.009 172.599 174.600 0.013 0.000 1.119 236 S CA -1.051 57.140 58.200 -0.014 0.000 1.085 236 S CB 1.961 65.164 63.200 0.005 0.000 1.028 236 S HN 0.623 nan 8.310 nan 0.000 0.489 237 P HA -0.121 nan 4.420 nan 0.000 0.219 237 P C -0.254 177.089 177.300 0.072 0.000 1.144 237 P CA 1.237 64.366 63.100 0.047 0.000 0.806 237 P CB -0.003 31.759 31.700 0.102 0.000 0.771 238 D N -2.511 117.938 120.400 0.082 0.000 2.402 238 D HA 0.045 4.705 4.640 0.033 0.000 0.216 238 D C -0.250 176.088 176.300 0.063 0.000 1.128 238 D CA -0.069 53.978 54.000 0.078 0.000 0.833 238 D CB -0.271 40.577 40.800 0.080 0.000 0.971 238 D HN 0.066 nan 8.370 nan 0.000 0.503 239 D N 1.375 121.806 120.400 0.052 0.000 2.325 239 D HA 0.083 4.743 4.640 0.033 0.000 0.251 239 D C 0.343 176.680 176.300 0.062 0.000 1.196 239 D CA 0.252 54.278 54.000 0.043 0.000 0.866 239 D CB 0.975 41.787 40.800 0.020 0.000 1.101 239 D HN -0.080 nan 8.370 nan 0.000 0.476 240 T N 3.471 118.067 114.554 0.069 0.000 2.932 240 T HA 0.050 4.420 4.350 0.033 0.000 0.312 240 T C -1.271 173.472 174.700 0.072 0.000 1.071 240 T CA -1.027 61.129 62.100 0.093 0.000 1.128 240 T CB 1.002 69.918 68.868 0.081 0.000 0.984 240 T HN 0.199 nan 8.240 nan 0.000 0.549 241 P HA -0.084 nan 4.420 nan 0.000 0.210 241 P C 1.662 178.967 177.300 0.008 0.000 1.185 241 P CA 1.111 64.216 63.100 0.008 0.000 0.924 241 P CB -0.219 31.488 31.700 0.012 0.000 0.786 242 G N -0.567 108.257 108.800 0.040 0.000 2.568 242 G HA2 -0.204 3.776 3.960 0.033 0.000 0.220 242 G HA3 -0.204 3.776 3.960 0.033 0.000 0.220 242 G C 1.058 175.988 174.900 0.050 0.000 1.104 242 G CA 0.814 45.942 45.100 0.047 0.000 0.738 242 G HN 0.451 nan 8.290 nan 0.000 0.574 243 A N -0.574 122.272 122.820 0.044 0.000 2.708 243 A HA 0.686 5.026 4.320 0.033 0.000 0.293 243 A C 1.136 178.741 177.584 0.035 0.000 1.303 243 A CA -0.267 51.798 52.037 0.046 0.000 0.949 243 A CB 0.154 19.182 19.000 0.047 0.000 1.121 243 A HN 0.312 nan 8.150 nan 0.000 0.542 244 I N -2.455 118.127 120.570 0.020 0.000 5.157 244 I HA 0.095 4.285 4.170 0.033 0.000 0.350 244 I C 1.464 177.589 176.117 0.014 0.000 1.233 244 I CA 0.239 61.548 61.300 0.014 0.000 1.476 244 I CB 0.310 38.298 38.000 -0.019 0.000 1.619 244 I HN 0.238 nan 8.210 nan 0.000 0.557 245 L N 0.875 122.076 121.223 -0.037 0.000 2.291 245 L HA -0.072 4.288 4.340 0.033 0.000 0.214 245 L C 2.388 179.265 176.870 0.012 0.000 1.120 245 L CA 0.962 55.715 54.840 -0.145 0.000 0.799 245 L CB -0.146 41.780 42.059 -0.222 0.000 0.925 245 L HN 0.281 nan 8.230 nan 0.000 0.446 246 Q N -0.527 119.330 119.800 0.094 0.000 2.212 246 Q HA -0.038 4.322 4.340 0.033 0.000 0.199 246 Q C 2.191 178.271 176.000 0.133 0.000 0.950 246 Q CA 1.332 57.230 55.803 0.157 0.000 0.863 246 Q CB -0.072 28.738 28.738 0.121 0.000 0.944 246 Q HN 0.500 nan 8.270 nan 0.000 0.465 247 S N -0.931 114.832 115.700 0.105 0.000 2.710 247 S HA 0.112 4.602 4.470 0.033 0.000 0.224 247 S C 0.942 175.618 174.600 0.127 0.000 0.948 247 S CA -0.349 57.904 58.200 0.088 0.000 0.949 247 S CB -0.168 63.067 63.200 0.059 0.000 0.778 247 S HN 0.264 nan 8.310 nan 0.000 0.498 248 F N 0.417 120.362 119.950 -0.008 0.000 2.043 248 F HA 0.420 4.967 4.527 0.033 0.000 0.236 248 F C 1.466 177.319 175.800 0.090 0.000 1.117 248 F CA -0.718 57.269 58.000 -0.023 0.000 1.263 248 F CB -0.503 38.402 39.000 -0.158 0.000 1.642 248 F HN 0.131 nan 8.300 nan 0.000 0.518 249 F N 0.920 121.000 119.950 0.216 0.000 2.048 249 F HA -0.387 4.160 4.527 0.033 0.000 0.296 249 F C 2.649 178.414 175.800 -0.059 0.000 1.109 249 F CA 1.991 60.044 58.000 0.088 0.000 1.214 249 F CB -0.914 38.199 39.000 0.188 0.000 0.963 249 F HN 0.167 nan 8.300 nan 0.000 0.491 250 T N -0.636 114.042 114.554 0.207 0.000 2.821 250 T HA -0.171 4.199 4.350 0.033 0.000 0.267 250 T C 1.963 176.666 174.700 0.005 0.000 1.046 250 T CA 0.946 63.095 62.100 0.082 0.000 1.139 250 T CB -0.233 68.684 68.868 0.082 0.000 0.871 250 T HN -0.020 nan 8.240 nan 0.000 0.454 251 K N 0.495 120.879 120.400 -0.026 0.000 2.574 251 K HA 0.065 4.405 4.320 0.033 0.000 0.193 251 K C 0.671 177.181 176.600 -0.149 0.000 1.035 251 K CA 0.317 56.561 56.287 -0.072 0.000 0.982 251 K CB -0.140 32.326 32.500 -0.056 0.000 0.795 251 K HN 0.475 nan 8.250 nan 0.000 0.491 269 D N 1.108 121.223 120.400 -0.475 0.000 3.110 269 D HA 0.286 4.946 4.640 0.033 0.000 0.254 269 D C -0.876 175.307 176.300 -0.195 0.000 1.283 269 D CA 0.154 53.994 54.000 -0.267 0.000 0.944 269 D CB -0.555 40.103 40.800 -0.236 0.000 1.066 269 D HN 0.250 nan 8.370 nan 0.000 0.496 270 F N -0.621 119.452 119.950 0.205 0.000 2.654 270 F HA 0.549 5.096 4.527 0.033 0.000 0.334 270 F C 0.015 175.871 175.800 0.094 0.000 1.078 270 F CA -1.375 56.730 58.000 0.174 0.000 0.986 270 F CB 2.076 41.248 39.000 0.286 0.000 1.362 270 F HN -0.243 nan 8.300 nan 0.000 0.498 271 V N 2.180 122.258 119.914 0.273 0.000 3.012 271 V HA 0.491 4.631 4.120 0.033 0.000 0.307 271 V C -1.591 174.526 176.094 0.039 0.000 1.166 271 V CA -0.773 61.601 62.300 0.123 0.000 0.974 271 V CB 2.309 34.204 31.823 0.120 0.000 1.040 271 V HN 0.597 nan 8.190 nan 0.000 0.428 272 L N 6.043 127.247 121.223 -0.031 0.000 2.315 272 L HA 0.597 4.957 4.340 0.033 0.000 0.283 272 L C 0.345 177.149 176.870 -0.110 0.000 1.089 272 L CA 0.029 54.795 54.840 -0.124 0.000 0.833 272 L CB 0.707 42.652 42.059 -0.190 0.000 1.170 272 L HN 0.609 nan 8.230 nan 0.000 0.442 273 R N 2.570 122.954 120.500 -0.192 0.000 2.562 273 R HA 0.516 4.876 4.340 0.033 0.000 0.298 273 R C -0.908 175.162 176.300 -0.383 0.000 0.961 273 R CA -0.778 55.097 56.100 -0.375 0.000 0.881 273 R CB 2.044 32.053 30.300 -0.485 0.000 1.159 273 R HN 0.326 nan 8.270 nan 0.000 0.450 274 V N 3.732 123.367 119.914 -0.465 0.000 2.763 274 V HA -0.041 4.099 4.120 0.033 0.000 0.306 274 V C 0.351 176.209 176.094 -0.394 0.000 1.059 274 V CA -0.205 61.827 62.300 -0.447 0.000 1.138 274 V CB 0.633 31.982 31.823 -0.790 0.000 0.940 274 V HN 0.836 nan 8.190 nan 0.000 0.489 275 C N 4.595 123.724 119.300 -0.285 0.000 2.648 275 C HA 0.464 4.944 4.460 0.033 0.000 0.419 275 C C 1.655 176.508 174.990 -0.230 0.000 1.352 275 C CA 0.429 59.297 59.018 -0.249 0.000 1.816 275 C CB -0.810 26.791 27.740 -0.231 0.000 2.598 275 C HN 1.358 nan 8.230 nan 0.000 0.598 276 G N 3.298 111.972 108.800 -0.210 0.000 2.168 276 G HA2 -0.235 3.745 3.960 0.033 0.000 0.263 276 G HA3 -0.235 3.745 3.960 0.033 0.000 0.263 276 G C 0.041 174.801 174.900 -0.234 0.000 0.977 276 G CA 0.424 45.414 45.100 -0.184 0.000 0.659 276 G HN 0.806 nan 8.290 nan 0.000 0.533 277 R N -0.733 119.575 120.500 -0.321 0.000 2.837 277 R HA 0.476 4.836 4.340 0.033 0.000 0.271 277 R C -1.268 174.803 176.300 -0.382 0.000 0.993 277 R CA -0.808 55.073 56.100 -0.364 0.000 0.931 277 R CB 1.072 31.066 30.300 -0.510 0.000 1.206 277 R HN 0.056 nan 8.270 nan 0.000 0.474 278 D N 1.475 121.692 120.400 -0.304 0.000 2.943 278 D HA 0.095 4.755 4.640 0.033 0.000 0.249 278 D C -1.049 175.116 176.300 -0.225 0.000 1.231 278 D CA -0.017 53.834 54.000 -0.248 0.000 0.979 278 D CB 0.216 40.956 40.800 -0.101 0.000 1.053 278 D HN 0.246 nan 8.370 nan 0.000 0.504 279 E N 1.106 121.011 120.200 -0.492 0.000 2.246 279 E HA 0.326 4.696 4.350 0.033 0.000 0.266 279 E C -1.676 174.585 176.600 -0.565 0.000 0.880 279 E CA -0.667 55.500 56.400 -0.390 0.000 0.762 279 E CB 0.672 30.133 29.700 -0.398 0.000 1.180 279 E HN 0.127 nan 8.360 nan 0.000 0.416 280 Y N 2.919 123.076 120.300 -0.238 0.000 2.429 280 Y HA 0.487 5.057 4.550 0.033 0.000 0.342 280 Y C -0.418 175.411 175.900 -0.119 0.000 1.004 280 Y CA -1.119 56.869 58.100 -0.187 0.000 1.075 280 Y CB 1.275 39.627 38.460 -0.179 0.000 1.214 280 Y HN 0.367 nan 8.280 nan 0.000 0.455 281 L N 4.646 125.829 121.223 -0.065 0.000 2.494 281 L HA 0.447 4.807 4.340 0.033 0.000 0.251 281 L C -0.137 176.622 176.870 -0.185 0.000 1.119 281 L CA -0.307 54.293 54.840 -0.401 0.000 1.026 281 L CB -0.176 41.501 42.059 -0.636 0.000 1.370 281 L HN 0.549 nan 8.230 nan 0.000 0.426 282 V N -1.122 118.892 119.914 0.167 0.000 3.084 282 V HA 1.085 5.225 4.120 0.033 0.000 0.311 282 V C 0.288 176.582 176.094 0.335 0.000 1.311 282 V CA -0.478 61.940 62.300 0.197 0.000 1.062 282 V CB 1.159 33.046 31.823 0.106 0.000 1.113 282 V HN 0.752 nan 8.190 nan 0.000 0.468 283 G N 0.323 109.238 108.800 0.192 0.000 2.755 283 G HA2 -0.064 3.916 3.960 0.033 0.000 0.686 283 G HA3 -0.064 3.916 3.960 0.033 0.000 0.686 283 G C -0.567 174.426 174.900 0.155 0.000 1.427 283 G CA -0.092 45.097 45.100 0.149 0.000 0.873 283 G HN 1.154 nan 8.290 nan 0.000 0.580 284 E N 1.340 121.596 120.200 0.093 0.000 1.800 284 E HA 0.355 4.725 4.350 0.033 0.000 0.262 284 E C 0.414 177.049 176.600 0.058 0.000 1.219 284 E CA 0.755 57.203 56.400 0.080 0.000 1.051 284 E CB -0.143 29.590 29.700 0.054 0.000 1.074 284 E HN 0.587 nan 8.360 nan 0.000 0.433 285 T N 2.598 117.213 114.554 0.101 0.000 3.041 285 T HA 0.315 4.685 4.350 0.033 0.000 0.321 285 T C -2.676 172.121 174.700 0.161 0.000 1.184 285 T CA -1.451 60.659 62.100 0.016 0.000 1.050 285 T CB 2.177 70.853 68.868 -0.321 0.000 1.159 285 T HN -0.009 nan 8.240 nan 0.000 0.469 286 P HA 0.099 nan 4.420 nan 0.000 0.266 286 P C 1.021 178.492 177.300 0.285 0.000 1.195 286 P CA -0.345 62.837 63.100 0.138 0.000 0.768 286 P CB 0.259 32.000 31.700 0.069 0.000 0.838 287 I N 3.030 123.766 120.570 0.278 0.000 2.454 287 I HA -0.212 3.978 4.170 0.033 0.000 0.254 287 I C 1.729 178.006 176.117 0.266 0.000 1.156 287 I CA 1.409 62.911 61.300 0.337 0.000 1.433 287 I CB -1.385 36.644 38.000 0.048 0.000 1.082 287 I HN 0.304 nan 8.210 nan 0.000 0.432 288 K N 0.464 120.921 120.400 0.095 0.000 2.439 288 K HA -0.039 4.301 4.320 0.033 0.000 0.197 288 K C 0.955 177.538 176.600 -0.029 0.000 1.041 288 K CA 1.189 57.456 56.287 -0.034 0.000 0.970 288 K CB -0.458 31.954 32.500 -0.146 0.000 0.773 288 K HN 0.254 nan 8.250 nan 0.000 0.479 289 N N 0.094 118.806 118.700 0.019 0.000 2.336 289 N HA 0.135 4.895 4.740 0.033 0.000 0.189 289 N C -1.006 174.404 175.510 -0.166 0.000 1.113 289 N CA 0.029 53.023 53.050 -0.092 0.000 0.858 289 N CB 0.112 38.516 38.487 -0.139 0.000 0.970 289 N HN 0.076 nan 8.380 nan 0.000 0.471 290 F N 0.900 120.814 119.950 -0.059 0.000 2.396 290 F HA 0.219 4.766 4.527 0.034 0.000 0.343 290 F C 1.779 177.495 175.800 -0.141 0.000 1.104 290 F CA -0.551 57.417 58.000 -0.053 0.000 1.161 290 F CB 1.229 40.235 39.000 0.010 0.000 1.146 290 F HN -0.147 nan 8.300 nan 0.000 0.522 291 Q N 3.034 122.746 119.800 -0.146 0.000 2.084 291 Q HA -0.249 4.111 4.340 0.033 0.000 0.202 291 Q C 2.215 178.104 176.000 -0.184 0.000 0.978 291 Q CA 1.459 57.004 55.803 -0.431 0.000 0.844 291 Q CB -0.501 27.408 28.738 -1.382 0.000 0.898 291 Q HN 0.885 nan 8.270 nan 0.000 0.426 292 W N 0.823 122.020 121.300 -0.172 0.000 2.374 292 W HA -0.157 4.523 4.660 0.033 0.000 0.288 292 W C 1.562 178.090 176.519 0.015 0.000 1.218 292 W CA 1.153 58.474 57.345 -0.040 0.000 1.245 292 W CB 0.210 29.669 29.460 -0.002 0.000 1.126 292 W HN -0.059 nan 8.180 nan 0.000 0.545 293 V N 1.307 121.232 119.914 0.018 0.000 2.427 293 V HA -0.246 3.894 4.120 0.033 0.000 0.248 293 V C 2.451 178.436 176.094 -0.182 0.000 1.051 293 V CA 1.853 64.096 62.300 -0.095 0.000 1.048 293 V CB -0.743 31.082 31.823 0.004 0.000 0.666 293 V HN 0.108 nan 8.190 nan 0.000 0.456 294 R N -0.748 119.661 120.500 -0.152 0.000 2.148 294 R HA -0.128 4.232 4.340 0.033 0.000 0.223 294 R C 2.297 178.480 176.300 -0.195 0.000 1.088 294 R CA 1.362 57.359 56.100 -0.172 0.000 0.985 294 R CB -0.396 29.815 30.300 -0.148 0.000 0.880 294 R HN 0.692 nan 8.270 nan 0.000 0.451 295 H N 0.018 118.893 119.070 -0.326 0.000 2.357 295 H HA -0.085 4.491 4.556 0.033 0.000 0.301 295 H C 1.844 176.916 175.328 -0.426 0.000 1.082 295 H CA 1.815 57.639 56.048 -0.374 0.000 1.342 295 H CB -0.237 29.235 29.762 -0.484 0.000 1.389 295 H HN 0.102 nan 8.280 nan 0.000 0.511 296 C N -0.088 118.775 119.300 -0.728 0.000 2.462 296 C HA -0.050 4.430 4.460 0.033 0.000 0.278 296 C C 2.822 177.578 174.990 -0.390 0.000 1.253 296 C CA 0.773 59.414 59.018 -0.628 0.000 1.713 296 C CB -1.231 26.220 27.740 -0.482 0.000 2.049 296 C HN 0.630 nan 8.230 nan 0.000 0.477 297 L N 1.750 122.799 121.223 -0.290 0.000 1.989 297 L HA -0.168 4.192 4.340 0.033 0.000 0.211 297 L C 2.576 179.339 176.870 -0.180 0.000 1.071 297 L CA 1.992 56.715 54.840 -0.194 0.000 0.749 297 L CB -0.741 41.211 42.059 -0.178 0.000 0.890 297 L HN 0.237 nan 8.230 nan 0.000 0.431 298 K N -0.571 119.714 120.400 -0.192 0.000 2.281 298 K HA -0.170 4.170 4.320 0.033 0.000 0.203 298 K C 0.702 177.196 176.600 -0.176 0.000 1.046 298 K CA 1.387 57.593 56.287 -0.136 0.000 0.938 298 K CB -0.168 32.274 32.500 -0.095 0.000 0.737 298 K HN 0.481 nan 8.250 nan 0.000 0.458 299 N N -0.114 118.420 118.700 -0.277 0.000 2.275 299 N HA 0.054 4.814 4.740 0.033 0.000 0.236 299 N C 0.181 175.583 175.510 -0.181 0.000 1.154 299 N CA 0.643 53.545 53.050 -0.246 0.000 0.866 299 N CB 0.955 39.218 38.487 -0.375 0.000 1.093 299 N HN 0.316 nan 8.380 nan 0.000 0.515 300 G N 1.354 110.065 108.800 -0.149 0.000 2.337 300 G HA2 -0.306 3.674 3.960 0.033 0.000 0.290 300 G HA3 -0.306 3.674 3.960 0.033 0.000 0.290 300 G C 0.018 174.865 174.900 -0.088 0.000 1.003 300 G CA 0.645 45.687 45.100 -0.097 0.000 0.825 300 G HN 0.434 nan 8.290 nan 0.000 0.509 301 E N -0.150 119.969 120.200 -0.136 0.000 2.250 301 E HA 0.456 4.826 4.350 0.033 0.000 0.265 301 E C 0.269 176.841 176.600 -0.045 0.000 1.033 301 E CA -0.665 55.684 56.400 -0.085 0.000 0.888 301 E CB 0.982 30.601 29.700 -0.134 0.000 1.151 301 E HN 0.567 nan 8.360 nan 0.000 0.412 302 E N 1.002 121.236 120.200 0.058 0.000 2.283 302 E HA 0.278 4.648 4.350 0.033 0.000 0.271 302 E C -0.380 176.272 176.600 0.087 0.000 1.031 302 E CA -0.401 56.032 56.400 0.055 0.000 0.868 302 E CB 1.173 30.933 29.700 0.100 0.000 1.094 302 E HN 0.314 nan 8.360 nan 0.000 0.401 303 I N 3.321 123.873 120.570 -0.029 0.000 2.269 303 I HA 0.104 4.294 4.170 0.033 0.000 0.293 303 I C -0.526 175.555 176.117 -0.060 0.000 1.106 303 I CA -0.223 61.095 61.300 0.031 0.000 1.248 303 I CB -0.243 37.759 38.000 0.003 0.000 1.444 303 I HN 0.334 nan 8.210 nan 0.000 0.497 304 H N 4.478 123.601 119.070 0.088 0.000 2.488 304 H HA 0.590 5.166 4.556 0.033 0.000 0.322 304 H C -0.384 174.842 175.328 -0.169 0.000 1.078 304 H CA -0.445 55.573 56.048 -0.051 0.000 1.260 304 H CB 1.407 31.111 29.762 -0.097 0.000 1.425 304 H HN 0.235 nan 8.280 nan 0.000 0.471 305 V N 2.980 122.787 119.914 -0.178 0.000 3.074 305 V HA 0.464 4.604 4.120 0.033 0.000 0.314 305 V C -0.646 175.271 176.094 -0.294 0.000 1.117 305 V CA -1.025 61.140 62.300 -0.225 0.000 1.014 305 V CB 2.487 34.197 31.823 -0.188 0.000 1.057 305 V HN 0.500 nan 8.190 nan 0.000 0.438 306 V N 3.133 122.890 119.914 -0.262 0.000 2.588 306 V HA 0.639 4.779 4.120 0.033 0.000 0.304 306 V C -0.991 174.974 176.094 -0.215 0.000 1.042 306 V CA -0.746 61.427 62.300 -0.212 0.000 0.877 306 V CB 1.671 33.379 31.823 -0.192 0.000 0.996 306 V HN 0.797 nan 8.190 nan 0.000 0.425 307 L N 7.984 129.064 121.223 -0.239 0.000 2.315 307 L HA 0.615 4.975 4.340 0.033 0.000 0.283 307 L C -0.313 176.340 176.870 -0.361 0.000 1.089 307 L CA 0.716 55.373 54.840 -0.305 0.000 0.833 307 L CB 0.308 42.141 42.059 -0.377 0.000 1.170 307 L HN 0.937 nan 8.230 nan 0.000 0.442 308 D N 1.598 121.852 120.400 -0.243 0.000 2.752 308 D HA 0.278 4.938 4.640 0.033 0.000 0.313 308 D C -0.878 175.475 176.300 0.088 0.000 1.225 308 D CA -0.627 53.265 54.000 -0.180 0.000 0.976 308 D CB 0.896 41.649 40.800 -0.079 0.000 1.443 308 D HN 0.266 nan 8.370 nan 0.000 0.515 309 T N 1.304 115.955 114.554 0.162 0.000 2.832 309 T HA 0.455 4.825 4.350 0.033 0.000 0.296 309 T C -2.278 172.506 174.700 0.141 0.000 0.968 309 T CA -0.563 61.679 62.100 0.238 0.000 1.107 309 T CB 0.795 69.782 68.868 0.198 0.000 0.916 309 T HN 0.170 nan 8.240 nan 0.000 0.517 310 P HA 0.127 nan 4.420 nan 0.000 0.266 310 P C -2.198 175.074 177.300 -0.047 0.000 1.195 310 P CA -0.980 62.102 63.100 -0.031 0.000 0.768 310 P CB -0.200 31.480 31.700 -0.033 0.000 0.838 311 P HA 0.023 nan 4.420 nan 0.000 0.268 311 P C -0.527 176.743 177.300 -0.050 0.000 1.205 311 P CA 0.112 63.172 63.100 -0.067 0.000 0.771 311 P CB 0.486 32.125 31.700 -0.101 0.000 0.858 312 D N 4.163 124.552 120.400 -0.019 0.000 2.342 312 D HA 0.048 4.708 4.640 0.033 0.000 0.260 312 D C -1.067 175.230 176.300 -0.005 0.000 1.278 312 D CA -2.013 51.980 54.000 -0.010 0.000 0.910 312 D CB 0.359 41.157 40.800 -0.003 0.000 1.079 312 D HN 0.192 nan 8.370 nan 0.000 0.496 313 P HA -0.157 nan 4.420 nan 0.000 0.229 313 P C 0.821 178.137 177.300 0.026 0.000 1.150 313 P CA 0.506 63.621 63.100 0.026 0.000 0.765 313 P CB 0.180 31.899 31.700 0.031 0.000 0.783 314 A N 0.133 122.959 122.820 0.010 0.000 2.067 314 A HA -0.070 4.271 4.320 0.033 0.000 0.219 314 A C 2.224 179.811 177.584 0.005 0.000 1.158 314 A CA 0.805 52.845 52.037 0.005 0.000 0.661 314 A CB -1.333 17.666 19.000 -0.002 0.000 0.801 314 A HN 0.180 nan 8.150 nan 0.000 0.452 315 L N -0.481 120.745 121.223 0.005 0.000 2.376 315 L HA -0.080 4.280 4.340 0.033 0.000 0.219 315 L C 0.729 177.610 176.870 0.018 0.000 1.133 315 L CA 0.684 55.524 54.840 0.000 0.000 0.816 315 L CB -0.272 41.781 42.059 -0.009 0.000 0.933 315 L HN 0.261 nan 8.230 nan 0.000 0.449 316 D N -0.207 120.220 120.400 0.046 0.000 2.342 316 D HA 0.019 4.679 4.640 0.033 0.000 0.221 316 D C 0.490 176.829 176.300 0.064 0.000 1.101 316 D CA 0.067 54.122 54.000 0.091 0.000 0.837 316 D CB 0.142 41.065 40.800 0.205 0.000 0.938 316 D HN 0.315 nan 8.370 nan 0.000 0.508 317 E N 0.714 120.931 120.200 0.028 0.000 2.568 317 E HA -0.003 4.367 4.350 0.033 0.000 0.262 317 E C -0.472 176.128 176.600 -0.001 0.000 0.961 317 E CA 0.247 56.649 56.400 0.004 0.000 0.945 317 E CB 0.827 30.523 29.700 -0.008 0.000 0.924 317 E HN -0.168 nan 8.360 nan 0.000 0.467 318 V N 5.275 125.177 119.914 -0.019 0.000 2.427 318 V HA 0.209 4.349 4.120 0.033 0.000 0.286 318 V C 0.463 176.524 176.094 -0.055 0.000 1.034 318 V CA -0.508 61.775 62.300 -0.028 0.000 0.893 318 V CB 1.433 33.232 31.823 -0.040 0.000 0.982 318 V HN 0.654 nan 8.190 nan 0.000 0.452 319 R N 3.996 124.447 120.500 -0.083 0.000 2.522 319 R HA 0.112 4.472 4.340 0.033 0.000 0.284 319 R C 0.113 176.323 176.300 -0.150 0.000 1.032 319 R CA -0.266 55.734 56.100 -0.167 0.000 1.049 319 R CB 0.307 30.389 30.300 -0.363 0.000 0.956 319 R HN 0.628 nan 8.270 nan 0.000 0.422 320 K N 3.117 123.437 120.400 -0.132 0.000 2.524 320 K HA -0.130 4.211 4.320 0.033 0.000 0.279 320 K C 0.289 176.823 176.600 -0.109 0.000 0.993 320 K CA 0.667 56.894 56.287 -0.099 0.000 1.030 320 K CB 0.525 32.976 32.500 -0.082 0.000 0.891 320 K HN 0.591 nan 8.250 nan 0.000 0.488 358 D N 1.977 122.368 120.400 -0.015 0.000 2.402 358 D HA 0.182 4.842 4.640 0.033 0.000 0.216 358 D C 0.657 176.959 176.300 0.003 0.000 1.128 358 D CA 0.077 54.076 54.000 -0.002 0.000 0.833 358 D CB 0.299 41.094 40.800 -0.009 0.000 0.971 358 D HN 0.514 nan 8.370 nan 0.000 0.503 359 R N 1.066 121.567 120.500 0.002 0.000 2.637 359 R HA 0.207 4.567 4.340 0.033 0.000 0.269 359 R C 0.033 176.354 176.300 0.035 0.000 1.089 359 R CA -0.056 56.043 56.100 -0.001 0.000 1.177 359 R CB 0.462 30.747 30.300 -0.026 0.000 1.091 359 R HN -0.235 nan 8.270 nan 0.000 0.540 360 K N 1.815 122.234 120.400 0.030 0.000 2.218 360 K HA 0.119 4.459 4.320 0.033 0.000 0.276 360 K C -0.459 176.215 176.600 0.123 0.000 1.022 360 K CA -0.327 56.014 56.287 0.089 0.000 0.946 360 K CB 0.526 33.066 32.500 0.068 0.000 1.000 360 K HN 0.427 nan 8.250 nan 0.000 0.468 361 F N 3.911 123.909 119.950 0.080 0.000 2.484 361 F HA 0.142 4.689 4.527 0.034 0.000 0.360 361 F C 0.184 176.112 175.800 0.213 0.000 1.101 361 F CA 0.037 58.094 58.000 0.095 0.000 1.251 361 F CB 0.539 39.557 39.000 0.031 0.000 1.132 361 F HN 0.503 nan 8.300 nan 0.000 0.570 362 R N 4.512 124.545 120.500 -0.778 0.000 2.740 362 R HA 0.824 5.184 4.340 0.033 0.000 0.273 362 R C -2.369 173.689 176.300 -0.403 0.000 0.998 362 R CA -1.216 54.687 56.100 -0.328 0.000 0.900 362 R CB 1.830 32.034 30.300 -0.159 0.000 1.223 362 R HN 0.586 nan 8.270 nan 0.000 0.466 363 V N 1.450 121.452 119.914 0.147 0.000 2.668 363 V HA 0.409 4.549 4.120 0.033 0.000 0.304 363 V C -1.175 175.029 176.094 0.183 0.000 1.071 363 V CA -0.821 61.598 62.300 0.197 0.000 0.894 363 V CB 2.008 33.965 31.823 0.225 0.000 1.008 363 V HN 0.842 nan 8.190 nan 0.000 0.425 364 K N 7.085 127.381 120.400 -0.173 0.000 2.248 364 K HA 0.477 4.817 4.320 0.033 0.000 0.281 364 K C -0.712 175.725 176.600 -0.272 0.000 1.054 364 K CA -0.700 55.248 56.287 -0.565 0.000 0.903 364 K CB 0.848 32.455 32.500 -1.488 0.000 1.077 364 K HN 0.626 nan 8.250 nan 0.000 0.474 365 I N 6.502 126.970 120.570 -0.169 0.000 2.301 365 I HA 0.120 4.310 4.170 0.033 0.000 0.292 365 I C 1.370 177.472 176.117 -0.026 0.000 1.046 365 I CA 0.033 61.285 61.300 -0.079 0.000 1.282 365 I CB 0.820 38.753 38.000 -0.111 0.000 1.409 365 I HN 0.736 nan 8.210 nan 0.000 0.484 366 R N 4.058 124.544 120.500 -0.022 0.000 2.075 366 R HA 0.252 4.612 4.340 0.033 0.000 0.226 366 R C 0.919 177.285 176.300 0.110 0.000 1.114 366 R CA 0.612 56.715 56.100 0.005 0.000 0.972 366 R CB 0.186 30.465 30.300 -0.035 0.000 0.869 366 R HN 0.801 nan 8.270 nan 0.000 0.437 367 G N 0.703 109.591 108.800 0.147 0.000 2.320 367 G HA2 0.309 4.289 3.960 0.033 0.000 0.297 367 G HA3 0.309 4.289 3.960 0.033 0.000 0.297 367 G C -1.561 173.429 174.900 0.150 0.000 1.344 367 G CA -0.850 44.385 45.100 0.225 0.000 0.851 367 G HN 0.174 nan 8.290 nan 0.000 0.567 368 I N -1.897 118.768 120.570 0.159 0.000 2.603 368 I HA 0.923 5.113 4.170 0.033 0.000 0.300 368 I C -1.294 174.833 176.117 0.017 0.000 1.017 368 I CA -0.973 60.367 61.300 0.066 0.000 1.098 368 I CB 2.537 40.595 38.000 0.097 0.000 1.279 368 I HN 0.550 nan 8.210 nan 0.000 0.437 369 D N 4.455 124.832 120.400 -0.039 0.000 2.859 369 D HA 0.622 5.283 4.640 0.033 0.000 0.223 369 D C -1.728 174.537 176.300 -0.058 0.000 1.218 369 D CA -0.413 53.566 54.000 -0.035 0.000 0.850 369 D CB 2.373 43.151 40.800 -0.035 0.000 1.656 369 D HN 0.641 nan 8.370 nan 0.000 0.484 370 I N 4.263 124.812 120.570 -0.035 0.000 2.752 370 I HA 0.307 4.497 4.170 0.033 0.000 0.295 370 I C -2.087 174.011 176.117 -0.031 0.000 1.219 370 I CA -2.587 58.688 61.300 -0.042 0.000 1.030 370 I CB 2.342 40.317 38.000 -0.041 0.000 1.259 370 I HN 0.372 nan 8.210 nan 0.000 0.423 371 P HA -0.047 nan 4.420 nan 0.000 0.213 371 P C -0.578 176.702 177.300 -0.033 0.000 1.170 371 P CA 1.228 64.314 63.100 -0.024 0.000 0.898 371 P CB 0.252 31.942 31.700 -0.018 0.000 0.787 372 V N -0.868 119.027 119.914 -0.033 0.000 2.777 372 V HA 0.283 4.423 4.120 0.033 0.000 0.306 372 V C -0.604 175.461 176.094 -0.049 0.000 1.112 372 V CA -0.399 61.872 62.300 -0.047 0.000 0.917 372 V CB 2.419 34.222 31.823 -0.033 0.000 1.018 372 V HN -0.131 nan 8.190 nan 0.000 0.426 373 L N 4.812 125.969 121.223 -0.110 0.000 2.502 373 L HA 0.429 4.789 4.340 0.033 0.000 0.249 373 L C -2.091 174.661 176.870 -0.196 0.000 1.446 373 L CA -0.923 53.833 54.840 -0.139 0.000 0.887 373 L CB 1.383 43.277 42.059 -0.275 0.000 1.126 373 L HN 0.577 nan 8.230 nan 0.000 0.509 378 D N 1.817 122.238 120.400 0.034 0.000 2.346 378 D HA 0.605 5.265 4.640 0.033 0.000 0.249 378 D C 0.543 176.899 176.300 0.094 0.000 1.308 378 D CA -0.320 53.706 54.000 0.043 0.000 0.987 378 D CB 0.440 41.255 40.800 0.025 0.000 1.114 378 D HN 0.569 nan 8.370 nan 0.000 0.529 379 L N -3.180 118.129 121.223 0.142 0.000 2.741 379 L HA 0.503 4.863 4.340 0.033 0.000 0.285 379 L C -0.709 176.300 176.870 0.231 0.000 0.846 379 L CA -0.762 54.187 54.840 0.183 0.000 1.101 379 L CB 0.802 42.988 42.059 0.212 0.000 1.649 379 L HN 0.472 nan 8.230 nan 0.000 0.341 380 T N 0.127 114.822 114.554 0.237 0.000 2.841 380 T HA 0.793 5.163 4.350 0.033 0.000 0.296 380 T C -1.352 173.452 174.700 0.173 0.000 1.166 380 T CA 0.187 62.427 62.100 0.233 0.000 1.007 380 T CB 1.902 70.888 68.868 0.196 0.000 1.253 380 T HN 1.397 nan 8.240 nan 0.000 0.511 381 V N 0.907 120.924 119.914 0.171 0.000 3.159 381 V HA 1.033 5.173 4.120 0.033 0.000 0.308 381 V C -1.374 174.945 176.094 0.376 0.000 1.190 381 V CA -1.225 61.120 62.300 0.075 0.000 1.037 381 V CB 1.456 33.137 31.823 -0.236 0.000 1.060 381 V HN 1.116 nan 8.190 nan 0.000 0.437 382 F N -0.176 119.880 119.950 0.177 0.000 2.686 382 F HA 0.930 5.477 4.527 0.033 0.000 0.311 382 F C -1.455 174.308 175.800 -0.061 0.000 1.128 382 F CA -1.247 56.817 58.000 0.107 0.000 0.946 382 F CB 1.509 40.557 39.000 0.080 0.000 1.336 382 F HN 0.452 nan 8.300 nan 0.000 0.457 383 V N 1.205 121.055 119.914 -0.105 0.000 2.483 383 V HA 0.414 4.554 4.120 0.033 0.000 0.295 383 V C -0.775 175.381 176.094 0.104 0.000 1.035 383 V CA -0.554 61.656 62.300 -0.151 0.000 0.896 383 V CB 1.536 33.105 31.823 -0.424 0.000 0.986 383 V HN 0.850 nan 8.190 nan 0.000 0.447 384 E N 3.440 123.745 120.200 0.174 0.000 2.145 384 E HA 0.660 5.030 4.350 0.033 0.000 0.262 384 E C -0.618 176.093 176.600 0.186 0.000 0.883 384 E CA -0.616 55.942 56.400 0.263 0.000 0.748 384 E CB 1.387 31.374 29.700 0.478 0.000 1.140 384 E HN 0.827 nan 8.360 nan 0.000 0.417 385 A N 5.274 128.212 122.820 0.196 0.000 2.260 385 A HA 0.445 4.785 4.320 0.033 0.000 0.314 385 A C -0.654 177.141 177.584 0.352 0.000 1.257 385 A CA -0.761 51.435 52.037 0.266 0.000 0.871 385 A CB 0.528 19.749 19.000 0.369 0.000 1.166 385 A HN 0.684 nan 8.150 nan 0.000 0.522 386 N N 1.897 120.726 118.700 0.215 0.000 2.319 386 N HA 0.450 5.210 4.740 0.033 0.000 0.305 386 N C -1.106 174.408 175.510 0.005 0.000 1.103 386 N CA -0.504 52.644 53.050 0.164 0.000 0.815 386 N CB 1.857 40.416 38.487 0.120 0.000 1.288 386 N HN 0.414 nan 8.380 nan 0.000 0.493 387 I N 2.180 122.712 120.570 -0.063 0.000 2.330 387 I HA 0.245 4.435 4.170 0.033 0.000 0.286 387 I C 0.223 176.290 176.117 -0.084 0.000 1.025 387 I CA -0.263 60.916 61.300 -0.201 0.000 1.197 387 I CB 0.587 38.377 38.000 -0.351 0.000 1.358 387 I HN 0.279 nan 8.210 nan 0.000 0.467 388 Q N 5.141 124.900 119.800 -0.068 0.000 2.351 388 Q HA 0.563 4.923 4.340 0.033 0.000 0.273 388 Q C -0.698 175.307 176.000 0.009 0.000 1.077 388 Q CA -0.787 55.002 55.803 -0.024 0.000 0.843 388 Q CB 3.100 31.817 28.738 -0.034 0.000 1.367 388 Q HN 0.483 nan 8.270 nan 0.000 0.449 389 H N -0.715 118.285 119.070 -0.117 0.000 3.179 389 H HA 0.221 4.796 4.556 0.033 0.000 0.331 389 H C -0.076 175.126 175.328 -0.211 0.000 1.013 389 H CA 0.559 56.505 56.048 -0.171 0.000 1.430 389 H CB 1.542 31.217 29.762 -0.146 0.000 1.895 389 H HN 0.947 nan 8.280 nan 0.000 0.468 390 G N 4.419 112.932 108.800 -0.479 0.000 2.305 390 G HA2 -0.321 3.659 3.960 0.033 0.000 0.287 390 G HA3 -0.321 3.659 3.960 0.033 0.000 0.287 390 G C 0.283 175.027 174.900 -0.260 0.000 1.036 390 G CA 1.010 45.864 45.100 -0.410 0.000 0.887 390 G HN 0.862 nan 8.290 nan 0.000 0.505 391 Q N -1.795 117.899 119.800 -0.176 0.000 2.459 391 Q HA -0.216 4.144 4.340 0.033 0.000 0.322 391 Q C 0.099 176.053 176.000 -0.077 0.000 1.427 391 Q CA 1.632 57.369 55.803 -0.110 0.000 0.861 391 Q CB -0.729 27.934 28.738 -0.125 0.000 1.137 391 Q HN 0.996 nan 8.270 nan 0.000 0.394 392 Q N 0.244 120.021 119.800 -0.039 0.000 2.406 392 Q HA 0.374 4.734 4.340 0.033 0.000 0.244 392 Q C -0.521 175.493 176.000 0.023 0.000 0.884 392 Q CA -0.447 55.356 55.803 -0.002 0.000 0.813 392 Q CB 1.584 30.335 28.738 0.020 0.000 1.368 392 Q HN 0.252 nan 8.270 nan 0.000 0.439 393 V N 3.474 123.404 119.914 0.028 0.000 2.434 393 V HA 0.060 4.200 4.120 0.033 0.000 0.281 393 V C 0.986 177.105 176.094 0.041 0.000 1.005 393 V CA 0.292 62.617 62.300 0.040 0.000 1.089 393 V CB -0.138 31.720 31.823 0.058 0.000 0.978 393 V HN 0.883 nan 8.190 nan 0.000 0.474 394 L N 2.862 124.104 121.223 0.032 0.000 2.249 394 L HA 0.270 4.630 4.340 0.033 0.000 0.207 394 L C 0.885 177.788 176.870 0.055 0.000 1.090 394 L CA 0.707 55.562 54.840 0.025 0.000 0.802 394 L CB 0.179 42.233 42.059 -0.009 0.000 0.947 394 L HN 0.748 nan 8.230 nan 0.000 0.453 395 C N -0.713 118.644 119.300 0.095 0.000 3.181 395 C HA 0.396 4.876 4.460 0.033 0.000 0.362 395 C C -0.894 174.300 174.990 0.339 0.000 1.125 395 C CA -0.814 58.342 59.018 0.230 0.000 1.265 395 C CB 2.085 30.046 27.740 0.369 0.000 1.632 395 C HN 0.338 nan 8.230 nan 0.000 0.525 396 Q N 3.158 123.144 119.800 0.311 0.000 2.331 396 Q HA 0.711 5.071 4.340 0.033 0.000 0.272 396 Q C -1.302 174.755 176.000 0.096 0.000 1.062 396 Q CA -0.587 55.380 55.803 0.272 0.000 0.806 396 Q CB 1.444 30.270 28.738 0.146 0.000 1.312 396 Q HN 0.703 nan 8.270 nan 0.000 0.431 397 R N 2.350 122.872 120.500 0.037 0.000 2.725 397 R HA 0.614 4.974 4.340 0.033 0.000 0.277 397 R C -0.927 175.337 176.300 -0.061 0.000 0.987 397 R CA -0.600 55.383 56.100 -0.195 0.000 0.901 397 R CB 2.179 32.094 30.300 -0.641 0.000 1.207 397 R HN 0.751 nan 8.270 nan 0.000 0.463 398 R N -0.345 120.097 120.500 -0.096 0.000 2.912 398 R HA 0.555 4.915 4.340 0.033 0.000 0.262 398 R C -0.173 176.046 176.300 -0.136 0.000 1.057 398 R CA -0.833 55.228 56.100 -0.066 0.000 0.981 398 R CB 2.071 32.311 30.300 -0.100 0.000 1.201 398 R HN 0.757 nan 8.270 nan 0.000 0.484 399 T N -2.059 112.393 114.554 -0.170 0.000 2.948 399 T HA 0.369 4.739 4.350 0.033 0.000 0.285 399 T C 0.313 174.964 174.700 -0.082 0.000 1.019 399 T CA -0.884 61.054 62.100 -0.271 0.000 1.013 399 T CB 1.466 69.802 68.868 -0.888 0.000 1.117 399 T HN 0.589 nan 8.240 nan 0.000 0.533 400 S N 0.806 116.570 115.700 0.107 0.000 2.576 400 S HA 0.353 4.843 4.470 0.033 0.000 0.276 400 S C -2.696 172.109 174.600 0.343 0.000 1.339 400 S CA -1.039 57.272 58.200 0.184 0.000 1.039 400 S CB -0.471 62.862 63.200 0.223 0.000 0.902 400 S HN 0.598 nan 8.310 nan 0.000 0.516 401 P HA 0.229 nan 4.420 nan 0.000 0.264 401 P C -0.386 177.099 177.300 0.308 0.000 1.193 401 P CA 0.136 63.413 63.100 0.294 0.000 0.763 401 P CB 0.352 32.146 31.700 0.156 0.000 0.810 402 K N 4.087 124.703 120.400 0.360 0.000 2.480 402 K HA 0.471 4.811 4.320 0.033 0.000 0.258 402 K C -2.721 173.949 176.600 0.117 0.000 0.990 402 K CA -2.492 53.888 56.287 0.154 0.000 0.857 402 K CB 1.559 34.004 32.500 -0.092 0.000 1.384 402 K HN 0.123 nan 8.250 nan 0.000 0.446 403 P HA -0.095 nan 4.420 nan 0.000 0.261 403 P C -0.910 176.488 177.300 0.164 0.000 1.183 403 P CA 0.230 63.376 63.100 0.078 0.000 0.761 403 P CB 0.110 31.815 31.700 0.009 0.000 0.785 404 F N 5.825 125.794 119.950 0.031 0.000 2.462 404 F HA 0.253 4.800 4.527 0.034 0.000 0.354 404 F C 0.242 176.048 175.800 0.010 0.000 1.192 404 F CA -0.581 57.443 58.000 0.039 0.000 1.173 404 F CB -0.863 38.182 39.000 0.075 0.000 1.402 404 F HN 0.161 nan 8.300 nan 0.000 0.595 405 T N 0.817 115.469 114.554 0.163 0.000 2.926 405 T HA 0.334 4.704 4.350 0.033 0.000 0.289 405 T C 0.934 175.616 174.700 -0.031 0.000 1.054 405 T CA -0.770 61.311 62.100 -0.031 0.000 1.015 405 T CB 1.420 70.274 68.868 -0.025 0.000 1.167 405 T HN 0.473 nan 8.240 nan 0.000 0.526 406 E N 0.166 120.314 120.200 -0.087 0.000 2.339 406 E HA -0.146 4.224 4.350 0.033 0.000 0.201 406 E C 0.494 177.085 176.600 -0.015 0.000 1.015 406 E CA 1.065 57.427 56.400 -0.063 0.000 0.841 406 E CB 0.127 29.788 29.700 -0.065 0.000 0.754 406 E HN 0.658 nan 8.360 nan 0.000 0.508 407 E N 0.114 120.309 120.200 -0.009 0.000 2.307 407 E HA 0.262 4.632 4.350 0.033 0.000 0.280 407 E C -1.838 174.737 176.600 -0.041 0.000 0.900 407 E CA -0.365 56.026 56.400 -0.015 0.000 0.790 407 E CB 1.859 31.539 29.700 -0.033 0.000 1.261 407 E HN -0.169 nan 8.360 nan 0.000 0.405 408 V N 5.703 125.583 119.914 -0.056 0.000 2.483 408 V HA 0.465 4.605 4.120 0.033 0.000 0.297 408 V C -0.189 175.719 176.094 -0.309 0.000 1.027 408 V CA -0.654 61.507 62.300 -0.231 0.000 0.855 408 V CB 1.332 33.003 31.823 -0.253 0.000 0.995 408 V HN 0.611 nan 8.190 nan 0.000 0.424 409 L N 3.208 124.194 121.223 -0.395 0.000 2.330 409 L HA 0.579 4.939 4.340 0.033 0.000 0.271 409 L C 0.231 176.859 176.870 -0.403 0.000 1.013 409 L CA -0.346 54.349 54.840 -0.242 0.000 0.816 409 L CB 2.464 44.446 42.059 -0.128 0.000 1.287 409 L HN 0.651 nan 8.230 nan 0.000 0.435 410 W N -0.243 121.041 121.300 -0.027 0.000 4.359 410 W HA 0.062 4.742 4.660 0.034 0.000 0.200 410 W C 0.786 177.274 176.519 -0.052 0.000 1.068 410 W CA 0.098 57.427 57.345 -0.026 0.000 1.787 410 W CB 0.232 29.681 29.460 -0.019 0.000 0.717 410 W HN 0.764 nan 8.180 nan 0.000 0.930 411 N N 1.111 119.899 118.700 0.147 0.000 2.721 411 N HA -0.203 4.557 4.740 0.033 0.000 0.249 411 N C -1.016 174.467 175.510 -0.046 0.000 1.072 411 N CA 0.775 53.821 53.050 -0.006 0.000 0.710 411 N CB -1.195 37.283 38.487 -0.016 0.000 0.993 411 N HN -0.076 nan 8.380 nan 0.000 0.547 412 V N 0.713 120.625 119.914 -0.004 0.000 2.459 412 V HA 0.607 4.747 4.120 0.033 0.000 0.295 412 V C -0.121 175.923 176.094 -0.083 0.000 1.029 412 V CA -0.819 61.478 62.300 -0.005 0.000 0.874 412 V CB 0.613 32.497 31.823 0.103 0.000 0.985 412 V HN 0.314 nan 8.190 nan 0.000 0.438 413 W N 5.918 127.224 121.300 0.010 0.000 2.238 413 W HA 0.513 5.192 4.660 0.033 0.000 0.321 413 W C -0.126 176.363 176.519 -0.050 0.000 1.293 413 W CA -0.362 56.972 57.345 -0.018 0.000 1.204 413 W CB 0.802 30.247 29.460 -0.026 0.000 1.167 413 W HN 0.359 nan 8.180 nan 0.000 0.553 414 L N 3.445 124.808 121.223 0.234 0.000 2.316 414 L HA 0.306 4.666 4.340 0.033 0.000 0.280 414 L C -0.141 176.731 176.870 0.003 0.000 1.006 414 L CA -0.716 54.135 54.840 0.018 0.000 0.836 414 L CB 1.314 43.354 42.059 -0.032 0.000 1.221 414 L HN 0.428 nan 8.230 nan 0.000 0.418 415 E N 2.932 123.076 120.200 -0.093 0.000 2.175 415 E HA 0.476 4.846 4.350 0.033 0.000 0.278 415 E C -1.272 175.225 176.600 -0.171 0.000 0.969 415 E CA -0.600 55.774 56.400 -0.043 0.000 0.796 415 E CB 1.172 30.851 29.700 -0.035 0.000 1.104 415 E HN 0.245 nan 8.360 nan 0.000 0.395 416 F N 1.328 121.344 119.950 0.109 0.000 2.450 416 F HA 0.164 4.711 4.527 0.032 0.000 0.328 416 F C 1.708 177.560 175.800 0.086 0.000 1.068 416 F CA -0.385 57.692 58.000 0.128 0.000 1.007 416 F CB 1.727 40.865 39.000 0.229 0.000 1.251 416 F HN 0.572 nan 8.300 nan 0.000 0.492 417 S N 0.112 115.954 115.700 0.237 0.000 2.414 417 S HA 0.107 4.597 4.470 0.033 0.000 0.227 417 S C 0.709 175.390 174.600 0.135 0.000 1.022 417 S CA 0.199 58.478 58.200 0.132 0.000 0.958 417 S CB -0.490 62.760 63.200 0.085 0.000 0.797 417 S HN 0.402 nan 8.310 nan 0.000 0.493 418 I N 2.464 123.139 120.570 0.174 0.000 2.752 418 I HA 0.064 4.254 4.170 0.033 0.000 0.287 418 I C 0.476 176.666 176.117 0.122 0.000 1.188 418 I CA 0.033 61.397 61.300 0.107 0.000 1.427 418 I CB 0.460 38.493 38.000 0.055 0.000 1.365 418 I HN 0.103 nan 8.210 nan 0.000 0.585 419 K N 5.180 125.622 120.400 0.071 0.000 2.118 419 K HA 0.322 4.662 4.320 0.033 0.000 0.264 419 K C 0.929 177.579 176.600 0.082 0.000 1.000 419 K CA -0.544 55.789 56.287 0.077 0.000 0.929 419 K CB 1.467 33.991 32.500 0.040 0.000 1.021 419 K HN 0.485 nan 8.250 nan 0.000 0.463 420 I N 1.323 121.966 120.570 0.122 0.000 2.127 420 I HA -0.241 3.949 4.170 0.033 0.000 0.241 420 I C 1.285 177.450 176.117 0.079 0.000 1.075 420 I CA 1.397 62.781 61.300 0.140 0.000 1.334 420 I CB -0.075 38.030 38.000 0.175 0.000 1.040 420 I HN 0.442 nan 8.210 nan 0.000 0.405 421 K N 1.284 121.720 120.400 0.061 0.000 2.737 421 K HA -0.007 4.334 4.320 0.033 0.000 0.251 421 K C -0.430 176.181 176.600 0.018 0.000 1.280 421 K CA 0.258 56.572 56.287 0.045 0.000 1.219 421 K CB 0.006 32.528 32.500 0.035 0.000 1.587 421 K HN 0.212 nan 8.250 nan 0.000 0.279 422 D N -0.060 120.343 120.400 0.004 0.000 2.184 422 D HA 0.047 4.707 4.640 0.033 0.000 0.508 422 D C -0.072 176.199 176.300 -0.049 0.000 0.947 422 D CA -0.065 53.920 54.000 -0.025 0.000 1.032 422 D CB 0.373 41.160 40.800 -0.022 0.000 1.460 422 D HN 0.225 nan 8.370 nan 0.000 0.467 423 L N 3.881 125.072 121.223 -0.053 0.000 2.490 423 L HA 0.198 4.558 4.340 0.033 0.000 0.274 423 L C -1.913 174.924 176.870 -0.055 0.000 1.201 423 L CA -0.625 54.156 54.840 -0.099 0.000 0.869 423 L CB 0.306 42.284 42.059 -0.135 0.000 1.123 423 L HN -0.084 nan 8.230 nan 0.000 0.484 424 P HA 0.158 nan 4.420 nan 0.000 0.290 424 P C -1.153 176.182 177.300 0.058 0.000 1.275 424 P CA -0.876 62.200 63.100 -0.039 0.000 0.841 424 P CB 1.281 32.827 31.700 -0.256 0.000 1.042 425 K N 1.131 121.611 120.400 0.133 0.000 2.447 425 K HA 0.285 4.625 4.320 0.033 0.000 0.281 425 K C 0.951 177.684 176.600 0.220 0.000 1.031 425 K CA 0.959 57.328 56.287 0.136 0.000 1.019 425 K CB -0.646 31.902 32.500 0.080 0.000 0.918 425 K HN 0.820 nan 8.250 nan 0.000 0.476 426 G N 1.910 110.844 108.800 0.223 0.000 2.163 426 G HA2 -0.222 3.758 3.960 0.033 0.000 0.213 426 G HA3 -0.222 3.758 3.960 0.033 0.000 0.213 426 G C -0.022 174.859 174.900 -0.031 0.000 0.991 426 G CA -0.081 45.061 45.100 0.069 0.000 0.653 426 G HN 0.878 nan 8.290 nan 0.000 0.518 427 A N 0.227 123.090 122.820 0.071 0.000 2.388 427 A HA 0.748 5.088 4.320 0.033 0.000 0.257 427 A C 0.350 177.868 177.584 -0.110 0.000 1.095 427 A CA 0.128 52.181 52.037 0.026 0.000 0.791 427 A CB 0.462 19.441 19.000 -0.036 0.000 1.029 427 A HN 0.813 nan 8.150 nan 0.000 0.489 428 L N 2.027 123.174 121.223 -0.127 0.000 2.334 428 L HA 0.408 4.768 4.340 0.033 0.000 0.276 428 L C -0.541 176.244 176.870 -0.141 0.000 1.014 428 L CA -0.908 53.850 54.840 -0.137 0.000 0.815 428 L CB 1.762 43.753 42.059 -0.113 0.000 1.268 428 L HN 0.691 nan 8.230 nan 0.000 0.428 429 L N 4.463 125.605 121.223 -0.134 0.000 2.270 429 L HA 0.302 4.662 4.340 0.033 0.000 0.286 429 L C -0.028 176.820 176.870 -0.036 0.000 1.059 429 L CA 0.245 55.014 54.840 -0.118 0.000 0.839 429 L CB 0.345 42.348 42.059 -0.095 0.000 1.221 429 L HN 0.537 nan 8.230 nan 0.000 0.431 430 N N 5.623 124.319 118.700 -0.006 0.000 2.419 430 N HA 0.272 5.032 4.740 0.033 0.000 0.264 430 N C -1.466 174.091 175.510 0.078 0.000 1.031 430 N CA -0.401 52.677 53.050 0.046 0.000 0.951 430 N CB 0.846 39.358 38.487 0.042 0.000 1.101 430 N HN 0.577 nan 8.380 nan 0.000 0.488 431 L N 2.792 124.067 121.223 0.086 0.000 2.313 431 L HA 0.436 4.796 4.340 0.033 0.000 0.283 431 L C 0.004 176.916 176.870 0.071 0.000 1.013 431 L CA -0.449 54.435 54.840 0.073 0.000 0.816 431 L CB 1.826 43.910 42.059 0.041 0.000 1.236 431 L HN 0.452 nan 8.230 nan 0.000 0.419 432 Q N 3.267 123.085 119.800 0.029 0.000 2.372 432 Q HA 0.672 5.032 4.340 0.033 0.000 0.273 432 Q C -1.296 174.577 176.000 -0.212 0.000 1.078 432 Q CA -0.633 55.122 55.803 -0.081 0.000 0.806 432 Q CB 3.329 31.984 28.738 -0.139 0.000 1.332 432 Q HN 0.497 nan 8.270 nan 0.000 0.435 433 I N 2.027 122.413 120.570 -0.307 0.000 2.404 433 I HA 0.364 4.554 4.170 0.033 0.000 0.293 433 I C -1.231 174.528 176.117 -0.596 0.000 0.992 433 I CA -0.796 60.301 61.300 -0.337 0.000 1.149 433 I CB 0.925 38.849 38.000 -0.127 0.000 1.315 433 I HN 0.519 nan 8.210 nan 0.000 0.446 434 Y N 5.097 125.024 120.300 -0.622 0.000 2.335 434 Y HA 0.517 5.087 4.550 0.033 0.000 0.338 434 Y C 0.045 175.636 175.900 -0.515 0.000 0.977 434 Y CA -0.416 57.277 58.100 -0.678 0.000 1.114 434 Y CB 1.841 39.598 38.460 -1.173 0.000 1.182 434 Y HN 0.560 nan 8.280 nan 0.000 0.463 435 C N 1.216 120.447 119.300 -0.116 0.000 3.154 435 C HA 0.873 5.353 4.460 0.033 0.000 0.312 435 C C 0.584 175.613 174.990 0.064 0.000 1.349 435 C CA 0.210 59.206 59.018 -0.037 0.000 1.518 435 C CB 1.461 29.146 27.740 -0.090 0.000 1.934 435 C HN 1.047 nan 8.230 nan 0.000 0.462 436 G N 2.619 111.485 108.800 0.110 0.000 3.136 436 G HA2 0.225 4.205 3.960 0.033 0.000 0.221 436 G HA3 0.225 4.205 3.960 0.033 0.000 0.221 436 G C -0.495 174.473 174.900 0.113 0.000 0.961 436 G CA 0.413 45.578 45.100 0.107 0.000 0.983 436 G HN 0.975 nan 8.290 nan 0.000 0.648 460 L N 2.765 124.051 121.223 0.105 0.000 2.433 460 L HA 0.325 4.685 4.340 0.033 0.000 0.275 460 L C -0.523 176.178 176.870 -0.282 0.000 1.128 460 L CA 0.682 55.283 54.840 -0.398 0.000 0.875 460 L CB -0.031 41.827 42.059 -0.334 0.000 1.171 460 L HN 0.869 nan 8.230 nan 0.000 0.463 461 L N 5.072 126.088 121.223 -0.344 0.000 2.577 461 L HA 0.261 4.621 4.340 0.033 0.000 0.225 461 L C -0.610 175.855 176.870 -0.675 0.000 1.053 461 L CA -0.133 54.426 54.840 -0.468 0.000 0.866 461 L CB 0.162 41.937 42.059 -0.473 0.000 1.132 461 L HN 0.480 nan 8.230 nan 0.000 0.486 462 Y N -1.088 119.138 120.300 -0.122 0.000 2.544 462 Y HA 0.470 5.040 4.550 0.033 0.000 0.342 462 Y C -0.771 175.115 175.900 -0.023 0.000 1.062 462 Y CA -1.412 56.642 58.100 -0.077 0.000 1.023 462 Y CB 1.573 39.964 38.460 -0.116 0.000 1.308 462 Y HN -0.027 nan 8.280 nan 0.000 0.457 463 Y N -0.423 119.959 120.300 0.138 0.000 2.588 463 Y HA 0.923 5.494 4.550 0.034 0.000 0.343 463 Y C -1.989 174.018 175.900 0.179 0.000 1.065 463 Y CA -1.662 56.491 58.100 0.089 0.000 1.038 463 Y CB 1.737 40.226 38.460 0.049 0.000 1.297 463 Y HN 0.593 nan 8.280 nan 0.000 0.467 464 V N 2.347 122.438 119.914 0.296 0.000 3.098 464 V HA 0.485 4.625 4.120 0.033 0.000 0.294 464 V C -2.055 174.170 176.094 0.218 0.000 1.351 464 V CA -0.800 61.643 62.300 0.237 0.000 0.999 464 V CB 2.420 34.267 31.823 0.041 0.000 1.104 464 V HN 1.009 nan 8.190 nan 0.000 0.438 465 N N 3.858 122.684 118.700 0.209 0.000 2.272 465 N HA 0.719 5.479 4.740 0.033 0.000 0.305 465 N C -1.597 173.955 175.510 0.070 0.000 1.103 465 N CA -0.414 52.703 53.050 0.111 0.000 0.791 465 N CB 2.677 41.216 38.487 0.087 0.000 1.356 465 N HN 0.588 nan 8.380 nan 0.000 0.486 466 L N 1.424 122.644 121.223 -0.005 0.000 2.406 466 L HA 0.479 4.839 4.340 0.033 0.000 0.272 466 L C -1.125 175.686 176.870 -0.100 0.000 0.980 466 L CA -0.513 54.297 54.840 -0.051 0.000 0.831 466 L CB 1.327 43.273 42.059 -0.187 0.000 1.253 466 L HN 0.461 nan 8.230 nan 0.000 0.406 467 L N 5.903 127.075 121.223 -0.085 0.000 2.534 467 L HA 0.048 4.408 4.340 0.033 0.000 0.271 467 L C 1.274 178.084 176.870 -0.100 0.000 1.178 467 L CA 0.230 54.997 54.840 -0.121 0.000 0.907 467 L CB 0.567 42.552 42.059 -0.124 0.000 1.164 467 L HN 0.799 nan 8.230 nan 0.000 0.482 468 L N 4.868 126.020 121.223 -0.119 0.000 2.156 468 L HA 0.019 4.379 4.340 0.033 0.000 0.208 468 L C 0.582 177.420 176.870 -0.053 0.000 1.095 468 L CA 1.002 55.771 54.840 -0.119 0.000 0.770 468 L CB 0.005 41.926 42.059 -0.230 0.000 0.914 468 L HN 0.528 nan 8.230 nan 0.000 0.439 469 I N 0.229 120.793 120.570 -0.010 0.000 2.406 469 I HA 0.126 4.316 4.170 0.033 0.000 0.290 469 I C -0.452 175.700 176.117 0.058 0.000 0.999 469 I CA -0.979 60.326 61.300 0.008 0.000 1.124 469 I CB 1.713 39.718 38.000 0.009 0.000 1.289 469 I HN 0.026 nan 8.210 nan 0.000 0.441 470 D N 4.812 125.190 120.400 -0.036 0.000 2.414 470 D HA -0.032 4.628 4.640 0.033 0.000 0.259 470 D C 1.314 177.426 176.300 -0.313 0.000 1.269 470 D CA 0.072 54.043 54.000 -0.047 0.000 1.028 470 D CB 0.312 41.007 40.800 -0.175 0.000 1.093 470 D HN 0.607 nan 8.370 nan 0.000 0.545 471 H N -0.839 118.017 119.070 -0.358 0.000 2.543 471 H HA 0.041 4.616 4.556 0.033 0.000 0.286 471 H C 0.730 175.676 175.328 -0.637 0.000 1.037 471 H CA 0.666 56.323 56.048 -0.652 0.000 1.250 471 H CB -0.234 29.158 29.762 -0.617 0.000 1.373 471 H HN 0.370 nan 8.280 nan 0.000 0.580 472 R N -0.606 119.410 120.500 -0.807 0.000 2.468 472 R HA 0.127 4.487 4.340 0.033 0.000 0.280 472 R C -0.415 175.907 176.300 0.036 0.000 0.963 472 R CA -0.210 55.677 56.100 -0.354 0.000 1.083 472 R CB 0.215 30.267 30.300 -0.413 0.000 1.200 472 R HN 0.098 nan 8.270 nan 0.000 0.541 473 F N -0.474 119.318 119.950 -0.264 0.000 2.926 473 F HA -0.252 4.295 4.527 0.033 0.000 0.288 473 F C -0.197 175.525 175.800 -0.130 0.000 0.756 473 F CA 0.212 58.120 58.000 -0.153 0.000 1.292 473 F CB -1.651 37.291 39.000 -0.097 0.000 1.482 473 F HN -0.005 nan 8.300 nan 0.000 0.400 474 L N 0.575 121.760 121.223 -0.062 0.000 2.344 474 L HA 0.552 4.912 4.340 0.033 0.000 0.272 474 L C 0.243 177.069 176.870 -0.072 0.000 1.035 474 L CA -1.278 53.516 54.840 -0.076 0.000 0.807 474 L CB 1.116 43.106 42.059 -0.115 0.000 1.237 474 L HN 0.003 nan 8.230 nan 0.000 0.442 475 L N 2.606 123.775 121.223 -0.090 0.000 2.360 475 L HA 0.237 4.597 4.340 0.033 0.000 0.276 475 L C 0.434 177.302 176.870 -0.004 0.000 1.121 475 L CA 0.196 55.020 54.840 -0.027 0.000 0.845 475 L CB 0.498 42.563 42.059 0.011 0.000 1.143 475 L HN 0.459 nan 8.230 nan 0.000 0.452 476 R N 3.738 124.255 120.500 0.029 0.000 2.640 476 R HA 0.310 4.670 4.340 0.033 0.000 0.270 476 R C -0.575 175.806 176.300 0.135 0.000 1.024 476 R CA 0.541 56.678 56.100 0.060 0.000 1.085 476 R CB 0.312 30.589 30.300 -0.037 0.000 0.963 476 R HN 0.773 nan 8.270 nan 0.000 0.426 477 R N 1.470 122.097 120.500 0.211 0.000 2.604 477 R HA 0.558 4.918 4.340 0.033 0.000 0.270 477 R C -1.155 175.277 176.300 0.220 0.000 1.052 477 R CA 0.283 56.508 56.100 0.208 0.000 0.902 477 R CB 2.023 32.391 30.300 0.113 0.000 1.233 477 R HN 0.872 nan 8.270 nan 0.000 0.455 478 G N 1.716 110.624 108.800 0.180 0.000 2.352 478 G HA2 -0.076 3.904 3.960 0.033 0.000 0.324 478 G HA3 -0.076 3.904 3.960 0.033 0.000 0.324 478 G C -1.598 173.302 174.900 0.001 0.000 1.249 478 G CA -0.904 44.208 45.100 0.020 0.000 1.053 478 G HN 0.445 nan 8.290 nan 0.000 0.492 479 E N -0.111 119.970 120.200 -0.199 0.000 2.249 479 E HA 0.640 5.010 4.350 0.033 0.000 0.280 479 E C -1.147 175.205 176.600 -0.412 0.000 1.016 479 E CA -0.003 56.298 56.400 -0.166 0.000 0.830 479 E CB 1.365 30.984 29.700 -0.136 0.000 1.081 479 E HN 0.415 nan 8.360 nan 0.000 0.395 480 Y N -0.261 120.010 120.300 -0.049 0.000 2.492 480 Y HA 0.345 4.916 4.550 0.034 0.000 0.346 480 Y C -0.371 175.492 175.900 -0.061 0.000 0.997 480 Y CA -0.897 57.165 58.100 -0.062 0.000 1.025 480 Y CB 2.031 40.430 38.460 -0.101 0.000 1.263 480 Y HN 0.097 nan 8.280 nan 0.000 0.454 481 V N 5.196 125.156 119.914 0.077 0.000 2.380 481 V HA 0.398 4.538 4.120 0.033 0.000 0.286 481 V C -0.756 175.298 176.094 -0.066 0.000 1.015 481 V CA -0.716 61.564 62.300 -0.034 0.000 0.834 481 V CB 1.106 32.896 31.823 -0.055 0.000 1.009 481 V HN 0.553 nan 8.190 nan 0.000 0.428 482 L N 4.711 125.861 121.223 -0.122 0.000 2.287 482 L HA 0.573 4.933 4.340 0.033 0.000 0.287 482 L C -0.046 176.621 176.870 -0.337 0.000 1.022 482 L CA -0.636 54.134 54.840 -0.117 0.000 0.814 482 L CB 1.066 43.120 42.059 -0.008 0.000 1.217 482 L HN 0.551 nan 8.230 nan 0.000 0.420 483 H N 4.923 123.902 119.070 -0.152 0.000 2.723 483 H HA 0.345 4.921 4.556 0.033 0.000 0.294 483 H C -0.107 174.953 175.328 -0.446 0.000 1.079 483 H CA -0.134 55.753 56.048 -0.269 0.000 1.411 483 H CB 1.131 30.730 29.762 -0.272 0.000 1.439 483 H HN 0.508 nan 8.280 nan 0.000 0.474 484 M N 2.069 121.458 119.600 -0.351 0.000 2.267 484 M HA 0.192 4.692 4.480 0.033 0.000 0.303 484 M C -0.358 175.595 176.300 -0.578 0.000 1.164 484 M CA -0.267 54.775 55.300 -0.431 0.000 1.060 484 M CB 1.031 33.506 32.600 -0.208 0.000 1.455 484 M HN 0.425 nan 8.290 nan 0.000 0.483 485 W N 0.722 121.803 121.300 -0.365 0.000 2.469 485 W HA 0.457 5.137 4.660 0.034 0.000 0.320 485 W C -0.148 176.210 176.519 -0.269 0.000 1.086 485 W CA -0.438 56.657 57.345 -0.418 0.000 1.211 485 W CB 0.671 29.675 29.460 -0.759 0.000 1.298 485 W HN 0.468 nan 8.180 nan 0.000 0.525 486 Q N 3.089 122.970 119.800 0.134 0.000 2.243 486 Q HA 0.333 4.693 4.340 0.033 0.000 0.252 486 Q C -0.390 175.632 176.000 0.037 0.000 0.909 486 Q CA -0.690 55.109 55.803 -0.006 0.000 0.922 486 Q CB 0.897 29.642 28.738 0.011 0.000 1.215 486 Q HN 0.341 nan 8.270 nan 0.000 0.427 487 I N 3.370 123.909 120.570 -0.051 0.000 2.529 487 I HA 0.047 4.237 4.170 0.033 0.000 0.284 487 I C 0.787 176.893 176.117 -0.017 0.000 1.082 487 I CA 0.436 61.749 61.300 0.023 0.000 1.406 487 I CB 0.830 38.805 38.000 -0.042 0.000 1.405 487 I HN 0.808 nan 8.210 nan 0.000 0.548 498 N N 1.484 120.313 118.700 0.215 0.000 2.476 498 N HA 0.500 5.260 4.740 0.033 0.000 0.275 498 N C 0.359 175.908 175.510 0.065 0.000 1.190 498 N CA 0.160 53.267 53.050 0.095 0.000 0.977 498 N CB 1.066 39.570 38.487 0.028 0.000 1.200 498 N HN 0.660 nan 8.380 nan 0.000 0.515 499 A N 0.404 123.260 122.820 0.060 0.000 1.940 499 A HA -0.191 4.149 4.320 0.033 0.000 0.219 499 A C 1.398 179.006 177.584 0.041 0.000 1.176 499 A CA 1.620 53.663 52.037 0.010 0.000 0.631 499 A CB -0.729 18.093 19.000 -0.295 0.000 0.814 499 A HN 0.773 nan 8.150 nan 0.000 0.446 500 D N -0.236 120.116 120.400 -0.080 0.000 2.178 500 D HA -0.111 4.549 4.640 0.033 0.000 0.201 500 D C 1.646 177.819 176.300 -0.212 0.000 0.980 500 D CA 1.057 54.890 54.000 -0.278 0.000 0.842 500 D CB -0.243 40.035 40.800 -0.869 0.000 0.948 500 D HN 0.464 nan 8.370 nan 0.000 0.472 501 K N 0.077 120.327 120.400 -0.250 0.000 2.515 501 K HA 0.001 4.341 4.320 0.033 0.000 0.196 501 K C 1.495 177.987 176.600 -0.180 0.000 1.038 501 K CA 0.272 56.284 56.287 -0.457 0.000 0.967 501 K CB 0.138 32.332 32.500 -0.509 0.000 0.780 501 K HN 0.209 nan 8.250 nan 0.000 0.483 502 L N -0.265 120.936 121.223 -0.036 0.000 2.640 502 L HA 0.066 4.426 4.340 0.033 0.000 0.230 502 L C 1.051 177.935 176.870 0.024 0.000 1.123 502 L CA -0.171 54.679 54.840 0.017 0.000 0.900 502 L CB 0.419 42.524 42.059 0.076 0.000 1.146 502 L HN -0.086 nan 8.230 nan 0.000 0.484 503 T N -0.401 114.133 114.554 -0.034 0.000 2.930 503 T HA 0.028 4.398 4.350 0.033 0.000 0.306 503 T C 1.322 176.006 174.700 -0.026 0.000 1.045 503 T CA 0.344 62.342 62.100 -0.171 0.000 1.134 503 T CB 0.955 69.464 68.868 -0.598 0.000 0.961 503 T HN 0.354 nan 8.240 nan 0.000 0.545 504 S N 3.123 118.800 115.700 -0.039 0.000 2.558 504 S HA 0.355 4.845 4.470 0.033 0.000 0.217 504 S C 0.933 175.572 174.600 0.065 0.000 0.975 504 S CA -0.110 58.096 58.200 0.011 0.000 0.912 504 S CB -0.008 63.151 63.200 -0.069 0.000 0.776 504 S HN 0.897 nan 8.310 nan 0.000 0.526 505 A N 2.364 125.222 122.820 0.063 0.000 2.371 505 A HA 0.566 4.906 4.320 0.033 0.000 0.257 505 A C 0.671 178.452 177.584 0.329 0.000 1.089 505 A CA -0.125 51.986 52.037 0.124 0.000 0.794 505 A CB 0.120 19.158 19.000 0.064 0.000 1.029 505 A HN 0.563 nan 8.150 nan 0.000 0.488 506 T N 0.030 114.680 114.554 0.159 0.000 2.945 506 T HA 0.381 4.751 4.350 0.033 0.000 0.286 506 T C 0.114 174.561 174.700 -0.421 0.000 1.025 506 T CA -0.983 61.080 62.100 -0.062 0.000 1.039 506 T CB 0.793 69.631 68.868 -0.049 0.000 1.068 506 T HN 0.593 nan 8.240 nan 0.000 0.497 507 N N 2.198 120.181 118.700 -1.195 0.000 2.411 507 N HA 0.074 4.834 4.740 0.033 0.000 0.265 507 N C -1.701 173.498 175.510 -0.518 0.000 1.266 507 N CA -1.615 50.609 53.050 -1.376 0.000 0.889 507 N CB 1.012 38.773 38.487 -1.211 0.000 1.069 507 N HN 0.339 nan 8.380 nan 0.000 0.476 508 P HA -0.079 nan 4.420 nan 0.000 0.217 508 P C -0.088 177.102 177.300 -0.184 0.000 1.150 508 P CA 0.901 63.917 63.100 -0.139 0.000 0.832 508 P CB 0.119 31.814 31.700 -0.007 0.000 0.787 509 D N 0.332 120.614 120.400 -0.197 0.000 2.429 509 D HA -0.034 4.626 4.640 0.033 0.000 0.253 509 D C 0.748 176.885 176.300 -0.271 0.000 1.294 509 D CA 0.266 54.159 54.000 -0.178 0.000 1.063 509 D CB 0.049 40.775 40.800 -0.125 0.000 1.096 509 D HN 0.106 nan 8.370 nan 0.000 0.516 510 K N 2.050 122.241 120.400 -0.348 0.000 2.432 510 K HA -0.085 4.256 4.320 0.033 0.000 0.196 510 K C 1.676 178.095 176.600 -0.302 0.000 1.038 510 K CA 0.324 56.257 56.287 -0.590 0.000 0.986 510 K CB 0.489 32.617 32.500 -0.621 0.000 0.782 510 K HN 0.495 nan 8.250 nan 0.000 0.485 511 E N 1.871 121.969 120.200 -0.170 0.000 2.086 511 E HA -0.147 4.223 4.350 0.033 0.000 0.190 511 E C 0.641 177.207 176.600 -0.055 0.000 0.975 511 E CA 1.330 57.676 56.400 -0.091 0.000 0.813 511 E CB 0.054 29.712 29.700 -0.070 0.000 0.768 511 E HN 0.428 nan 8.360 nan 0.000 0.457 512 N N 0.393 119.062 118.700 -0.052 0.000 2.291 512 N HA 0.073 4.833 4.740 0.033 0.000 0.244 512 N C -0.603 174.898 175.510 -0.015 0.000 1.216 512 N CA -0.207 52.828 53.050 -0.024 0.000 0.879 512 N CB 1.268 39.747 38.487 -0.014 0.000 1.167 512 N HN 0.071 nan 8.380 nan 0.000 0.515 513 S N -0.145 115.538 115.700 -0.028 0.000 2.638 513 S HA 0.552 5.042 4.470 0.033 0.000 0.298 513 S C -0.007 174.568 174.600 -0.041 0.000 1.111 513 S CA -0.976 57.206 58.200 -0.030 0.000 1.027 513 S CB 1.466 64.613 63.200 -0.088 0.000 1.064 513 S HN 0.214 nan 8.310 nan 0.000 0.525 514 M N 3.032 122.536 119.600 -0.160 0.000 2.243 514 M HA 0.496 4.996 4.480 0.033 0.000 0.341 514 M C -0.235 175.901 176.300 -0.273 0.000 1.130 514 M CA 0.477 55.579 55.300 -0.329 0.000 1.162 514 M CB 0.691 32.752 32.600 -0.897 0.000 1.497 514 M HN 0.948 nan 8.290 nan 0.000 0.456 515 S N 5.191 120.730 115.700 -0.270 0.000 2.595 515 S HA 0.815 5.305 4.470 0.033 0.000 0.281 515 S C -0.942 173.518 174.600 -0.234 0.000 1.117 515 S CA -1.049 56.942 58.200 -0.349 0.000 0.873 515 S CB 1.316 64.193 63.200 -0.538 0.000 1.108 515 S HN 1.004 nan 8.310 nan 0.000 0.477 516 I N 1.160 121.605 120.570 -0.209 0.000 2.647 516 I HA 0.638 4.828 4.170 0.033 0.000 0.295 516 I C -1.294 174.772 176.117 -0.086 0.000 1.078 516 I CA -0.397 60.839 61.300 -0.106 0.000 1.048 516 I CB 2.198 40.151 38.000 -0.079 0.000 1.239 516 I HN 0.812 nan 8.210 nan 0.000 0.421 517 S N 7.791 123.466 115.700 -0.041 0.000 2.482 517 S HA 0.747 5.237 4.470 0.033 0.000 0.303 517 S C -0.524 174.071 174.600 -0.007 0.000 1.091 517 S CA -0.595 57.590 58.200 -0.024 0.000 1.057 517 S CB 1.555 64.737 63.200 -0.030 0.000 1.031 517 S HN 0.590 nan 8.310 nan 0.000 0.485 518 I N -0.431 120.150 120.570 0.019 0.000 3.191 518 I HA 0.811 5.001 4.170 0.033 0.000 0.313 518 I C -1.922 174.211 176.117 0.027 0.000 1.193 518 I CA -1.426 59.876 61.300 0.003 0.000 0.968 518 I CB 1.786 39.802 38.000 0.026 0.000 1.262 518 I HN 0.501 nan 8.210 nan 0.000 0.456 519 L N 3.391 124.592 121.223 -0.037 0.000 2.385 519 L HA 0.711 5.071 4.340 0.033 0.000 0.273 519 L C -1.914 175.015 176.870 0.098 0.000 0.990 519 L CA -0.518 54.324 54.840 0.004 0.000 0.821 519 L CB 1.681 43.669 42.059 -0.120 0.000 1.279 519 L HN 0.623 nan 8.230 nan 0.000 0.412 520 L N 4.993 126.332 121.223 0.193 0.000 2.349 520 L HA 0.617 4.977 4.340 0.033 0.000 0.278 520 L C -1.095 175.899 176.870 0.207 0.000 0.996 520 L CA -0.070 54.896 54.840 0.210 0.000 0.825 520 L CB 1.510 43.706 42.059 0.228 0.000 1.243 520 L HN 0.661 nan 8.230 nan 0.000 0.412 521 D N 4.162 124.680 120.400 0.196 0.000 2.336 521 D HA 0.377 5.037 4.640 0.033 0.000 0.248 521 D C -1.290 175.060 176.300 0.083 0.000 1.326 521 D CA -0.138 53.953 54.000 0.151 0.000 0.973 521 D CB 0.947 41.856 40.800 0.181 0.000 1.255 521 D HN 0.455 nan 8.370 nan 0.000 0.558 526 P HA 0.510 nan 4.420 nan 0.000 0.337 526 P C 0.372 177.744 177.300 0.120 0.000 1.404 526 P CA -0.211 62.986 63.100 0.162 0.000 0.864 526 P CB 1.697 33.536 31.700 0.232 0.000 2.124 527 I N -5.337 115.297 120.570 0.107 0.000 1.623 527 I HA 0.524 4.714 4.170 0.033 0.000 0.310 527 I C -1.475 174.598 176.117 -0.075 0.000 3.101 527 I CA -0.989 60.312 61.300 0.001 0.000 1.056 527 I CB -0.187 37.833 38.000 0.034 0.000 2.463 527 I HN 0.510 nan 8.210 nan 0.000 0.687 528 A N 0.618 123.432 122.820 -0.009 0.000 2.525 528 A HA 0.972 5.312 4.320 0.033 0.000 0.291 528 A C -1.723 175.892 177.584 0.053 0.000 1.268 528 A CA -0.397 51.626 52.037 -0.023 0.000 0.712 528 A CB 1.940 20.889 19.000 -0.085 0.000 1.320 528 A HN 1.218 nan 8.150 nan 0.000 0.456 529 L N -0.447 120.792 121.223 0.025 0.000 2.410 529 L HA 0.981 5.341 4.340 0.033 0.000 0.270 529 L C -2.834 174.062 176.870 0.042 0.000 0.983 529 L CA -0.719 54.166 54.840 0.075 0.000 0.822 529 L CB 1.598 43.697 42.059 0.067 0.000 1.285 529 L HN 0.615 nan 8.230 nan 0.000 0.409 530 P HA 0.761 nan 4.420 nan 0.000 0.327 530 P C -1.696 175.642 177.300 0.064 0.000 0.978 530 P CA -0.563 62.565 63.100 0.047 0.000 0.656 530 P CB 0.948 32.669 31.700 0.036 0.000 1.512 544 R N -0.315 120.087 120.500 -0.165 0.000 1.181 544 R HA 0.487 4.847 4.340 0.033 0.000 0.422 544 R C -0.432 175.825 176.300 -0.071 0.000 1.335 544 R CA 1.478 57.520 56.100 -0.096 0.000 1.047 544 R CB -1.782 28.463 30.300 -0.091 0.000 3.189 544 R HN 2.892 nan 8.270 nan 0.000 0.504 545 A N 0.741 123.538 122.820 -0.040 0.000 2.450 545 A HA 0.210 4.550 4.320 0.033 0.000 0.672 545 A C -0.686 176.900 177.584 0.004 0.000 0.222 545 A CA -0.039 51.990 52.037 -0.013 0.000 0.125 545 A CB -0.503 18.491 19.000 -0.009 0.000 3.873 545 A HN 0.733 nan 8.150 nan 0.000 0.543 546 E N -0.682 119.530 120.200 0.019 0.000 2.790 546 E HA 0.766 5.136 4.350 0.033 0.000 0.256 546 E C -0.197 176.397 176.600 -0.010 0.000 1.246 546 E CA -0.601 55.801 56.400 0.002 0.000 1.041 546 E CB 0.618 30.312 29.700 -0.009 0.000 1.272 546 E HN 0.589 nan 8.360 nan 0.000 0.603 547 M N 2.171 121.693 119.600 -0.130 0.000 2.197 547 M HA 0.283 4.783 4.480 0.033 0.000 0.226 547 M C -2.598 173.551 176.300 -0.251 0.000 0.970 547 M CA -1.668 53.400 55.300 -0.387 0.000 1.036 547 M CB 1.484 33.812 32.600 -0.454 0.000 2.437 547 M HN 0.247 nan 8.290 nan 0.000 0.432 548 P HA -0.027 nan 4.420 nan 0.000 0.266 548 P C 0.494 177.723 177.300 -0.119 0.000 1.180 548 P CA 0.562 63.600 63.100 -0.103 0.000 0.765 548 P CB 0.590 32.254 31.700 -0.059 0.000 0.806 549 N N 2.526 121.179 118.700 -0.078 0.000 2.055 549 N HA -0.301 4.459 4.740 0.033 0.000 0.200 549 N C 1.608 177.071 175.510 -0.078 0.000 1.037 549 N CA 2.304 55.311 53.050 -0.071 0.000 0.881 549 N CB -0.486 37.974 38.487 -0.046 0.000 1.075 549 N HN 0.563 nan 8.380 nan 0.000 0.470 550 Q N -0.565 119.198 119.800 -0.062 0.000 2.167 550 Q HA -0.045 4.315 4.340 0.033 0.000 0.202 550 Q C 2.148 178.104 176.000 -0.074 0.000 0.970 550 Q CA 1.003 56.773 55.803 -0.056 0.000 0.855 550 Q CB -0.087 28.630 28.738 -0.034 0.000 0.911 550 Q HN 0.504 nan 8.270 nan 0.000 0.438 551 L N 0.193 121.357 121.223 -0.099 0.000 2.131 551 L HA -0.173 4.187 4.340 0.033 0.000 0.210 551 L C 2.703 179.459 176.870 -0.190 0.000 1.092 551 L CA 1.254 56.019 54.840 -0.126 0.000 0.759 551 L CB -0.415 41.546 42.059 -0.164 0.000 0.903 551 L HN 0.278 nan 8.230 nan 0.000 0.435 552 R N 0.669 121.039 120.500 -0.216 0.000 2.115 552 R HA -0.166 4.194 4.340 0.033 0.000 0.230 552 R C 2.164 178.382 176.300 -0.137 0.000 1.111 552 R CA 1.215 57.191 56.100 -0.207 0.000 0.976 552 R CB 0.070 30.263 30.300 -0.179 0.000 0.870 552 R HN 0.250 nan 8.270 nan 0.000 0.445 553 K N 0.054 120.393 120.400 -0.101 0.000 2.103 553 K HA -0.114 4.226 4.320 0.033 0.000 0.204 553 K C 2.226 178.787 176.600 -0.065 0.000 1.052 553 K CA 1.498 57.742 56.287 -0.072 0.000 0.945 553 K CB 0.064 32.532 32.500 -0.053 0.000 0.722 553 K HN 0.300 nan 8.250 nan 0.000 0.443 554 Q N 0.419 120.182 119.800 -0.061 0.000 2.079 554 Q HA -0.160 4.200 4.340 0.033 0.000 0.200 554 Q C 2.128 178.100 176.000 -0.047 0.000 0.974 554 Q CA 1.032 56.811 55.803 -0.040 0.000 0.840 554 Q CB -0.096 28.630 28.738 -0.020 0.000 0.898 554 Q HN 0.177 nan 8.270 nan 0.000 0.430 555 L N 1.292 122.470 121.223 -0.075 0.000 2.017 555 L HA -0.201 4.159 4.340 0.033 0.000 0.208 555 L C 1.883 178.685 176.870 -0.114 0.000 1.073 555 L CA 1.858 56.644 54.840 -0.090 0.000 0.745 555 L CB -0.204 41.772 42.059 -0.139 0.000 0.894 555 L HN 0.139 nan 8.230 nan 0.000 0.432 556 E N -0.689 119.433 120.200 -0.131 0.000 2.153 556 E HA -0.196 4.174 4.350 0.033 0.000 0.194 556 E C 2.140 178.698 176.600 -0.071 0.000 0.988 556 E CA 0.914 57.240 56.400 -0.124 0.000 0.811 556 E CB -0.266 29.371 29.700 -0.105 0.000 0.746 556 E HN 0.662 nan 8.360 nan 0.000 0.466 557 A N 1.361 124.148 122.820 -0.054 0.000 1.877 557 A HA -0.179 4.161 4.320 0.033 0.000 0.216 557 A C 2.181 179.748 177.584 -0.028 0.000 1.186 557 A CA 1.089 53.105 52.037 -0.035 0.000 0.620 557 A CB -0.596 18.387 19.000 -0.029 0.000 0.822 557 A HN 0.130 nan 8.150 nan 0.000 0.443 558 I N 0.071 120.624 120.570 -0.028 0.000 2.208 558 I HA -0.248 3.942 4.170 0.033 0.000 0.245 558 I C 2.057 178.166 176.117 -0.014 0.000 1.097 558 I CA 0.949 62.240 61.300 -0.015 0.000 1.363 558 I CB -0.314 37.680 38.000 -0.010 0.000 1.051 558 I HN 0.242 nan 8.210 nan 0.000 0.413 559 I N 1.039 121.590 120.570 -0.032 0.000 2.361 559 I HA -0.213 3.977 4.170 0.033 0.000 0.251 559 I C 2.683 178.799 176.117 -0.002 0.000 1.133 559 I CA 1.457 62.745 61.300 -0.020 0.000 1.413 559 I CB -1.605 36.362 38.000 -0.056 0.000 1.073 559 I HN 0.171 nan 8.210 nan 0.000 0.424 560 A N 0.347 123.159 122.820 -0.013 0.000 2.119 560 A HA -0.037 4.303 4.320 0.033 0.000 0.216 560 A C 1.476 179.056 177.584 -0.007 0.000 1.152 560 A CA 0.794 52.826 52.037 -0.008 0.000 0.708 560 A CB -0.967 18.024 19.000 -0.016 0.000 0.805 560 A HN 0.523 nan 8.150 nan 0.000 0.460 561 T N 0.432 114.983 114.554 -0.005 0.000 2.855 561 T HA 0.253 4.623 4.350 0.033 0.000 0.314 561 T C 0.163 174.863 174.700 0.001 0.000 1.077 561 T CA -0.090 62.008 62.100 -0.005 0.000 1.095 561 T CB 0.303 69.170 68.868 -0.002 0.000 0.987 561 T HN 0.505 nan 8.240 nan 0.000 0.546 562 D N 1.810 122.207 120.400 -0.005 0.000 2.371 562 D HA 0.104 4.764 4.640 0.033 0.000 0.242 562 D C -1.939 174.369 176.300 0.014 0.000 1.218 562 D CA -1.757 52.242 54.000 -0.002 0.000 0.945 562 D CB 0.286 41.076 40.800 -0.016 0.000 1.137 562 D HN 0.242 nan 8.370 nan 0.000 0.464 563 P HA -0.011 nan 4.420 nan 0.000 0.225 563 P C 1.151 178.469 177.300 0.030 0.000 1.148 563 P CA 0.847 63.971 63.100 0.041 0.000 0.779 563 P CB 0.120 31.849 31.700 0.049 0.000 0.780 564 L N -2.415 118.817 121.223 0.015 0.000 2.585 564 L HA 0.132 4.492 4.340 0.033 0.000 0.226 564 L C 0.829 177.699 176.870 -0.001 0.000 1.113 564 L CA -0.141 54.702 54.840 0.006 0.000 0.876 564 L CB -0.485 41.577 42.059 0.005 0.000 1.072 564 L HN -0.104 nan 8.230 nan 0.000 0.468 565 N N 1.420 120.121 118.700 0.002 0.000 2.399 565 N HA 0.137 4.897 4.740 0.033 0.000 0.259 565 N C -1.987 173.526 175.510 0.005 0.000 1.160 565 N CA -1.169 51.880 53.050 -0.001 0.000 0.946 565 N CB 0.715 39.201 38.487 -0.002 0.000 1.156 565 N HN -0.106 nan 8.380 nan 0.000 0.489 566 P HA -0.032 nan 4.420 nan 0.000 0.288 566 P C -0.813 176.493 177.300 0.009 0.000 1.440 566 P CA 0.374 63.474 63.100 0.000 0.000 1.014 566 P CB 0.380 32.077 31.700 -0.005 0.000 1.353 567 L N -2.461 118.767 121.223 0.008 0.000 2.737 567 L HA 0.192 4.552 4.340 0.033 0.000 0.261 567 L C -0.409 176.467 176.870 0.010 0.000 0.949 567 L CA -0.559 54.289 54.840 0.014 0.000 0.952 567 L CB 1.778 43.851 42.059 0.024 0.000 1.337 567 L HN 0.175 nan 8.230 nan 0.000 0.430 568 T N 1.047 115.607 114.554 0.009 0.000 2.856 568 T HA 0.140 4.510 4.350 0.033 0.000 0.306 568 T C 1.392 176.097 174.700 0.009 0.000 1.062 568 T CA 0.549 62.653 62.100 0.007 0.000 1.083 568 T CB 1.672 70.544 68.868 0.008 0.000 0.984 568 T HN 0.724 nan 8.240 nan 0.000 0.542 569 A N 1.527 124.349 122.820 0.003 0.000 1.948 569 A HA -0.151 4.189 4.320 0.033 0.000 0.220 569 A C 2.234 179.824 177.584 0.010 0.000 1.177 569 A CA 1.628 53.665 52.037 -0.000 0.000 0.636 569 A CB -0.551 18.444 19.000 -0.008 0.000 0.815 569 A HN 0.920 nan 8.150 nan 0.000 0.449 570 E N -0.001 120.208 120.200 0.014 0.000 2.051 570 E HA -0.216 4.154 4.350 0.033 0.000 0.192 570 E C 1.469 178.094 176.600 0.041 0.000 0.991 570 E CA 1.483 57.899 56.400 0.026 0.000 0.799 570 E CB -0.264 29.450 29.700 0.024 0.000 0.748 570 E HN 0.611 nan 8.360 nan 0.000 0.449 571 D N 0.645 121.066 120.400 0.034 0.000 2.106 571 D HA -0.200 4.460 4.640 0.033 0.000 0.191 571 D C 1.937 178.271 176.300 0.055 0.000 0.997 571 D CA 1.248 55.273 54.000 0.041 0.000 0.834 571 D CB -0.196 40.621 40.800 0.027 0.000 0.956 571 D HN 0.196 nan 8.370 nan 0.000 0.448 572 K N 0.705 121.132 120.400 0.045 0.000 2.032 572 K HA -0.156 4.184 4.320 0.033 0.000 0.209 572 K C 2.122 178.779 176.600 0.094 0.000 1.048 572 K CA 1.104 57.423 56.287 0.054 0.000 0.927 572 K CB -0.129 32.382 32.500 0.017 0.000 0.712 572 K HN 0.328 nan 8.250 nan 0.000 0.441 573 E N 0.943 121.189 120.200 0.077 0.000 2.150 573 E HA -0.146 4.224 4.350 0.033 0.000 0.193 573 E C 2.182 178.866 176.600 0.140 0.000 0.985 573 E CA 0.617 57.078 56.400 0.101 0.000 0.814 573 E CB -0.105 29.616 29.700 0.035 0.000 0.752 573 E HN 0.273 nan 8.360 nan 0.000 0.466 574 L N 0.612 121.920 121.223 0.141 0.000 1.988 574 L HA -0.181 4.179 4.340 0.033 0.000 0.207 574 L C 2.388 179.390 176.870 0.220 0.000 1.071 574 L CA 0.694 55.667 54.840 0.221 0.000 0.744 574 L CB -0.220 41.953 42.059 0.191 0.000 0.893 574 L HN 0.191 nan 8.230 nan 0.000 0.433 575 L N -0.513 120.796 121.223 0.144 0.000 2.021 575 L HA -0.336 4.024 4.340 0.033 0.000 0.215 575 L C 2.186 179.104 176.870 0.080 0.000 1.074 575 L CA 2.008 56.901 54.840 0.089 0.000 0.760 575 L CB -1.476 40.615 42.059 0.053 0.000 0.889 575 L HN 0.534 nan 8.230 nan 0.000 0.433 576 W N -0.354 120.916 121.300 -0.051 0.000 2.409 576 W HA -0.214 4.461 4.660 0.025 0.000 0.299 576 W C 2.670 179.152 176.519 -0.062 0.000 1.203 576 W CA 1.578 58.873 57.345 -0.085 0.000 1.298 576 W CB -0.396 29.008 29.460 -0.093 0.000 1.127 576 W HN 0.375 nan 8.180 nan 0.000 0.528 577 H N -1.058 117.846 119.070 -0.276 0.000 2.387 577 H HA -0.150 4.420 4.556 0.023 0.000 0.299 577 H C 0.496 175.414 175.328 -0.684 0.000 1.090 577 H CA 1.316 57.032 56.048 -0.555 0.000 1.332 577 H CB -0.517 28.859 29.762 -0.644 0.000 1.386 577 H HN -0.028 nan 8.280 nan 0.000 0.516 578 F N 0.757 120.611 119.950 -0.159 0.000 2.986 578 F HA 0.223 4.751 4.527 0.001 0.000 0.297 578 F C 1.724 177.399 175.800 -0.208 0.000 1.210 578 F CA -0.445 57.440 58.000 -0.192 0.000 1.346 578 F CB 0.156 39.086 39.000 -0.116 0.000 1.007 578 F HN -0.042 nan 8.300 nan 0.000 0.512 579 R N -0.287 120.047 120.500 -0.277 0.000 2.113 579 R HA -0.243 4.117 4.340 0.033 0.000 0.244 579 R C 1.335 177.388 176.300 -0.413 0.000 1.142 579 R CA 2.158 57.969 56.100 -0.480 0.000 0.953 579 R CB -0.316 29.465 30.300 -0.866 0.000 0.860 579 R HN 0.391 nan 8.270 nan 0.000 0.438 580 Y N -0.825 119.373 120.300 -0.169 0.000 2.516 580 Y HA -0.060 4.508 4.550 0.030 0.000 0.291 580 Y C 2.148 178.036 175.900 -0.020 0.000 1.131 580 Y CA 0.930 58.976 58.100 -0.089 0.000 1.281 580 Y CB 0.065 38.474 38.460 -0.084 0.000 1.013 580 Y HN 0.167 nan 8.280 nan 0.000 0.554 581 E N -0.151 120.122 120.200 0.122 0.000 2.086 581 E HA -0.085 4.285 4.350 0.033 0.000 0.190 581 E C 2.122 178.800 176.600 0.131 0.000 0.975 581 E CA 1.365 57.839 56.400 0.122 0.000 0.813 581 E CB -0.213 29.536 29.700 0.081 0.000 0.768 581 E HN 0.117 nan 8.360 nan 0.000 0.457 582 S N 0.644 116.359 115.700 0.026 0.000 2.383 582 S HA -0.103 4.387 4.470 0.033 0.000 0.229 582 S C 1.500 176.090 174.600 -0.015 0.000 1.030 582 S CA 0.817 59.001 58.200 -0.027 0.000 1.002 582 S CB -0.298 62.810 63.200 -0.152 0.000 0.829 582 S HN 0.262 nan 8.310 nan 0.000 0.467 583 L N 1.565 122.725 121.223 -0.105 0.000 2.549 583 L HA 0.043 4.403 4.340 0.033 0.000 0.230 583 L C 1.447 178.431 176.870 0.190 0.000 1.162 583 L CA 1.578 56.361 54.840 -0.095 0.000 0.834 583 L CB -0.858 41.137 42.059 -0.106 0.000 0.947 583 L HN 0.292 nan 8.230 nan 0.000 0.452 584 K N -1.478 119.042 120.400 0.201 0.000 2.404 584 K HA 0.101 4.441 4.320 0.033 0.000 0.194 584 K C -0.192 176.348 176.600 -0.101 0.000 1.023 584 K CA 0.112 56.448 56.287 0.082 0.000 1.094 584 K CB 0.310 32.809 32.500 -0.002 0.000 0.841 584 K HN 0.356 nan 8.250 nan 0.000 0.523 585 H N -0.124 119.081 119.070 0.225 0.000 2.887 585 H HA 0.125 4.705 4.556 0.040 0.000 0.300 585 H C -2.288 173.263 175.328 0.372 0.000 1.038 585 H CA -1.970 54.199 56.048 0.203 0.000 1.352 585 H CB 1.878 31.711 29.762 0.117 0.000 1.473 585 H HN -0.164 nan 8.280 nan 0.000 0.503 586 P HA -0.180 nan 4.420 nan 0.000 0.216 586 P C 1.250 178.667 177.300 0.196 0.000 1.150 586 P CA 1.551 64.662 63.100 0.018 0.000 0.843 586 P CB 0.357 31.989 31.700 -0.113 0.000 0.787 587 K N -1.058 119.458 120.400 0.194 0.000 2.442 587 K HA 0.032 4.372 4.320 0.033 0.000 0.198 587 K C 1.794 178.518 176.600 0.206 0.000 1.042 587 K CA 0.982 57.368 56.287 0.165 0.000 0.958 587 K CB -0.275 32.287 32.500 0.103 0.000 0.766 587 K HN 0.107 nan 8.250 nan 0.000 0.474 588 A N 0.137 123.139 122.820 0.304 0.000 2.132 588 A HA -0.028 4.312 4.320 0.033 0.000 0.213 588 A C 1.300 178.951 177.584 0.112 0.000 1.154 588 A CA 0.348 52.491 52.037 0.176 0.000 0.753 588 A CB -0.294 18.776 19.000 0.116 0.000 0.826 588 A HN 0.160 nan 8.150 nan 0.000 0.469 589 Y N 0.632 120.887 120.300 -0.074 0.000 2.114 589 Y HA -0.140 4.430 4.550 0.035 0.000 0.282 589 Y C -0.223 175.547 175.900 -0.218 0.000 1.165 589 Y CA 2.113 60.066 58.100 -0.245 0.000 1.148 589 Y CB -1.911 36.460 38.460 -0.149 0.000 0.972 589 Y HN 0.287 nan 8.280 nan 0.000 0.504 590 P HA -0.160 nan 4.420 nan 0.000 0.215 590 P C 1.453 178.921 177.300 0.280 0.000 1.157 590 P CA 2.034 65.230 63.100 0.159 0.000 0.863 590 P CB 0.004 31.809 31.700 0.175 0.000 0.787 591 K N -0.718 119.767 120.400 0.142 0.000 2.063 591 K HA -0.150 4.190 4.320 0.033 0.000 0.208 591 K C 2.053 178.680 176.600 0.046 0.000 1.048 591 K CA 1.111 57.459 56.287 0.102 0.000 0.928 591 K CB -1.338 31.192 32.500 0.051 0.000 0.713 591 K HN 0.105 nan 8.250 nan 0.000 0.442 592 L N 0.898 122.050 121.223 -0.120 0.000 1.990 592 L HA -0.159 4.201 4.340 0.033 0.000 0.213 592 L C 2.095 178.858 176.870 -0.177 0.000 1.072 592 L CA 1.729 56.402 54.840 -0.279 0.000 0.755 592 L CB -0.660 40.986 42.059 -0.687 0.000 0.889 592 L HN 0.069 nan 8.230 nan 0.000 0.432 593 F N -1.166 118.919 119.950 0.224 0.000 2.407 593 F HA -0.070 4.480 4.527 0.039 0.000 0.299 593 F C 2.277 178.378 175.800 0.501 0.000 1.097 593 F CA 0.705 58.943 58.000 0.396 0.000 1.422 593 F CB -0.326 38.985 39.000 0.518 0.000 1.067 593 F HN 0.038 nan 8.300 nan 0.000 0.539 594 S N -1.057 114.948 115.700 0.508 0.000 2.561 594 S HA -0.065 4.425 4.470 0.033 0.000 0.225 594 S C 1.807 176.515 174.600 0.180 0.000 0.977 594 S CA 0.615 59.010 58.200 0.326 0.000 0.926 594 S CB -0.118 63.199 63.200 0.196 0.000 0.769 594 S HN 0.181 nan 8.310 nan 0.000 0.533 595 S N 0.806 116.583 115.700 0.129 0.000 2.535 595 S HA 0.196 4.686 4.470 0.033 0.000 0.214 595 S C 0.576 175.079 174.600 -0.162 0.000 0.980 595 S CA -0.131 58.081 58.200 0.020 0.000 0.907 595 S CB 0.263 63.506 63.200 0.071 0.000 0.790 595 S HN 0.193 nan 8.310 nan 0.000 0.510 596 V N 2.906 122.670 119.914 -0.251 0.000 2.686 596 V HA 0.141 4.281 4.120 0.033 0.000 0.295 596 V C 0.336 175.934 176.094 -0.828 0.000 1.055 596 V CA -0.180 61.644 62.300 -0.793 0.000 1.050 596 V CB 0.959 32.099 31.823 -1.138 0.000 0.984 596 V HN 0.210 nan 8.190 nan 0.000 0.482 597 K N 4.490 124.376 120.400 -0.857 0.000 2.184 597 K HA 0.125 4.465 4.320 0.033 0.000 0.259 597 K C 0.175 176.458 176.600 -0.529 0.000 1.119 597 K CA 0.033 55.998 56.287 -0.536 0.000 0.991 597 K CB 0.280 32.505 32.500 -0.459 0.000 1.522 597 K HN 0.694 nan 8.250 nan 0.000 0.405 598 W N 0.947 122.110 121.300 -0.229 0.000 2.421 598 W HA -0.080 4.601 4.660 0.036 0.000 0.270 598 W C 1.933 178.265 176.519 -0.312 0.000 1.233 598 W CA 0.463 57.629 57.345 -0.300 0.000 1.226 598 W CB 0.079 29.303 29.460 -0.394 0.000 1.121 598 W HN 0.636 nan 8.180 nan 0.000 0.579 599 G N -0.336 108.420 108.800 -0.073 0.000 2.956 599 G HA2 -0.020 3.960 3.960 0.033 0.000 0.207 599 G HA3 -0.020 3.960 3.960 0.033 0.000 0.207 599 G C 0.324 175.158 174.900 -0.109 0.000 1.162 599 G CA -0.197 44.850 45.100 -0.089 0.000 0.796 599 G HN 0.181 nan 8.290 nan 0.000 0.527 600 Q N -0.236 119.469 119.800 -0.158 0.000 2.339 600 Q HA 0.257 4.617 4.340 0.033 0.000 0.268 600 Q C 0.810 176.717 176.000 -0.155 0.000 1.027 600 Q CA -0.447 55.264 55.803 -0.152 0.000 0.759 600 Q CB 1.869 30.494 28.738 -0.189 0.000 1.244 600 Q HN 0.311 nan 8.270 nan 0.000 0.464 601 Q N 2.339 122.077 119.800 -0.104 0.000 2.082 601 Q HA -0.326 4.034 4.340 0.033 0.000 0.211 601 Q C 1.606 177.540 176.000 -0.111 0.000 1.002 601 Q CA 2.405 58.153 55.803 -0.092 0.000 0.868 601 Q CB 0.189 28.898 28.738 -0.049 0.000 0.931 601 Q HN 0.740 nan 8.270 nan 0.000 0.414 602 E N -0.649 119.498 120.200 -0.089 0.000 2.085 602 E HA -0.214 4.156 4.350 0.033 0.000 0.194 602 E C 1.857 178.409 176.600 -0.080 0.000 0.994 602 E CA 1.335 57.696 56.400 -0.066 0.000 0.801 602 E CB -0.049 29.627 29.700 -0.039 0.000 0.743 602 E HN 0.421 nan 8.360 nan 0.000 0.453 603 I N 0.751 121.230 120.570 -0.152 0.000 2.202 603 I HA -0.215 3.975 4.170 0.033 0.000 0.242 603 I C 2.522 178.471 176.117 -0.279 0.000 1.091 603 I CA 0.773 61.937 61.300 -0.226 0.000 1.368 603 I CB -1.098 36.608 38.000 -0.489 0.000 1.058 603 I HN 0.111 nan 8.210 nan 0.000 0.410 604 V N 1.501 121.192 119.914 -0.371 0.000 2.332 604 V HA -0.308 3.832 4.120 0.033 0.000 0.248 604 V C 2.848 178.649 176.094 -0.490 0.000 1.055 604 V CA 1.875 63.895 62.300 -0.465 0.000 1.038 604 V CB -1.175 30.440 31.823 -0.348 0.000 0.651 604 V HN 0.472 nan 8.190 nan 0.000 0.450 605 A N -0.243 122.388 122.820 -0.315 0.000 1.892 605 A HA -0.298 4.042 4.320 0.033 0.000 0.218 605 A C 2.284 179.833 177.584 -0.059 0.000 1.188 605 A CA 2.281 54.200 52.037 -0.196 0.000 0.631 605 A CB -0.520 18.434 19.000 -0.076 0.000 0.822 605 A HN 0.559 nan 8.150 nan 0.000 0.447 606 K N -1.011 119.401 120.400 0.019 0.000 2.147 606 K HA -0.094 4.246 4.320 0.033 0.000 0.205 606 K C 2.086 178.783 176.600 0.161 0.000 1.049 606 K CA 1.596 57.962 56.287 0.130 0.000 0.936 606 K CB -0.372 32.276 32.500 0.246 0.000 0.722 606 K HN 0.534 nan 8.250 nan 0.000 0.446 607 T N 0.706 115.354 114.554 0.156 0.000 2.674 607 T HA -0.152 4.218 4.350 0.033 0.000 0.265 607 T C 1.690 176.574 174.700 0.307 0.000 1.039 607 T CA 1.226 63.459 62.100 0.221 0.000 1.150 607 T CB -0.463 68.445 68.868 0.066 0.000 0.864 607 T HN 0.308 nan 8.240 nan 0.000 0.427 608 Y N 1.596 121.956 120.300 0.100 0.000 2.207 608 Y HA -0.224 4.346 4.550 0.033 0.000 0.287 608 Y C 3.018 178.962 175.900 0.072 0.000 1.156 608 Y CA 0.641 58.791 58.100 0.082 0.000 1.182 608 Y CB -0.299 38.211 38.460 0.084 0.000 0.979 608 Y HN 0.326 nan 8.280 nan 0.000 0.521 609 Q N 0.193 120.140 119.800 0.245 0.000 2.096 609 Q HA -0.216 4.144 4.340 0.033 0.000 0.204 609 Q C 2.397 178.482 176.000 0.142 0.000 0.982 609 Q CA 1.201 57.106 55.803 0.169 0.000 0.850 609 Q CB -0.167 28.658 28.738 0.145 0.000 0.901 609 Q HN 0.549 nan 8.270 nan 0.000 0.422 610 L N 0.417 121.699 121.223 0.098 0.000 2.017 610 L HA -0.208 4.152 4.340 0.033 0.000 0.208 610 L C 2.139 179.045 176.870 0.061 0.000 1.073 610 L CA 1.210 56.040 54.840 -0.016 0.000 0.745 610 L CB -0.244 41.749 42.059 -0.110 0.000 0.894 610 L HN 0.324 nan 8.230 nan 0.000 0.432 611 L N -0.823 120.471 121.223 0.119 0.000 2.362 611 L HA -0.145 4.215 4.340 0.033 0.000 0.219 611 L C 2.689 179.616 176.870 0.094 0.000 1.134 611 L CA 0.550 55.450 54.840 0.101 0.000 0.807 611 L CB -0.671 41.419 42.059 0.052 0.000 0.927 611 L HN 0.262 nan 8.230 nan 0.000 0.447 612 A N 0.282 123.165 122.820 0.104 0.000 1.877 612 A HA -0.195 4.145 4.320 0.033 0.000 0.216 612 A C 1.913 179.559 177.584 0.104 0.000 1.186 612 A CA 0.988 53.083 52.037 0.096 0.000 0.620 612 A CB -0.322 18.739 19.000 0.103 0.000 0.822 612 A HN 0.340 nan 8.150 nan 0.000 0.443 613 R N 0.064 120.637 120.500 0.122 0.000 3.171 613 R HA 0.268 4.628 4.340 0.033 0.000 0.241 613 R C 0.503 176.892 176.300 0.149 0.000 1.421 613 R CA -0.223 55.955 56.100 0.130 0.000 1.444 613 R CB -0.169 30.222 30.300 0.151 0.000 1.247 613 R HN 0.413 nan 8.270 nan 0.000 0.636 614 R N 1.690 122.286 120.500 0.160 0.000 2.427 614 R HA 0.032 4.392 4.340 0.033 0.000 0.262 614 R C 0.484 176.924 176.300 0.235 0.000 0.943 614 R CA 0.076 56.314 56.100 0.229 0.000 1.081 614 R CB 0.327 30.770 30.300 0.238 0.000 1.166 614 R HN 0.618 nan 8.270 nan 0.000 0.534 615 E N -0.057 120.240 120.200 0.162 0.000 2.132 615 E HA -0.308 4.062 4.350 0.033 0.000 0.218 615 E C 1.725 178.397 176.600 0.121 0.000 1.058 615 E CA 2.262 58.734 56.400 0.120 0.000 0.882 615 E CB -0.227 29.526 29.700 0.089 0.000 0.774 615 E HN 0.125 nan 8.360 nan 0.000 0.467 616 V N 1.145 121.148 119.914 0.149 0.000 2.282 616 V HA -0.276 3.864 4.120 0.033 0.000 0.249 616 V C 2.038 178.203 176.094 0.119 0.000 1.057 616 V CA 2.080 64.455 62.300 0.124 0.000 1.032 616 V CB -0.881 31.039 31.823 0.161 0.000 0.645 616 V HN 0.518 nan 8.190 nan 0.000 0.447 617 W N 1.571 122.893 121.300 0.037 0.000 2.354 617 W HA -0.201 4.479 4.660 0.032 0.000 0.315 617 W C 2.140 178.624 176.519 -0.057 0.000 1.206 617 W CA 2.124 59.430 57.345 -0.064 0.000 1.290 617 W CB -0.402 29.063 29.460 0.008 0.000 1.152 617 W HN 0.359 nan 8.180 nan 0.000 0.489 618 D N 0.124 120.565 120.400 0.067 0.000 2.221 618 D HA -0.210 4.450 4.640 0.033 0.000 0.204 618 D C 1.915 178.139 176.300 -0.127 0.000 0.982 618 D CA 1.553 55.529 54.000 -0.040 0.000 0.857 618 D CB -0.536 40.312 40.800 0.080 0.000 0.934 618 D HN 0.482 nan 8.370 nan 0.000 0.475 619 Q N 0.193 119.932 119.800 -0.102 0.000 2.319 619 Q HA 0.075 4.435 4.340 0.033 0.000 0.202 619 Q C 0.554 176.456 176.000 -0.162 0.000 0.896 619 Q CA -0.158 55.582 55.803 -0.105 0.000 0.942 619 Q CB 0.507 29.214 28.738 -0.052 0.000 1.083 619 Q HN 0.125 nan 8.270 nan 0.000 0.510 620 S N 0.462 116.007 115.700 -0.259 0.000 2.572 620 S HA 0.413 4.903 4.470 0.033 0.000 0.279 620 S C 0.338 174.761 174.600 -0.295 0.000 1.341 620 S CA -0.593 57.430 58.200 -0.295 0.000 1.043 620 S CB 1.115 64.054 63.200 -0.435 0.000 0.887 620 S HN 0.246 nan 8.310 nan 0.000 0.516 621 A N 2.769 125.455 122.820 -0.222 0.000 2.520 621 A HA 0.376 4.716 4.320 0.033 0.000 0.245 621 A C 0.265 177.709 177.584 -0.233 0.000 1.072 621 A CA -0.591 51.336 52.037 -0.183 0.000 0.761 621 A CB -0.360 18.561 19.000 -0.133 0.000 1.004 621 A HN 1.182 nan 8.150 nan 0.000 0.499 622 L N 2.497 123.595 121.223 -0.208 0.000 2.559 622 L HA 0.122 4.482 4.340 0.033 0.000 0.274 622 L C -0.139 176.624 176.870 -0.178 0.000 1.205 622 L CA 0.776 55.484 54.840 -0.220 0.000 0.907 622 L CB 0.176 42.144 42.059 -0.151 0.000 1.153 622 L HN 0.656 nan 8.230 nan 0.000 0.490 623 D N 4.194 124.471 120.400 -0.205 0.000 2.454 623 D HA 0.139 4.799 4.640 0.033 0.000 0.247 623 D C 0.880 177.099 176.300 -0.135 0.000 1.129 623 D CA -0.355 53.559 54.000 -0.143 0.000 0.877 623 D CB 1.528 42.245 40.800 -0.137 0.000 1.082 623 D HN 0.437 nan 8.370 nan 0.000 0.537 624 V N 3.682 123.505 119.914 -0.153 0.000 2.392 624 V HA -0.144 3.996 4.120 0.033 0.000 0.249 624 V C 2.501 178.480 176.094 -0.190 0.000 1.059 624 V CA 2.269 64.422 62.300 -0.246 0.000 1.051 624 V CB -0.475 31.062 31.823 -0.476 0.000 0.658 624 V HN 0.680 nan 8.190 nan 0.000 0.455 625 G N -0.647 108.085 108.800 -0.112 0.000 2.440 625 G HA2 -0.236 3.744 3.960 0.033 0.000 0.218 625 G HA3 -0.236 3.744 3.960 0.033 0.000 0.218 625 G C 1.648 176.534 174.900 -0.024 0.000 1.154 625 G CA 0.982 46.050 45.100 -0.053 0.000 0.767 625 G HN 0.445 nan 8.290 nan 0.000 0.552 626 L N 0.331 121.545 121.223 -0.014 0.000 2.027 626 L HA -0.079 4.281 4.340 0.033 0.000 0.206 626 L C 3.232 180.137 176.870 0.059 0.000 1.074 626 L CA 1.724 56.588 54.840 0.039 0.000 0.745 626 L CB -0.480 41.615 42.059 0.059 0.000 0.898 626 L HN 0.235 nan 8.230 nan 0.000 0.433 627 T N -0.204 114.369 114.554 0.033 0.000 2.684 627 T HA -0.249 4.121 4.350 0.033 0.000 0.267 627 T C 1.919 176.612 174.700 -0.012 0.000 1.036 627 T CA 1.528 63.652 62.100 0.039 0.000 1.148 627 T CB -0.167 68.680 68.868 -0.035 0.000 0.863 627 T HN 0.205 nan 8.240 nan 0.000 0.436 628 M N 1.260 120.835 119.600 -0.041 0.000 2.149 628 M HA -0.117 4.383 4.480 0.033 0.000 0.261 628 M C 2.334 178.641 176.300 0.012 0.000 1.064 628 M CA 1.520 56.808 55.300 -0.020 0.000 1.102 628 M CB -1.103 31.477 32.600 -0.033 0.000 1.369 628 M HN 0.401 nan 8.290 nan 0.000 0.408 629 Q N 0.240 120.050 119.800 0.017 0.000 2.124 629 Q HA -0.074 4.286 4.340 0.033 0.000 0.202 629 Q C 1.942 177.975 176.000 0.056 0.000 0.977 629 Q CA 1.012 56.855 55.803 0.067 0.000 0.850 629 Q CB -0.215 28.572 28.738 0.082 0.000 0.901 629 Q HN 0.510 nan 8.270 nan 0.000 0.429 630 L N 0.137 121.271 121.223 -0.148 0.000 2.610 630 L HA -0.021 4.339 4.340 0.033 0.000 0.232 630 L C 1.495 178.316 176.870 -0.083 0.000 1.149 630 L CA 0.301 54.884 54.840 -0.428 0.000 0.872 630 L CB 0.070 41.886 42.059 -0.404 0.000 0.992 630 L HN 0.227 nan 8.230 nan 0.000 0.447 631 L N -0.831 120.410 121.223 0.029 0.000 2.664 631 L HA 0.099 4.459 4.340 0.033 0.000 0.233 631 L C 0.845 177.770 176.870 0.092 0.000 1.113 631 L CA -0.389 54.496 54.840 0.075 0.000 0.896 631 L CB -0.085 42.014 42.059 0.066 0.000 1.163 631 L HN 0.290 nan 8.230 nan 0.000 0.497 632 D N -0.363 120.040 120.400 0.005 0.000 2.398 632 D HA -0.089 4.571 4.640 0.033 0.000 0.264 632 D C 1.487 177.417 176.300 -0.618 0.000 1.263 632 D CA -0.101 53.633 54.000 -0.443 0.000 1.037 632 D CB 0.328 40.902 40.800 -0.376 0.000 1.101 632 D HN 0.166 nan 8.370 nan 0.000 0.551 633 C N -1.386 117.240 119.300 -1.123 0.000 2.466 633 C HA 0.079 4.559 4.460 0.033 0.000 0.283 633 C C 1.517 176.248 174.990 -0.432 0.000 1.472 633 C CA 0.040 58.672 59.018 -0.643 0.000 1.765 633 C CB -2.027 25.397 27.740 -0.526 0.000 1.724 633 C HN 0.501 nan 8.230 nan 0.000 0.560 634 N N -0.568 117.812 118.700 -0.534 0.000 2.422 634 N HA 0.211 4.971 4.740 0.033 0.000 0.181 634 N C -0.459 174.374 175.510 -1.129 0.000 1.080 634 N CA 0.479 53.048 53.050 -0.802 0.000 0.893 634 N CB 0.017 37.936 38.487 -0.948 0.000 0.973 634 N HN 0.565 nan 8.380 nan 0.000 0.456 635 F N -0.717 119.111 119.950 -0.203 0.000 2.449 635 F HA 0.407 4.952 4.527 0.031 0.000 0.342 635 F C 0.785 176.375 175.800 -0.350 0.000 1.127 635 F CA -0.760 57.088 58.000 -0.253 0.000 0.975 635 F CB 2.021 40.928 39.000 -0.154 0.000 1.146 635 F HN -0.191 nan 8.300 nan 0.000 0.444 636 S N -0.066 115.342 115.700 -0.487 0.000 2.603 636 S HA -0.013 4.477 4.470 0.033 0.000 0.232 636 S C -0.056 174.258 174.600 -0.476 0.000 1.016 636 S CA -0.275 57.578 58.200 -0.579 0.000 0.976 636 S CB -0.031 62.556 63.200 -1.021 0.000 0.921 636 S HN 0.641 nan 8.310 nan 0.000 0.516 637 D N 1.964 122.101 120.400 -0.439 0.000 2.312 637 D HA 0.084 4.744 4.640 0.033 0.000 0.252 637 D C 0.599 176.836 176.300 -0.105 0.000 1.150 637 D CA 0.140 53.998 54.000 -0.236 0.000 0.870 637 D CB 0.972 41.533 40.800 -0.398 0.000 1.153 637 D HN 0.250 nan 8.370 nan 0.000 0.457 638 E N 2.633 122.821 120.200 -0.020 0.000 2.130 638 E HA -0.203 4.167 4.350 0.033 0.000 0.196 638 E C 1.313 177.869 176.600 -0.072 0.000 0.998 638 E CA 0.996 57.383 56.400 -0.021 0.000 0.806 638 E CB 0.181 29.886 29.700 0.008 0.000 0.738 638 E HN 0.506 nan 8.360 nan 0.000 0.459 639 N N 0.378 119.005 118.700 -0.121 0.000 2.250 639 N HA -0.083 4.677 4.740 0.033 0.000 0.181 639 N C 2.013 177.396 175.510 -0.212 0.000 1.017 639 N CA 0.710 53.639 53.050 -0.202 0.000 0.866 639 N CB -0.046 38.193 38.487 -0.413 0.000 0.985 639 N HN 0.021 nan 8.380 nan 0.000 0.429 640 V N 2.166 121.941 119.914 -0.232 0.000 2.261 640 V HA -0.194 3.946 4.120 0.033 0.000 0.246 640 V C 2.393 178.317 176.094 -0.284 0.000 1.047 640 V CA 1.559 63.625 62.300 -0.390 0.000 1.015 640 V CB -0.425 31.151 31.823 -0.412 0.000 0.642 640 V HN 0.244 nan 8.190 nan 0.000 0.446 641 R N 0.141 120.537 120.500 -0.173 0.000 2.096 641 R HA -0.126 4.234 4.340 0.033 0.000 0.235 641 R C 2.384 178.635 176.300 -0.081 0.000 1.127 641 R CA 1.403 57.440 56.100 -0.106 0.000 0.968 641 R CB -0.604 29.669 30.300 -0.045 0.000 0.861 641 R HN 0.547 nan 8.270 nan 0.000 0.440 642 A N 1.967 124.740 122.820 -0.078 0.000 1.933 642 A HA -0.142 4.198 4.320 0.033 0.000 0.218 642 A C 2.219 179.788 177.584 -0.024 0.000 1.175 642 A CA 1.452 53.462 52.037 -0.044 0.000 0.628 642 A CB -0.643 18.332 19.000 -0.040 0.000 0.814 642 A HN 0.482 nan 8.150 nan 0.000 0.444 643 I N -2.929 117.608 120.570 -0.054 0.000 2.493 643 I HA -0.028 4.162 4.170 0.033 0.000 0.254 643 I C 2.320 178.555 176.117 0.196 0.000 1.160 643 I CA 1.225 62.555 61.300 0.051 0.000 1.445 643 I CB -0.510 37.368 38.000 -0.204 0.000 1.086 643 I HN 0.179 nan 8.210 nan 0.000 0.433 644 A N 1.927 124.775 122.820 0.047 0.000 1.845 644 A HA -0.089 4.251 4.320 0.033 0.000 0.215 644 A C 2.408 179.994 177.584 0.004 0.000 1.195 644 A CA 2.220 54.310 52.037 0.088 0.000 0.616 644 A CB -1.194 17.792 19.000 -0.023 0.000 0.832 644 A HN 0.317 nan 8.150 nan 0.000 0.443 645 V N 0.767 120.639 119.914 -0.070 0.000 2.392 645 V HA -0.359 3.781 4.120 0.033 0.000 0.249 645 V C 2.753 178.741 176.094 -0.178 0.000 1.059 645 V CA 2.370 64.552 62.300 -0.197 0.000 1.051 645 V CB -1.018 30.723 31.823 -0.136 0.000 0.658 645 V HN 0.798 nan 8.190 nan 0.000 0.455 646 Q N 0.208 119.991 119.800 -0.028 0.000 2.112 646 Q HA -0.336 4.024 4.340 0.033 0.000 0.206 646 Q C 2.252 178.240 176.000 -0.020 0.000 0.987 646 Q CA 2.197 58.011 55.803 0.018 0.000 0.858 646 Q CB -0.078 28.728 28.738 0.114 0.000 0.905 646 Q HN 0.465 nan 8.270 nan 0.000 0.420 647 K N 0.387 120.780 120.400 -0.012 0.000 2.148 647 K HA -0.019 4.321 4.320 0.033 0.000 0.204 647 K C 2.007 178.530 176.600 -0.130 0.000 1.050 647 K CA 0.909 57.137 56.287 -0.099 0.000 0.942 647 K CB -0.205 32.225 32.500 -0.116 0.000 0.724 647 K HN 0.271 nan 8.250 nan 0.000 0.446 648 L N 0.708 121.805 121.223 -0.211 0.000 2.083 648 L HA -0.168 4.192 4.340 0.033 0.000 0.209 648 L C 1.970 178.768 176.870 -0.121 0.000 1.083 648 L CA 1.005 55.671 54.840 -0.290 0.000 0.752 648 L CB -0.482 41.125 42.059 -0.752 0.000 0.899 648 L HN 0.187 nan 8.230 nan 0.000 0.433 649 E N 0.337 120.473 120.200 -0.106 0.000 2.208 649 E HA -0.256 4.114 4.350 0.033 0.000 0.202 649 E C 2.133 178.829 176.600 0.160 0.000 1.014 649 E CA 1.832 58.336 56.400 0.173 0.000 0.819 649 E CB -0.322 29.442 29.700 0.106 0.000 0.735 649 E HN 0.572 nan 8.360 nan 0.000 0.469 650 S N -0.171 115.570 115.700 0.067 0.000 2.671 650 S HA 0.094 4.584 4.470 0.033 0.000 0.220 650 S C 0.828 175.473 174.600 0.075 0.000 0.951 650 S CA -0.267 57.966 58.200 0.054 0.000 0.932 650 S CB -0.297 62.901 63.200 -0.003 0.000 0.777 650 S HN 0.027 nan 8.310 nan 0.000 0.508 651 L N 2.765 124.066 121.223 0.131 0.000 2.349 651 L HA 0.362 4.722 4.340 0.033 0.000 0.275 651 L C 0.689 177.654 176.870 0.158 0.000 1.115 651 L CA -0.650 54.280 54.840 0.150 0.000 0.820 651 L CB 0.881 43.068 42.059 0.213 0.000 1.135 651 L HN 0.461 nan 8.230 nan 0.000 0.445 652 E N 1.613 121.894 120.200 0.136 0.000 2.374 652 E HA 0.042 4.412 4.350 0.033 0.000 0.260 652 E C -0.310 176.383 176.600 0.155 0.000 1.101 652 E CA -0.804 55.673 56.400 0.128 0.000 0.907 652 E CB 0.954 30.718 29.700 0.108 0.000 1.014 652 E HN 0.488 nan 8.360 nan 0.000 0.427 653 D N 1.677 122.160 120.400 0.138 0.000 2.149 653 D HA -0.236 4.424 4.640 0.033 0.000 0.194 653 D C 1.286 177.687 176.300 0.169 0.000 1.001 653 D CA 1.895 55.975 54.000 0.132 0.000 0.849 653 D CB -0.285 40.583 40.800 0.113 0.000 0.939 653 D HN 0.672 nan 8.370 nan 0.000 0.449 654 D N 0.242 120.781 120.400 0.232 0.000 2.149 654 D HA -0.138 4.522 4.640 0.033 0.000 0.198 654 D C 1.452 177.956 176.300 0.340 0.000 0.990 654 D CA 1.050 55.250 54.000 0.332 0.000 0.839 654 D CB 0.104 41.111 40.800 0.345 0.000 0.948 654 D HN 0.056 nan 8.370 nan 0.000 0.460 655 D N -0.792 119.781 120.400 0.289 0.000 2.194 655 D HA -0.057 4.603 4.640 0.033 0.000 0.204 655 D C 2.182 178.687 176.300 0.342 0.000 0.964 655 D CA 0.283 54.477 54.000 0.324 0.000 0.846 655 D CB 0.192 41.154 40.800 0.271 0.000 0.962 655 D HN 0.144 nan 8.370 nan 0.000 0.490 656 V N 1.364 121.441 119.914 0.271 0.000 2.407 656 V HA -0.201 3.939 4.120 0.033 0.000 0.248 656 V C 2.607 178.815 176.094 0.190 0.000 1.055 656 V CA 1.010 63.469 62.300 0.264 0.000 1.049 656 V CB -0.340 31.589 31.823 0.176 0.000 0.662 656 V HN 0.190 nan 8.190 nan 0.000 0.455 657 L N -1.016 120.270 121.223 0.105 0.000 2.083 657 L HA -0.197 4.163 4.340 0.033 0.000 0.209 657 L C 2.476 179.291 176.870 -0.091 0.000 1.083 657 L CA 1.645 56.469 54.840 -0.026 0.000 0.752 657 L CB -0.688 41.299 42.059 -0.120 0.000 0.899 657 L HN 0.386 nan 8.230 nan 0.000 0.433 658 H N -1.640 117.357 119.070 -0.122 0.000 2.387 658 H HA -0.174 4.403 4.556 0.034 0.000 0.299 658 H C 1.112 176.117 175.328 -0.538 0.000 1.099 658 H CA 2.038 57.854 56.048 -0.387 0.000 1.315 658 H CB 0.080 29.474 29.762 -0.614 0.000 1.380 658 H HN 0.325 nan 8.280 nan 0.000 0.513 659 Y N -1.416 118.977 120.300 0.154 0.000 2.467 659 Y HA 0.074 4.644 4.550 0.034 0.000 0.250 659 Y C 1.603 177.562 175.900 0.099 0.000 1.155 659 Y CA -0.438 57.722 58.100 0.100 0.000 1.249 659 Y CB 0.415 38.937 38.460 0.104 0.000 1.146 659 Y HN 0.095 nan 8.280 nan 0.000 0.524 660 L N 0.412 121.765 121.223 0.217 0.000 2.013 660 L HA -0.243 4.117 4.340 0.033 0.000 0.212 660 L C 2.176 179.181 176.870 0.226 0.000 1.073 660 L CA 1.701 56.691 54.840 0.251 0.000 0.753 660 L CB -0.801 41.416 42.059 0.262 0.000 0.890 660 L HN 0.341 nan 8.230 nan 0.000 0.432 661 L N -0.539 120.714 121.223 0.051 0.000 2.012 661 L HA -0.230 4.130 4.340 0.033 0.000 0.210 661 L C 2.505 179.272 176.870 -0.172 0.000 1.073 661 L CA 1.844 56.450 54.840 -0.390 0.000 0.748 661 L CB -0.928 40.701 42.059 -0.716 0.000 0.891 661 L HN 0.444 nan 8.230 nan 0.000 0.431 662 Q N -0.607 119.166 119.800 -0.045 0.000 2.167 662 Q HA -0.150 4.210 4.340 0.033 0.000 0.202 662 Q C 2.359 178.404 176.000 0.075 0.000 0.970 662 Q CA 1.599 57.415 55.803 0.022 0.000 0.855 662 Q CB -0.290 28.507 28.738 0.099 0.000 0.911 662 Q HN 0.549 nan 8.270 nan 0.000 0.438 663 L N -0.022 121.278 121.223 0.129 0.000 2.109 663 L HA -0.124 4.236 4.340 0.033 0.000 0.207 663 L C 2.437 179.388 176.870 0.135 0.000 1.086 663 L CA 0.554 55.488 54.840 0.158 0.000 0.760 663 L CB -0.423 41.777 42.059 0.235 0.000 0.910 663 L HN 0.009 nan 8.230 nan 0.000 0.437 664 V N -0.637 119.342 119.914 0.108 0.000 2.295 664 V HA -0.273 3.867 4.120 0.033 0.000 0.246 664 V C 2.566 178.689 176.094 0.048 0.000 1.049 664 V CA 1.498 63.852 62.300 0.090 0.000 1.024 664 V CB -0.544 31.301 31.823 0.036 0.000 0.648 664 V HN 0.468 nan 8.190 nan 0.000 0.447 665 Q N -0.044 119.722 119.800 -0.057 0.000 2.124 665 Q HA -0.154 4.206 4.340 0.033 0.000 0.202 665 Q C 2.439 178.338 176.000 -0.169 0.000 0.977 665 Q CA 1.849 57.575 55.803 -0.128 0.000 0.850 665 Q CB -0.703 27.942 28.738 -0.154 0.000 0.901 665 Q HN 0.662 nan 8.270 nan 0.000 0.429 666 A N 0.463 123.269 122.820 -0.023 0.000 2.076 666 A HA -0.116 4.224 4.320 0.033 0.000 0.220 666 A C 2.360 179.920 177.584 -0.039 0.000 1.160 666 A CA 1.154 53.234 52.037 0.072 0.000 0.653 666 A CB -0.574 18.551 19.000 0.208 0.000 0.801 666 A HN 0.212 nan 8.150 nan 0.000 0.455 667 V N 0.103 120.004 119.914 -0.023 0.000 2.660 667 V HA -0.295 3.845 4.120 0.033 0.000 0.257 667 V C 2.250 178.152 176.094 -0.321 0.000 1.088 667 V CA 2.308 64.565 62.300 -0.071 0.000 1.106 667 V CB -0.689 31.164 31.823 0.050 0.000 0.686 667 V HN 0.606 nan 8.190 nan 0.000 0.481 668 K N -0.679 119.375 120.400 -0.578 0.000 2.362 668 K HA -0.036 4.304 4.320 0.033 0.000 0.200 668 K C 1.638 177.885 176.600 -0.590 0.000 1.046 668 K CA 1.203 56.885 56.287 -1.008 0.000 0.952 668 K CB -0.178 31.469 32.500 -1.422 0.000 0.753 668 K HN 0.494 nan 8.250 nan 0.000 0.466 669 F N 1.435 121.292 119.950 -0.154 0.000 2.765 669 F HA 0.067 4.615 4.527 0.035 0.000 0.302 669 F C 0.719 176.465 175.800 -0.091 0.000 1.111 669 F CA -0.336 57.605 58.000 -0.097 0.000 1.359 669 F CB 0.307 39.263 39.000 -0.074 0.000 1.097 669 F HN -0.162 nan 8.300 nan 0.000 0.577 670 E N 2.392 122.612 120.200 0.035 0.000 2.360 670 E HA 0.039 4.409 4.350 0.033 0.000 0.269 670 E C -1.478 175.080 176.600 -0.069 0.000 1.022 670 E CA -1.476 54.927 56.400 0.005 0.000 0.887 670 E CB 0.658 30.367 29.700 0.014 0.000 0.990 670 E HN 0.048 nan 8.360 nan 0.000 0.426 671 P HA -0.045 nan 4.420 nan 0.000 0.227 671 P C -0.338 176.589 177.300 -0.622 0.000 1.161 671 P CA 0.962 63.824 63.100 -0.395 0.000 0.788 671 P CB 0.323 31.722 31.700 -0.503 0.000 0.822 672 Y N -1.790 118.440 120.300 -0.118 0.000 2.499 672 Y HA 0.299 4.869 4.550 0.033 0.000 0.347 672 Y C 2.123 177.964 175.900 -0.099 0.000 0.987 672 Y CA -0.905 57.085 58.100 -0.184 0.000 1.044 672 Y CB 0.839 39.225 38.460 -0.124 0.000 1.245 672 Y HN -0.203 nan 8.280 nan 0.000 0.461 673 H N -0.467 118.674 119.070 0.119 0.000 2.289 673 H HA -0.157 4.419 4.556 0.034 0.000 0.296 673 H C 0.294 175.665 175.328 0.072 0.000 1.091 673 H CA 1.611 57.686 56.048 0.045 0.000 1.274 673 H CB -0.154 29.626 29.762 0.029 0.000 1.364 673 H HN 0.559 nan 8.280 nan 0.000 0.490 674 D N 1.043 121.595 120.400 0.254 0.000 2.308 674 D HA 0.211 4.871 4.640 0.033 0.000 0.251 674 D C -0.175 176.222 176.300 0.161 0.000 1.127 674 D CA 0.011 54.123 54.000 0.186 0.000 0.876 674 D CB 0.730 41.653 40.800 0.205 0.000 1.176 674 D HN 0.364 nan 8.370 nan 0.000 0.446 675 S N 1.591 117.369 115.700 0.130 0.000 2.567 675 S HA 0.576 5.066 4.470 0.033 0.000 0.270 675 S C 0.720 175.384 174.600 0.108 0.000 1.152 675 S CA -0.259 58.010 58.200 0.114 0.000 0.835 675 S CB 1.011 64.275 63.200 0.107 0.000 1.115 675 S HN 0.362 nan 8.310 nan 0.000 0.459 676 A N 0.868 123.743 122.820 0.091 0.000 1.940 676 A HA -0.019 4.321 4.320 0.033 0.000 0.219 676 A C 1.976 179.637 177.584 0.129 0.000 1.176 676 A CA 1.937 54.030 52.037 0.094 0.000 0.631 676 A CB -0.951 18.082 19.000 0.055 0.000 0.814 676 A HN 1.183 nan 8.150 nan 0.000 0.446 677 L N -0.653 120.639 121.223 0.115 0.000 2.109 677 L HA 0.070 4.430 4.340 0.033 0.000 0.207 677 L C 2.590 179.588 176.870 0.213 0.000 1.086 677 L CA 1.974 56.907 54.840 0.155 0.000 0.760 677 L CB -0.677 41.448 42.059 0.111 0.000 0.910 677 L HN 0.311 nan 8.230 nan 0.000 0.437 678 A N -0.376 122.540 122.820 0.160 0.000 1.930 678 A HA -0.148 4.192 4.320 0.033 0.000 0.217 678 A C 2.375 180.054 177.584 0.158 0.000 1.175 678 A CA 1.415 53.542 52.037 0.150 0.000 0.627 678 A CB -0.458 18.611 19.000 0.115 0.000 0.815 678 A HN 0.488 nan 8.150 nan 0.000 0.443 679 R N -1.960 118.637 120.500 0.162 0.000 2.148 679 R HA -0.019 4.341 4.340 0.033 0.000 0.223 679 R C 1.853 178.271 176.300 0.197 0.000 1.088 679 R CA 1.242 57.432 56.100 0.151 0.000 0.985 679 R CB -0.377 30.002 30.300 0.131 0.000 0.880 679 R HN 0.610 nan 8.270 nan 0.000 0.451 680 F N 1.314 121.307 119.950 0.073 0.000 2.259 680 F HA -0.035 4.513 4.527 0.035 0.000 0.298 680 F C 1.666 177.515 175.800 0.082 0.000 1.088 680 F CA 1.111 59.155 58.000 0.074 0.000 1.358 680 F CB 0.012 39.055 39.000 0.072 0.000 1.040 680 F HN -0.129 nan 8.300 nan 0.000 0.505 681 L N -0.470 120.804 121.223 0.085 0.000 2.156 681 L HA -0.158 4.202 4.340 0.033 0.000 0.208 681 L C 2.494 179.336 176.870 -0.047 0.000 1.095 681 L CA 0.623 55.442 54.840 -0.034 0.000 0.770 681 L CB -0.594 41.526 42.059 0.101 0.000 0.914 681 L HN 0.249 nan 8.230 nan 0.000 0.439 682 L N -0.118 121.125 121.223 0.033 0.000 1.988 682 L HA -0.234 4.126 4.340 0.033 0.000 0.207 682 L C 2.705 179.603 176.870 0.047 0.000 1.071 682 L CA 1.562 56.451 54.840 0.082 0.000 0.744 682 L CB -0.192 41.926 42.059 0.099 0.000 0.893 682 L HN 0.229 nan 8.230 nan 0.000 0.433 683 K N -0.597 119.800 120.400 -0.004 0.000 1.987 683 K HA -0.220 4.120 4.320 0.033 0.000 0.216 683 K C 2.079 178.634 176.600 -0.076 0.000 1.051 683 K CA 1.503 57.773 56.287 -0.028 0.000 0.942 683 K CB -0.182 32.305 32.500 -0.021 0.000 0.722 683 K HN 0.194 nan 8.250 nan 0.000 0.444 684 R N -0.051 120.305 120.500 -0.241 0.000 2.120 684 R HA -0.079 4.281 4.340 0.033 0.000 0.234 684 R C 2.331 178.597 176.300 -0.056 0.000 1.123 684 R CA 1.409 57.379 56.100 -0.218 0.000 0.975 684 R CB -1.127 28.892 30.300 -0.469 0.000 0.866 684 R HN 0.439 nan 8.270 nan 0.000 0.446 685 G N 0.737 109.525 108.800 -0.020 0.000 2.394 685 G HA2 -0.151 3.829 3.960 0.033 0.000 0.215 685 G HA3 -0.151 3.829 3.960 0.033 0.000 0.215 685 G C 1.558 176.658 174.900 0.332 0.000 1.165 685 G CA 0.071 45.218 45.100 0.077 0.000 0.784 685 G HN 0.207 nan 8.290 nan 0.000 0.535 686 L N -0.137 121.262 121.223 0.292 0.000 2.291 686 L HA 0.097 4.457 4.340 0.033 0.000 0.214 686 L C 2.782 179.721 176.870 0.115 0.000 1.120 686 L CA 0.599 55.570 54.840 0.219 0.000 0.799 686 L CB -0.149 41.954 42.059 0.074 0.000 0.925 686 L HN 0.186 nan 8.230 nan 0.000 0.446 687 R N 0.113 120.683 120.500 0.116 0.000 2.240 687 R HA -0.014 4.346 4.340 0.033 0.000 0.203 687 R C 0.457 176.913 176.300 0.260 0.000 1.011 687 R CA 0.395 56.557 56.100 0.103 0.000 1.007 687 R CB 0.328 30.659 30.300 0.052 0.000 0.911 687 R HN 0.231 nan 8.270 nan 0.000 0.468 688 N N 0.261 119.139 118.700 0.297 0.000 2.397 688 N HA 0.071 4.831 4.740 0.033 0.000 0.291 688 N C -0.426 175.191 175.510 0.179 0.000 1.065 688 N CA -0.333 52.861 53.050 0.240 0.000 0.884 688 N CB 1.824 40.386 38.487 0.126 0.000 1.551 688 N HN -0.094 nan 8.380 nan 0.000 0.487 689 K N 1.891 122.283 120.400 -0.014 0.000 2.097 689 K HA -0.123 4.217 4.320 0.033 0.000 0.206 689 K C 1.688 178.204 176.600 -0.141 0.000 1.049 689 K CA 0.980 57.156 56.287 -0.185 0.000 0.933 689 K CB 0.239 32.410 32.500 -0.547 0.000 0.717 689 K HN 0.507 nan 8.250 nan 0.000 0.442 690 R N 1.248 121.648 120.500 -0.166 0.000 2.081 690 R HA -0.071 4.289 4.340 0.033 0.000 0.235 690 R C 2.249 178.563 176.300 0.023 0.000 1.131 690 R CA 1.155 57.166 56.100 -0.150 0.000 0.960 690 R CB -0.151 30.006 30.300 -0.238 0.000 0.856 690 R HN 0.129 nan 8.270 nan 0.000 0.436 691 I N -0.089 120.490 120.570 0.016 0.000 2.315 691 I HA -0.134 4.056 4.170 0.033 0.000 0.248 691 I C 2.403 178.519 176.117 -0.001 0.000 1.117 691 I CA 1.303 62.621 61.300 0.031 0.000 1.404 691 I CB -0.467 37.536 38.000 0.005 0.000 1.071 691 I HN 0.390 nan 8.210 nan 0.000 0.419 692 G N -0.300 108.525 108.800 0.042 0.000 2.432 692 G HA2 -0.327 3.653 3.960 0.033 0.000 0.219 692 G HA3 -0.327 3.653 3.960 0.033 0.000 0.219 692 G C 1.456 176.334 174.900 -0.037 0.000 1.135 692 G CA 1.159 46.238 45.100 -0.034 0.000 0.767 692 G HN 0.440 nan 8.290 nan 0.000 0.550 693 H N -0.269 118.816 119.070 0.023 0.000 2.299 693 H HA 0.026 4.602 4.556 0.033 0.000 0.302 693 H C 2.146 177.452 175.328 -0.037 0.000 1.078 693 H CA 1.614 57.703 56.048 0.067 0.000 1.323 693 H CB -0.356 29.276 29.762 -0.217 0.000 1.381 693 H HN 0.337 nan 8.280 nan 0.000 0.498 694 F N -0.537 119.326 119.950 -0.146 0.000 2.234 694 F HA -0.101 4.446 4.527 0.034 0.000 0.299 694 F C 2.323 177.625 175.800 -0.830 0.000 1.087 694 F CA 0.556 58.221 58.000 -0.558 0.000 1.340 694 F CB -0.168 38.444 39.000 -0.648 0.000 1.031 694 F HN 0.249 nan 8.300 nan 0.000 0.500 695 L N -0.192 120.818 121.223 -0.356 0.000 2.046 695 L HA -0.225 4.135 4.340 0.033 0.000 0.208 695 L C 2.153 178.796 176.870 -0.378 0.000 1.077 695 L CA 1.638 56.278 54.840 -0.334 0.000 0.747 695 L CB -1.189 40.636 42.059 -0.389 0.000 0.896 695 L HN 0.181 nan 8.230 nan 0.000 0.432 696 F N -0.614 118.957 119.950 -0.631 0.000 2.025 696 F HA -0.292 4.255 4.527 0.033 0.000 0.297 696 F C 1.949 177.364 175.800 -0.640 0.000 1.132 696 F CA 2.260 59.808 58.000 -0.753 0.000 1.191 696 F CB -0.801 37.515 39.000 -1.140 0.000 0.963 696 F HN 0.137 nan 8.300 nan 0.000 0.481 697 W N -0.245 120.898 121.300 -0.263 0.000 2.374 697 W HA -0.138 4.542 4.660 0.033 0.000 0.288 697 W C 2.508 178.991 176.519 -0.061 0.000 1.218 697 W CA 1.323 58.558 57.345 -0.184 0.000 1.245 697 W CB -0.852 28.565 29.460 -0.072 0.000 1.126 697 W HN 0.055 nan 8.180 nan 0.000 0.545 698 F N -0.307 119.646 119.950 0.004 0.000 2.146 698 F HA -0.216 4.331 4.527 0.034 0.000 0.298 698 F C 2.155 177.774 175.800 -0.301 0.000 1.096 698 F CA 0.573 58.509 58.000 -0.106 0.000 1.275 698 F CB -0.750 38.190 39.000 -0.100 0.000 1.008 698 F HN -0.192 nan 8.300 nan 0.000 0.480 699 L N -0.142 120.963 121.223 -0.197 0.000 2.056 699 L HA -0.189 4.171 4.340 0.033 0.000 0.207 699 L C 2.562 179.197 176.870 -0.392 0.000 1.078 699 L CA 1.162 55.766 54.840 -0.393 0.000 0.749 699 L CB -0.596 41.266 42.059 -0.329 0.000 0.901 699 L HN 0.055 nan 8.230 nan 0.000 0.433 700 R N -0.278 119.938 120.500 -0.473 0.000 2.096 700 R HA -0.183 4.177 4.340 0.033 0.000 0.235 700 R C 2.622 178.812 176.300 -0.183 0.000 1.127 700 R CA 1.517 57.355 56.100 -0.436 0.000 0.968 700 R CB -0.194 29.653 30.300 -0.755 0.000 0.861 700 R HN 0.246 nan 8.270 nan 0.000 0.440 701 S N 0.263 115.914 115.700 -0.082 0.000 2.374 701 S HA -0.171 4.319 4.470 0.033 0.000 0.227 701 S C 1.631 176.188 174.600 -0.072 0.000 1.037 701 S CA 1.483 59.681 58.200 -0.003 0.000 1.024 701 S CB -0.125 63.102 63.200 0.046 0.000 0.861 701 S HN 0.368 nan 8.310 nan 0.000 0.456 702 E N 0.778 120.869 120.200 -0.181 0.000 2.076 702 E HA 0.077 4.447 4.350 0.033 0.000 0.190 702 E C 2.123 178.683 176.600 -0.066 0.000 0.979 702 E CA 0.825 57.123 56.400 -0.170 0.000 0.807 702 E CB -0.463 28.984 29.700 -0.422 0.000 0.761 702 E HN 0.627 nan 8.360 nan 0.000 0.454 703 I N 1.205 121.715 120.570 -0.100 0.000 2.454 703 I HA -0.226 3.964 4.170 0.033 0.000 0.254 703 I C 2.211 178.309 176.117 -0.031 0.000 1.156 703 I CA 1.030 62.292 61.300 -0.064 0.000 1.433 703 I CB -0.176 37.763 38.000 -0.101 0.000 1.082 703 I HN -0.026 nan 8.210 nan 0.000 0.432 704 A N 0.238 123.048 122.820 -0.016 0.000 2.123 704 A HA -0.091 4.249 4.320 0.033 0.000 0.214 704 A C 1.960 179.575 177.584 0.051 0.000 1.152 704 A CA 0.923 52.978 52.037 0.031 0.000 0.728 704 A CB -0.147 18.878 19.000 0.042 0.000 0.814 704 A HN 0.634 nan 8.150 nan 0.000 0.464 705 Q N -2.186 117.639 119.800 0.041 0.000 2.081 705 Q HA 0.283 4.643 4.340 0.033 0.000 0.220 705 Q C 0.069 176.112 176.000 0.071 0.000 0.775 705 Q CA 0.284 56.123 55.803 0.060 0.000 0.983 705 Q CB 0.069 28.840 28.738 0.056 0.000 1.188 705 Q HN 0.239 nan 8.270 nan 0.000 0.458 706 S N 0.876 116.618 115.700 0.070 0.000 2.474 706 S HA 0.356 4.846 4.470 0.033 0.000 0.320 706 S C 0.570 175.220 174.600 0.084 0.000 1.067 706 S CA -0.577 57.690 58.200 0.112 0.000 1.127 706 S CB 0.690 63.986 63.200 0.161 0.000 0.971 706 S HN 0.339 nan 8.310 nan 0.000 0.472 707 R N 2.331 122.876 120.500 0.076 0.000 2.115 707 R HA -0.078 4.282 4.340 0.033 0.000 0.230 707 R C 1.155 177.373 176.300 -0.136 0.000 1.111 707 R CA 1.620 57.743 56.100 0.038 0.000 0.976 707 R CB -0.338 30.066 30.300 0.174 0.000 0.870 707 R HN 0.733 nan 8.270 nan 0.000 0.445 708 H N -1.740 117.053 119.070 -0.462 0.000 2.457 708 H HA -0.096 4.480 4.556 0.034 0.000 0.294 708 H C 0.621 175.495 175.328 -0.757 0.000 1.064 708 H CA 1.322 56.869 56.048 -0.834 0.000 1.330 708 H CB 0.089 29.287 29.762 -0.940 0.000 1.395 708 H HN 0.281 nan 8.280 nan 0.000 0.541 709 Y N -0.325 119.955 120.300 -0.034 0.000 2.540 709 Y HA 0.020 4.590 4.550 0.033 0.000 0.257 709 Y C 2.014 177.878 175.900 -0.061 0.000 1.090 709 Y CA -0.297 57.755 58.100 -0.081 0.000 1.242 709 Y CB 0.449 38.886 38.460 -0.038 0.000 1.325 709 Y HN 0.172 nan 8.280 nan 0.000 0.544 710 Q N 0.711 120.528 119.800 0.029 0.000 2.173 710 Q HA -0.300 4.060 4.340 0.033 0.000 0.208 710 Q C 1.223 177.013 176.000 -0.350 0.000 0.989 710 Q CA 2.219 57.941 55.803 -0.134 0.000 0.872 710 Q CB -0.417 28.147 28.738 -0.290 0.000 0.909 710 Q HN 0.561 nan 8.270 nan 0.000 0.420 711 Q N 0.642 120.197 119.800 -0.409 0.000 2.020 711 Q HA -0.160 4.200 4.340 0.033 0.000 0.202 711 Q C 2.310 178.124 176.000 -0.310 0.000 0.982 711 Q CA 1.687 57.250 55.803 -0.400 0.000 0.838 711 Q CB -0.220 28.359 28.738 -0.264 0.000 0.899 711 Q HN 0.423 nan 8.270 nan 0.000 0.423 712 R N 0.284 120.568 120.500 -0.359 0.000 2.083 712 R HA -0.166 4.194 4.340 0.033 0.000 0.237 712 R C 2.056 178.206 176.300 -0.251 0.000 1.137 712 R CA 1.590 57.438 56.100 -0.421 0.000 0.951 712 R CB -0.302 29.773 30.300 -0.376 0.000 0.851 712 R HN 0.216 nan 8.270 nan 0.000 0.434 713 F N 0.551 120.439 119.950 -0.103 0.000 2.134 713 F HA -0.141 4.406 4.527 0.033 0.000 0.299 713 F C 2.661 178.389 175.800 -0.121 0.000 1.097 713 F CA 0.720 58.659 58.000 -0.101 0.000 1.264 713 F CB -0.297 38.639 39.000 -0.107 0.000 1.001 713 F HN 0.237 nan 8.300 nan 0.000 0.479 714 A N 0.098 122.934 122.820 0.027 0.000 1.892 714 A HA -0.191 4.149 4.320 0.033 0.000 0.218 714 A C 2.291 179.883 177.584 0.014 0.000 1.188 714 A CA 2.121 54.154 52.037 -0.006 0.000 0.631 714 A CB -1.271 17.716 19.000 -0.021 0.000 0.822 714 A HN 0.174 nan 8.150 nan 0.000 0.447 715 V N 0.221 120.130 119.914 -0.009 0.000 2.343 715 V HA -0.273 3.867 4.120 0.033 0.000 0.247 715 V C 2.397 178.507 176.094 0.028 0.000 1.051 715 V CA 2.065 64.367 62.300 0.003 0.000 1.036 715 V CB -0.682 31.121 31.823 -0.034 0.000 0.654 715 V HN 0.582 nan 8.190 nan 0.000 0.451 716 I N -0.816 119.778 120.570 0.039 0.000 2.394 716 I HA -0.212 3.978 4.170 0.033 0.000 0.251 716 I C 2.323 178.489 176.117 0.082 0.000 1.136 716 I CA 1.273 62.618 61.300 0.075 0.000 1.425 716 I CB -0.227 37.838 38.000 0.108 0.000 1.079 716 I HN 0.284 nan 8.210 nan 0.000 0.425 717 L N 0.814 122.064 121.223 0.045 0.000 2.072 717 L HA -0.185 4.175 4.340 0.033 0.000 0.205 717 L C 2.567 179.475 176.870 0.063 0.000 1.079 717 L CA 1.536 56.384 54.840 0.013 0.000 0.752 717 L CB -0.289 41.693 42.059 -0.128 0.000 0.906 717 L HN 0.343 nan 8.230 nan 0.000 0.436 718 E N 0.287 120.507 120.200 0.033 0.000 2.023 718 E HA -0.291 4.079 4.350 0.033 0.000 0.196 718 E C 2.069 178.702 176.600 0.055 0.000 1.003 718 E CA 1.568 57.985 56.400 0.027 0.000 0.809 718 E CB -0.131 29.580 29.700 0.020 0.000 0.755 718 E HN 0.505 nan 8.360 nan 0.000 0.449 719 A N 0.310 123.171 122.820 0.068 0.000 1.971 719 A HA -0.262 4.078 4.320 0.033 0.000 0.222 719 A C 2.114 179.755 177.584 0.094 0.000 1.182 719 A CA 1.965 54.047 52.037 0.075 0.000 0.649 719 A CB -1.115 17.932 19.000 0.077 0.000 0.818 719 A HN 0.691 nan 8.150 nan 0.000 0.458 720 Y N 0.101 120.417 120.300 0.026 0.000 2.184 720 Y HA -0.053 4.517 4.550 0.034 0.000 0.290 720 Y C 1.953 177.893 175.900 0.068 0.000 1.129 720 Y CA 1.625 59.749 58.100 0.040 0.000 1.144 720 Y CB -0.386 38.088 38.460 0.024 0.000 0.995 720 Y HN 0.193 nan 8.280 nan 0.000 0.513 721 L N 0.267 121.447 121.223 -0.072 0.000 2.079 721 L HA -0.248 4.112 4.340 0.033 0.000 0.210 721 L C 2.222 179.046 176.870 -0.077 0.000 1.081 721 L CA 1.548 56.322 54.840 -0.110 0.000 0.752 721 L CB -0.492 41.576 42.059 0.014 0.000 0.896 721 L HN 0.144 nan 8.230 nan 0.000 0.433 722 R N -0.263 120.232 120.500 -0.008 0.000 2.369 722 R HA -0.026 4.335 4.340 0.033 0.000 0.200 722 R C 1.276 177.582 176.300 0.011 0.000 1.046 722 R CA 0.605 56.757 56.100 0.086 0.000 1.057 722 R CB -0.112 30.255 30.300 0.112 0.000 0.888 722 R HN 0.415 nan 8.270 nan 0.000 0.474 723 G N -1.197 107.542 108.800 -0.102 0.000 3.873 723 G HA2 -0.094 3.886 3.960 0.033 0.000 0.232 723 G HA3 -0.094 3.886 3.960 0.033 0.000 0.232 723 G C 1.034 175.837 174.900 -0.163 0.000 1.097 723 G CA -0.076 44.956 45.100 -0.113 0.000 0.889 723 G HN 0.413 nan 8.290 nan 0.000 0.532 724 C N -0.230 118.912 119.300 -0.264 0.000 2.446 724 C HA 0.574 5.054 4.460 0.033 0.000 0.279 724 C C 1.476 176.514 174.990 0.081 0.000 1.366 724 C CA 0.336 59.259 59.018 -0.158 0.000 1.763 724 C CB -0.929 26.591 27.740 -0.366 0.000 1.929 724 C HN 1.491 nan 8.230 nan 0.000 0.509 725 G N -0.208 108.615 108.800 0.037 0.000 2.525 725 G HA2 0.189 4.169 3.960 0.033 0.000 0.685 725 G HA3 0.189 4.169 3.960 0.033 0.000 0.685 725 G C 0.239 175.176 174.900 0.062 0.000 1.285 725 G CA 0.303 45.447 45.100 0.073 0.000 0.849 725 G HN 0.893 nan 8.290 nan 0.000 0.653 726 T N -1.293 113.296 114.554 0.059 0.000 2.833 726 T HA 0.172 4.542 4.350 0.033 0.000 0.269 726 T C 2.633 177.366 174.700 0.056 0.000 1.054 726 T CA 2.410 64.550 62.100 0.067 0.000 1.135 726 T CB -0.288 68.606 68.868 0.043 0.000 0.869 726 T HN 2.017 nan 8.240 nan 0.000 0.466 727 A N 2.482 125.318 122.820 0.026 0.000 1.851 727 A HA 0.020 4.360 4.320 0.033 0.000 0.216 727 A C 2.594 180.156 177.584 -0.037 0.000 1.195 727 A CA 1.928 53.971 52.037 0.010 0.000 0.622 727 A CB -0.852 18.135 19.000 -0.022 0.000 0.831 727 A HN 0.496 nan 8.150 nan 0.000 0.444 728 M N -0.751 118.775 119.600 -0.124 0.000 2.159 728 M HA -0.100 4.400 4.480 0.033 0.000 0.263 728 M C 2.210 178.304 176.300 -0.345 0.000 1.063 728 M CA 1.205 56.290 55.300 -0.359 0.000 1.110 728 M CB -0.754 31.697 32.600 -0.249 0.000 1.374 728 M HN 0.397 nan 8.290 nan 0.000 0.411 729 L N -0.835 120.375 121.223 -0.021 0.000 2.083 729 L HA -0.254 4.106 4.340 0.033 0.000 0.209 729 L C 2.646 179.550 176.870 0.056 0.000 1.083 729 L CA 1.444 56.346 54.840 0.103 0.000 0.752 729 L CB -0.793 41.343 42.059 0.129 0.000 0.899 729 L HN 0.363 nan 8.230 nan 0.000 0.433 730 H N 0.209 119.246 119.070 -0.055 0.000 2.293 730 H HA -0.194 4.382 4.556 0.033 0.000 0.300 730 H C 1.826 177.102 175.328 -0.087 0.000 1.082 730 H CA 2.098 58.117 56.048 -0.048 0.000 1.308 730 H CB -0.147 29.586 29.762 -0.048 0.000 1.375 730 H HN 0.187 nan 8.280 nan 0.000 0.495 731 D N -0.063 120.081 120.400 -0.426 0.000 2.133 731 D HA -0.185 4.475 4.640 0.033 0.000 0.195 731 D C 2.230 178.314 176.300 -0.360 0.000 0.997 731 D CA 1.419 55.124 54.000 -0.492 0.000 0.840 731 D CB -0.646 39.843 40.800 -0.518 0.000 0.947 731 D HN 0.459 nan 8.370 nan 0.000 0.452 732 F N 0.786 120.570 119.950 -0.276 0.000 2.186 732 F HA -0.150 4.397 4.527 0.033 0.000 0.299 732 F C 2.633 178.304 175.800 -0.215 0.000 1.090 732 F CA 0.912 58.673 58.000 -0.398 0.000 1.307 732 F CB -0.376 38.200 39.000 -0.706 0.000 1.019 732 F HN -0.090 nan 8.300 nan 0.000 0.489 733 T N -0.521 114.037 114.554 0.006 0.000 2.746 733 T HA -0.197 4.173 4.350 0.033 0.000 0.267 733 T C 1.942 176.630 174.700 -0.019 0.000 1.039 733 T CA 1.160 63.263 62.100 0.005 0.000 1.142 733 T CB -0.256 68.619 68.868 0.012 0.000 0.866 733 T HN 0.219 nan 8.240 nan 0.000 0.444 734 Q N 1.157 120.896 119.800 -0.101 0.000 2.020 734 Q HA -0.117 4.243 4.340 0.033 0.000 0.202 734 Q C 2.528 178.526 176.000 -0.002 0.000 0.982 734 Q CA 1.455 57.215 55.803 -0.072 0.000 0.838 734 Q CB -0.426 28.228 28.738 -0.139 0.000 0.899 734 Q HN 0.663 nan 8.270 nan 0.000 0.423 735 Q N -0.024 119.823 119.800 0.078 0.000 2.096 735 Q HA -0.129 4.231 4.340 0.033 0.000 0.204 735 Q C 2.271 178.405 176.000 0.223 0.000 0.982 735 Q CA 1.581 57.508 55.803 0.206 0.000 0.850 735 Q CB -0.128 28.875 28.738 0.442 0.000 0.901 735 Q HN 0.165 nan 8.270 nan 0.000 0.422 736 V N 1.058 121.099 119.914 0.211 0.000 2.358 736 V HA -0.258 3.882 4.120 0.033 0.000 0.246 736 V C 2.126 178.281 176.094 0.102 0.000 1.047 736 V CA 1.803 64.227 62.300 0.206 0.000 1.035 736 V CB -0.564 31.343 31.823 0.141 0.000 0.658 736 V HN 0.373 nan 8.190 nan 0.000 0.452 737 Q N -0.454 119.368 119.800 0.038 0.000 2.084 737 Q HA -0.157 4.203 4.340 0.033 0.000 0.202 737 Q C 2.375 178.343 176.000 -0.053 0.000 0.978 737 Q CA 1.733 57.534 55.803 -0.002 0.000 0.844 737 Q CB -0.369 28.362 28.738 -0.011 0.000 0.898 737 Q HN 0.529 nan 8.270 nan 0.000 0.426 738 V N 1.992 121.827 119.914 -0.131 0.000 2.237 738 V HA -0.268 3.872 4.120 0.033 0.000 0.245 738 V C 2.336 178.313 176.094 -0.195 0.000 1.046 738 V CA 2.107 64.236 62.300 -0.284 0.000 1.007 738 V CB -0.707 30.659 31.823 -0.762 0.000 0.638 738 V HN 0.507 nan 8.190 nan 0.000 0.445 739 I N -1.273 119.262 120.570 -0.058 0.000 2.493 739 I HA -0.183 4.007 4.170 0.033 0.000 0.254 739 I C 2.217 178.377 176.117 0.072 0.000 1.160 739 I CA 1.955 63.334 61.300 0.130 0.000 1.445 739 I CB -0.480 37.729 38.000 0.349 0.000 1.086 739 I HN 0.316 nan 8.210 nan 0.000 0.433 740 E N 0.962 121.195 120.200 0.055 0.000 2.208 740 E HA -0.095 4.275 4.350 0.033 0.000 0.193 740 E C 2.189 178.772 176.600 -0.028 0.000 0.988 740 E CA 1.018 57.444 56.400 0.043 0.000 0.828 740 E CB -0.007 29.725 29.700 0.053 0.000 0.763 740 E HN 0.576 nan 8.360 nan 0.000 0.478 741 M N -0.335 119.220 119.600 -0.076 0.000 2.216 741 M HA -0.042 4.458 4.480 0.033 0.000 0.264 741 M C 2.060 178.258 176.300 -0.169 0.000 1.080 741 M CA 0.937 56.179 55.300 -0.097 0.000 1.153 741 M CB -0.017 32.529 32.600 -0.090 0.000 1.356 741 M HN 0.133 nan 8.290 nan 0.000 0.432 742 L N -0.058 120.985 121.223 -0.299 0.000 2.131 742 L HA -0.212 4.148 4.340 0.033 0.000 0.210 742 L C 2.491 179.038 176.870 -0.539 0.000 1.092 742 L CA 1.228 55.741 54.840 -0.545 0.000 0.759 742 L CB -0.740 40.698 42.059 -1.036 0.000 0.903 742 L HN 0.422 nan 8.230 nan 0.000 0.435 743 Q N 0.148 119.748 119.800 -0.334 0.000 2.084 743 Q HA -0.208 4.152 4.340 0.033 0.000 0.202 743 Q C 2.222 178.191 176.000 -0.053 0.000 0.978 743 Q CA 1.371 57.126 55.803 -0.080 0.000 0.844 743 Q CB -0.026 28.760 28.738 0.080 0.000 0.898 743 Q HN 0.484 nan 8.270 nan 0.000 0.426 744 K N 0.042 120.403 120.400 -0.065 0.000 2.026 744 K HA -0.135 4.205 4.320 0.033 0.000 0.208 744 K C 2.156 178.723 176.600 -0.054 0.000 1.048 744 K CA 1.478 57.738 56.287 -0.045 0.000 0.929 744 K CB -0.186 32.290 32.500 -0.041 0.000 0.713 744 K HN 0.020 nan 8.250 nan 0.000 0.439 745 V N 1.424 121.289 119.914 -0.081 0.000 2.255 745 V HA -0.283 3.857 4.120 0.033 0.000 0.247 745 V C 2.229 178.298 176.094 -0.043 0.000 1.051 745 V CA 2.284 64.545 62.300 -0.065 0.000 1.018 745 V CB -0.891 30.880 31.823 -0.087 0.000 0.641 745 V HN 0.411 nan 8.190 nan 0.000 0.445 746 T N 0.679 115.202 114.554 -0.052 0.000 2.620 746 T HA -0.259 4.111 4.350 0.033 0.000 0.267 746 T C 1.850 176.561 174.700 0.018 0.000 1.044 746 T CA 2.107 64.219 62.100 0.020 0.000 1.161 746 T CB -0.419 68.500 68.868 0.085 0.000 0.862 746 T HN 0.307 nan 8.240 nan 0.000 0.438 747 L N 0.605 121.816 121.223 -0.019 0.000 2.027 747 L HA -0.102 4.258 4.340 0.033 0.000 0.206 747 L C 2.564 179.399 176.870 -0.059 0.000 1.074 747 L CA 1.225 56.018 54.840 -0.078 0.000 0.745 747 L CB -0.601 41.397 42.059 -0.102 0.000 0.898 747 L HN 0.173 nan 8.230 nan 0.000 0.433 748 D N 0.158 120.536 120.400 -0.037 0.000 2.117 748 D HA -0.176 4.484 4.640 0.033 0.000 0.197 748 D C 2.201 178.494 176.300 -0.012 0.000 0.987 748 D CA 1.058 55.043 54.000 -0.025 0.000 0.829 748 D CB -0.030 40.758 40.800 -0.021 0.000 0.961 748 D HN 0.138 nan 8.370 nan 0.000 0.460 749 I N 0.802 121.370 120.570 -0.003 0.000 2.394 749 I HA -0.205 3.985 4.170 0.033 0.000 0.251 749 I C 2.140 178.270 176.117 0.021 0.000 1.136 749 I CA 0.920 62.227 61.300 0.013 0.000 1.425 749 I CB -0.416 37.599 38.000 0.025 0.000 1.079 749 I HN -0.081 nan 8.210 nan 0.000 0.425 750 K N 0.924 121.335 120.400 0.018 0.000 2.103 750 K HA -0.112 4.229 4.320 0.033 0.000 0.207 750 K C 2.196 178.808 176.600 0.019 0.000 1.048 750 K CA 1.581 57.885 56.287 0.029 0.000 0.930 750 K CB -0.222 32.284 32.500 0.009 0.000 0.716 750 K HN 0.112 nan 8.250 nan 0.000 0.444 751 S N 0.330 116.029 115.700 -0.002 0.000 2.368 751 S HA -0.006 4.484 4.470 0.033 0.000 0.224 751 S C 1.364 175.970 174.600 0.011 0.000 1.029 751 S CA 1.091 59.292 58.200 0.001 0.000 0.988 751 S CB -0.188 63.005 63.200 -0.010 0.000 0.838 751 S HN 0.288 nan 8.310 nan 0.000 0.462 752 L N 1.128 122.357 121.223 0.011 0.000 2.675 752 L HA 0.148 4.508 4.340 0.033 0.000 0.239 752 L C 0.468 177.351 176.870 0.021 0.000 1.151 752 L CA -0.040 54.807 54.840 0.013 0.000 0.905 752 L CB -0.451 41.614 42.059 0.010 0.000 1.057 752 L HN 0.137 nan 8.230 nan 0.000 0.435 753 S N -1.054 114.664 115.700 0.029 0.000 2.998 753 S HA 0.738 5.228 4.470 0.033 0.000 0.321 753 S C 0.144 174.773 174.600 0.049 0.000 1.171 753 S CA -0.176 58.049 58.200 0.041 0.000 0.882 753 S CB 1.617 64.848 63.200 0.051 0.000 1.301 753 S HN 0.088 nan 8.310 nan 0.000 0.629 754 A N 0.599 123.458 122.820 0.066 0.000 2.734 754 A HA -0.113 4.227 4.320 0.033 0.000 0.294 754 A C 0.403 178.025 177.584 0.063 0.000 1.455 754 A CA 1.315 53.396 52.037 0.074 0.000 0.730 754 A CB -1.924 17.118 19.000 0.070 0.000 1.077 754 A HN 0.745 nan 8.150 nan 0.000 0.448 755 E N 0.214 120.453 120.200 0.064 0.000 2.541 755 E HA 0.379 4.749 4.350 0.033 0.000 0.219 755 E C 0.125 176.747 176.600 0.036 0.000 0.922 755 E CA 1.051 57.475 56.400 0.040 0.000 1.095 755 E CB 0.211 29.926 29.700 0.025 0.000 1.112 755 E HN 0.778 nan 8.360 nan 0.000 0.516 756 K N 0.086 120.536 120.400 0.082 0.000 4.260 756 K HA -0.096 4.244 4.320 0.033 0.000 0.975 756 K C -1.037 175.609 176.600 0.076 0.000 1.500 756 K CA 0.302 56.644 56.287 0.092 0.000 1.221 756 K CB -1.264 31.188 32.500 -0.081 0.000 3.284 756 K HN 0.251 nan 8.250 nan 0.000 0.185 757 Y N 1.196 121.497 120.300 0.003 0.000 2.960 757 Y HA -0.017 4.553 4.550 0.034 0.000 0.345 757 Y C 0.822 176.718 175.900 -0.006 0.000 1.277 757 Y CA 0.232 58.331 58.100 -0.001 0.000 1.508 757 Y CB 0.287 38.744 38.460 -0.004 0.000 1.317 757 Y HN 0.758 nan 8.280 nan 0.000 0.639 758 D N -1.403 119.063 120.400 0.109 0.000 1.730 758 D HA -0.134 4.526 4.640 0.033 0.000 0.835 758 D C -0.882 175.440 176.300 0.037 0.000 0.331 758 D CA 0.923 54.938 54.000 0.026 0.000 1.259 758 D CB -0.059 40.731 40.800 -0.018 0.000 1.581 758 D HN 0.460 nan 8.370 nan 0.000 0.348 759 V N 1.915 121.856 119.914 0.044 0.000 3.865 759 V HA -0.190 3.950 4.120 0.033 0.000 0.463 759 V C 0.683 176.786 176.094 0.015 0.000 0.682 759 V CA 0.750 63.071 62.300 0.035 0.000 1.913 759 V CB -1.654 30.191 31.823 0.035 0.000 2.326 759 V HN 0.533 nan 8.190 nan 0.000 0.496 760 S N 3.346 119.052 115.700 0.011 0.000 2.598 760 S HA 0.391 4.881 4.470 0.033 0.000 0.256 760 S C 1.555 176.155 174.600 0.001 0.000 1.350 760 S CA 0.371 58.572 58.200 0.001 0.000 0.984 760 S CB 1.597 64.797 63.200 -0.000 0.000 0.930 760 S HN 2.062 nan 8.310 nan 0.000 0.577 761 S N 0.102 115.800 115.700 -0.004 0.000 2.446 761 S HA -0.088 4.402 4.470 0.033 0.000 0.225 761 S C 1.900 176.499 174.600 -0.002 0.000 1.016 761 S CA 0.759 58.957 58.200 -0.004 0.000 0.943 761 S CB -0.762 62.434 63.200 -0.007 0.000 0.786 761 S HN 0.848 nan 8.310 nan 0.000 0.508 762 Q N 0.922 120.722 119.800 -0.001 0.000 2.002 762 Q HA -0.105 4.255 4.340 0.033 0.000 0.204 762 Q C 2.151 178.153 176.000 0.003 0.000 0.988 762 Q CA 2.065 57.868 55.803 0.000 0.000 0.843 762 Q CB -0.562 28.176 28.738 -0.001 0.000 0.908 762 Q HN 0.412 nan 8.270 nan 0.000 0.420 763 V N 0.608 120.526 119.914 0.007 0.000 2.392 763 V HA -0.253 3.887 4.120 0.033 0.000 0.249 763 V C 2.100 178.203 176.094 0.013 0.000 1.059 763 V CA 1.844 64.151 62.300 0.012 0.000 1.051 763 V CB -0.291 31.543 31.823 0.019 0.000 0.658 763 V HN 0.440 nan 8.190 nan 0.000 0.455 764 I N -0.853 119.723 120.570 0.010 0.000 2.500 764 I HA -0.126 4.064 4.170 0.033 0.000 0.252 764 I C 2.604 178.725 176.117 0.006 0.000 1.142 764 I CA 1.470 62.776 61.300 0.010 0.000 1.451 764 I CB -0.279 37.723 38.000 0.003 0.000 1.093 764 I HN 0.327 nan 8.210 nan 0.000 0.430 765 S N 0.231 115.932 115.700 0.003 0.000 2.383 765 S HA -0.172 4.318 4.470 0.033 0.000 0.227 765 S C 2.044 176.645 174.600 0.002 0.000 1.026 765 S CA 1.141 59.342 58.200 0.001 0.000 0.981 765 S CB -0.027 63.173 63.200 -0.000 0.000 0.818 765 S HN 0.339 nan 8.310 nan 0.000 0.472 766 Q N 0.900 120.702 119.800 0.003 0.000 2.124 766 Q HA -0.007 4.353 4.340 0.033 0.000 0.202 766 Q C 2.200 178.201 176.000 0.003 0.000 0.977 766 Q CA 0.904 56.708 55.803 0.003 0.000 0.850 766 Q CB -0.717 28.023 28.738 0.004 0.000 0.901 766 Q HN 0.528 nan 8.270 nan 0.000 0.429 767 L N 0.797 122.024 121.223 0.007 0.000 1.988 767 L HA -0.193 4.167 4.340 0.033 0.000 0.207 767 L C 2.162 179.033 176.870 0.002 0.000 1.071 767 L CA 1.447 56.292 54.840 0.008 0.000 0.744 767 L CB -0.191 41.881 42.059 0.021 0.000 0.893 767 L HN 0.199 nan 8.230 nan 0.000 0.433 768 K N -0.477 119.925 120.400 0.003 0.000 2.160 768 K HA -0.250 4.090 4.320 0.033 0.000 0.206 768 K C 1.972 178.570 176.600 -0.004 0.000 1.047 768 K CA 1.617 57.903 56.287 -0.001 0.000 0.930 768 K CB -0.191 32.309 32.500 0.000 0.000 0.720 768 K HN 0.554 nan 8.250 nan 0.000 0.450 769 Q N 0.866 120.665 119.800 -0.003 0.000 2.046 769 Q HA -0.114 4.246 4.340 0.033 0.000 0.200 769 Q C 1.998 177.995 176.000 -0.006 0.000 0.975 769 Q CA 1.289 57.090 55.803 -0.003 0.000 0.836 769 Q CB -0.038 28.698 28.738 -0.003 0.000 0.896 769 Q HN 0.282 nan 8.270 nan 0.000 0.428 770 K N 0.582 120.977 120.400 -0.008 0.000 2.097 770 K HA -0.107 4.233 4.320 0.033 0.000 0.206 770 K C 2.095 178.685 176.600 -0.016 0.000 1.049 770 K CA 0.956 57.235 56.287 -0.012 0.000 0.933 770 K CB -0.106 32.385 32.500 -0.015 0.000 0.717 770 K HN 0.187 nan 8.250 nan 0.000 0.442 771 L N 1.086 122.299 121.223 -0.017 0.000 2.093 771 L HA -0.142 4.218 4.340 0.033 0.000 0.208 771 L C 2.390 179.252 176.870 -0.013 0.000 1.085 771 L CA 0.884 55.711 54.840 -0.021 0.000 0.755 771 L CB -0.363 41.679 42.059 -0.028 0.000 0.904 771 L HN 0.171 nan 8.230 nan 0.000 0.435 772 E N 0.523 120.718 120.200 -0.009 0.000 2.097 772 E HA -0.237 4.133 4.350 0.033 0.000 0.196 772 E C 1.814 178.414 176.600 -0.000 0.000 1.000 772 E CA 1.402 57.801 56.400 -0.003 0.000 0.804 772 E CB -0.484 29.215 29.700 -0.002 0.000 0.740 772 E HN 0.623 nan 8.360 nan 0.000 0.454 773 N N 0.344 119.042 118.700 -0.003 0.000 2.069 773 N HA -0.130 4.630 4.740 0.033 0.000 0.191 773 N C 2.086 177.595 175.510 -0.001 0.000 1.031 773 N CA 0.823 53.872 53.050 -0.002 0.000 0.852 773 N CB -0.116 38.368 38.487 -0.006 0.000 1.018 773 N HN 0.080 nan 8.380 nan 0.000 0.423 774 L N 0.468 121.689 121.223 -0.004 0.000 2.156 774 L HA -0.102 4.258 4.340 0.033 0.000 0.208 774 L C 2.327 179.205 176.870 0.013 0.000 1.095 774 L CA 0.621 55.460 54.840 -0.002 0.000 0.770 774 L CB -0.313 41.738 42.059 -0.013 0.000 0.914 774 L HN 0.134 nan 8.230 nan 0.000 0.439 775 Q N 0.596 120.405 119.800 0.015 0.000 2.449 775 Q HA -0.111 4.249 4.340 0.033 0.000 0.214 775 Q C 0.301 176.319 176.000 0.031 0.000 0.986 775 Q CA 0.936 56.756 55.803 0.029 0.000 0.893 775 Q CB -0.152 28.598 28.738 0.019 0.000 0.940 775 Q HN 0.333 nan 8.270 nan 0.000 0.477 776 N N -1.423 117.290 118.700 0.022 0.000 2.404 776 N HA 0.159 4.919 4.740 0.033 0.000 0.297 776 N C -1.261 174.261 175.510 0.020 0.000 1.163 776 N CA -0.288 52.775 53.050 0.021 0.000 0.864 776 N CB 1.680 40.176 38.487 0.015 0.000 1.247 776 N HN -0.045 nan 8.380 nan 0.000 0.510 777 S N 0.808 116.521 115.700 0.022 0.000 3.388 777 S HA -0.203 4.287 4.470 0.033 0.000 0.134 777 S C 0.449 175.060 174.600 0.017 0.000 0.306 777 S CA 1.310 59.523 58.200 0.021 0.000 1.409 777 S CB -0.719 62.491 63.200 0.018 0.000 0.732 777 S HN 0.593 nan 8.310 nan 0.000 0.223 778 Q N -0.280 119.530 119.800 0.017 0.000 2.305 778 Q HA 0.230 4.590 4.340 0.033 0.000 0.176 778 Q C -0.124 175.880 176.000 0.007 0.000 0.708 778 Q CA -0.316 55.492 55.803 0.009 0.000 0.888 778 Q CB 0.175 28.915 28.738 0.002 0.000 1.240 778 Q HN 0.574 nan 8.270 nan 0.000 0.392 779 L N 4.511 125.743 121.223 0.015 0.000 2.295 779 L HA 0.388 4.748 4.340 0.033 0.000 0.288 779 L C -2.369 174.530 176.870 0.048 0.000 1.079 779 L CA -1.721 53.130 54.840 0.018 0.000 0.830 779 L CB 0.764 42.847 42.059 0.041 0.000 1.200 779 L HN -0.101 nan 8.230 nan 0.000 0.438 780 P HA -0.083 nan 4.420 nan 0.000 0.268 780 P C 0.407 177.775 177.300 0.114 0.000 1.189 780 P CA -0.026 63.116 63.100 0.071 0.000 0.771 780 P CB 0.538 32.274 31.700 0.059 0.000 0.822 781 E N 0.298 120.559 120.200 0.102 0.000 2.086 781 E HA -0.142 4.228 4.350 0.033 0.000 0.200 781 E C 0.891 177.571 176.600 0.135 0.000 1.012 781 E CA 1.819 58.281 56.400 0.103 0.000 0.812 781 E CB -0.304 29.441 29.700 0.075 0.000 0.743 781 E HN 0.669 nan 8.360 nan 0.000 0.453 782 S N -1.380 114.403 115.700 0.138 0.000 2.776 782 S HA 0.696 5.186 4.470 0.033 0.000 0.292 782 S C -0.770 173.969 174.600 0.232 0.000 1.187 782 S CA -0.897 57.384 58.200 0.135 0.000 0.834 782 S CB 1.968 65.166 63.200 -0.003 0.000 1.199 782 S HN 0.183 nan 8.310 nan 0.000 0.514 783 F N -2.126 117.751 119.950 -0.122 0.000 2.746 783 F HA 0.641 5.188 4.527 0.033 0.000 0.311 783 F C -1.199 174.481 175.800 -0.201 0.000 1.135 783 F CA -1.222 56.684 58.000 -0.156 0.000 0.954 783 F CB 0.840 39.760 39.000 -0.134 0.000 1.276 783 F HN 0.696 nan 8.300 nan 0.000 0.440 784 R N 1.545 121.942 120.500 -0.172 0.000 2.438 784 R HA 0.579 4.939 4.340 0.033 0.000 0.287 784 R C -0.954 175.155 176.300 -0.318 0.000 1.077 784 R CA -0.946 54.966 56.100 -0.312 0.000 1.034 784 R CB 1.546 31.689 30.300 -0.261 0.000 0.993 784 R HN 0.581 nan 8.270 nan 0.000 0.459 785 V N 6.454 126.062 119.914 -0.509 0.000 2.421 785 V HA 0.017 4.157 4.120 0.033 0.000 0.271 785 V C -1.431 174.330 176.094 -0.555 0.000 1.031 785 V CA -1.075 60.870 62.300 -0.592 0.000 1.032 785 V CB 0.986 32.372 31.823 -0.727 0.000 1.009 785 V HN 0.661 nan 8.190 nan 0.000 0.477 786 P HA -0.217 nan 4.420 nan 0.000 0.218 786 P C 1.036 178.146 177.300 -0.317 0.000 1.154 786 P CA 1.865 64.661 63.100 -0.507 0.000 0.872 786 P CB -0.043 31.084 31.700 -0.955 0.000 0.790 787 Y N -3.056 117.177 120.300 -0.112 0.000 2.457 787 Y HA 0.452 5.022 4.550 0.033 0.000 0.263 787 Y C 0.014 176.006 175.900 0.153 0.000 1.164 787 Y CA -0.663 57.506 58.100 0.115 0.000 1.274 787 Y CB -0.559 37.949 38.460 0.081 0.000 1.097 787 Y HN -0.177 nan 8.280 nan 0.000 0.523 788 D N 1.421 121.739 120.400 -0.138 0.000 2.823 788 D HA 0.189 4.849 4.640 0.033 0.000 0.255 788 D C -2.199 173.915 176.300 -0.310 0.000 1.257 788 D CA -2.068 51.895 54.000 -0.061 0.000 0.803 788 D CB 1.024 41.847 40.800 0.037 0.000 1.384 788 D HN -0.046 nan 8.370 nan 0.000 0.541 789 P HA -0.103 nan 4.420 nan 0.000 0.220 789 P C 1.380 178.419 177.300 -0.435 0.000 1.144 789 P CA 0.896 63.571 63.100 -0.709 0.000 0.800 789 P CB 0.255 31.233 31.700 -1.203 0.000 0.772 790 G N -0.501 108.133 108.800 -0.277 0.000 2.534 790 G HA2 -0.021 3.959 3.960 0.033 0.000 0.217 790 G HA3 -0.021 3.959 3.960 0.033 0.000 0.217 790 G C 0.722 175.476 174.900 -0.243 0.000 1.128 790 G CA -0.060 44.915 45.100 -0.208 0.000 0.784 790 G HN 0.245 nan 8.290 nan 0.000 0.542 791 L N 1.013 122.080 121.223 -0.261 0.000 2.282 791 L HA 0.378 4.738 4.340 0.033 0.000 0.288 791 L C -0.404 176.262 176.870 -0.339 0.000 1.033 791 L CA -0.499 54.181 54.840 -0.267 0.000 0.807 791 L CB 1.663 43.583 42.059 -0.231 0.000 1.209 791 L HN 0.010 nan 8.230 nan 0.000 0.423 792 K N 3.552 123.766 120.400 -0.309 0.000 2.265 792 K HA 0.605 4.945 4.320 0.033 0.000 0.267 792 K C -0.547 175.815 176.600 -0.398 0.000 0.994 792 K CA -0.471 55.601 56.287 -0.357 0.000 0.860 792 K CB 2.066 34.419 32.500 -0.246 0.000 1.099 792 K HN 0.590 nan 8.250 nan 0.000 0.448 793 A N 2.454 124.874 122.820 -0.667 0.000 2.305 793 A HA 0.662 5.002 4.320 0.033 0.000 0.322 793 A C 0.380 177.748 177.584 -0.360 0.000 1.187 793 A CA -0.337 51.319 52.037 -0.636 0.000 0.825 793 A CB 1.134 19.392 19.000 -1.237 0.000 1.164 793 A HN 0.845 nan 8.150 nan 0.000 0.498 794 G N 0.513 109.279 108.800 -0.056 0.000 3.365 794 G HA2 0.550 4.530 3.960 0.033 0.000 0.185 794 G HA3 0.550 4.530 3.960 0.033 0.000 0.185 794 G C 0.529 175.584 174.900 0.260 0.000 1.565 794 G CA 0.226 45.375 45.100 0.083 0.000 0.984 794 G HN 1.395 nan 8.290 nan 0.000 0.604 795 A N -0.671 122.272 122.820 0.204 0.000 2.371 795 A HA 0.589 4.929 4.320 0.033 0.000 0.257 795 A C 0.080 177.785 177.584 0.200 0.000 1.089 795 A CA -0.370 51.790 52.037 0.206 0.000 0.794 795 A CB 0.108 19.176 19.000 0.113 0.000 1.029 795 A HN 0.461 nan 8.150 nan 0.000 0.488 796 L N 1.346 122.637 121.223 0.113 0.000 2.453 796 L HA 0.255 4.615 4.340 0.033 0.000 0.272 796 L C 1.023 177.837 176.870 -0.092 0.000 1.182 796 L CA 0.016 54.762 54.840 -0.158 0.000 0.858 796 L CB 0.978 42.912 42.059 -0.209 0.000 1.120 796 L HN 0.780 nan 8.230 nan 0.000 0.474 797 A N 5.255 128.001 122.820 -0.124 0.000 3.078 797 A HA 0.309 4.649 4.320 0.033 0.000 0.279 797 A C 1.254 178.811 177.584 -0.045 0.000 1.594 797 A CA -0.380 51.634 52.037 -0.039 0.000 1.301 797 A CB -0.574 18.426 19.000 0.000 0.000 1.162 797 A HN 0.849 nan 8.150 nan 0.000 0.585 798 I N 0.461 121.004 120.570 -0.045 0.000 2.300 798 I HA -0.373 3.817 4.170 0.033 0.000 0.252 798 I C 2.349 178.463 176.117 -0.005 0.000 1.119 798 I CA 2.132 63.413 61.300 -0.032 0.000 1.384 798 I CB -0.213 37.774 38.000 -0.021 0.000 1.062 798 I HN 0.790 nan 8.210 nan 0.000 0.426 799 E N 1.295 121.497 120.200 0.003 0.000 2.274 799 E HA -0.174 4.196 4.350 0.033 0.000 0.194 799 E C 1.725 178.339 176.600 0.023 0.000 0.996 799 E CA 0.865 57.271 56.400 0.011 0.000 0.840 799 E CB -0.175 29.532 29.700 0.012 0.000 0.772 799 E HN 0.472 nan 8.360 nan 0.000 0.491 800 K N 0.025 120.450 120.400 0.041 0.000 2.353 800 K HA 0.196 4.536 4.320 0.033 0.000 0.195 800 K C -0.005 176.679 176.600 0.141 0.000 1.031 800 K CA -0.225 56.112 56.287 0.084 0.000 1.079 800 K CB 0.455 33.028 32.500 0.121 0.000 0.857 800 K HN 0.081 nan 8.250 nan 0.000 0.535 801 C N 2.369 121.731 119.300 0.102 0.000 2.595 801 C HA 0.317 4.797 4.460 0.033 0.000 0.384 801 C C 0.387 175.446 174.990 0.114 0.000 1.289 801 C CA -0.420 58.687 59.018 0.148 0.000 2.372 801 C CB -0.039 27.729 27.740 0.046 0.000 2.593 801 C HN 0.536 nan 8.230 nan 0.000 0.639 802 K N -0.636 119.858 120.400 0.156 0.000 2.770 802 K HA 0.632 4.972 4.320 0.033 0.000 0.289 802 K C -2.216 174.457 176.600 0.121 0.000 1.051 802 K CA -0.804 55.532 56.287 0.081 0.000 0.814 802 K CB 0.463 32.954 32.500 -0.015 0.000 1.512 802 K HN 0.209 nan 8.250 nan 0.000 0.368 803 V N 1.880 121.838 119.914 0.072 0.000 2.417 803 V HA 0.391 4.531 4.120 0.033 0.000 0.291 803 V C -0.095 176.039 176.094 0.067 0.000 1.024 803 V CA -0.807 61.547 62.300 0.090 0.000 0.861 803 V CB 1.257 33.121 31.823 0.067 0.000 0.985 803 V HN 0.644 nan 8.190 nan 0.000 0.436 804 M N 3.340 123.001 119.600 0.102 0.000 2.243 804 M HA 0.394 4.894 4.480 0.033 0.000 0.341 804 M C 0.603 176.931 176.300 0.047 0.000 1.130 804 M CA -0.045 55.295 55.300 0.066 0.000 1.162 804 M CB 0.841 33.516 32.600 0.126 0.000 1.497 804 M HN 0.714 nan 8.290 nan 0.000 0.456 805 A N 3.024 125.857 122.820 0.021 0.000 2.922 805 A HA 0.468 4.808 4.320 0.033 0.000 0.298 805 A C -0.087 177.503 177.584 0.010 0.000 1.588 805 A CA -0.300 51.759 52.037 0.036 0.000 1.288 805 A CB -0.640 18.381 19.000 0.036 0.000 1.130 805 A HN 0.812 nan 8.150 nan 0.000 0.557 806 S N 0.576 116.279 115.700 0.004 0.000 2.651 806 S HA 0.532 5.022 4.470 0.033 0.000 0.279 806 S C 0.610 175.175 174.600 -0.057 0.000 1.148 806 S CA -0.948 57.218 58.200 -0.058 0.000 0.837 806 S CB 1.030 64.210 63.200 -0.035 0.000 1.138 806 S HN 0.245 nan 8.310 nan 0.000 0.478 807 K N 0.994 121.325 120.400 -0.115 0.000 2.015 807 K HA -0.085 4.255 4.320 0.033 0.000 0.220 807 K C 0.452 177.055 176.600 0.004 0.000 1.055 807 K CA 1.638 57.879 56.287 -0.075 0.000 0.951 807 K CB -0.642 31.806 32.500 -0.085 0.000 0.725 807 K HN 0.573 nan 8.250 nan 0.000 0.449 808 K N 1.770 122.175 120.400 0.010 0.000 2.168 808 K HA 0.113 4.453 4.320 0.033 0.000 0.258 808 K C 0.396 177.037 176.600 0.069 0.000 1.010 808 K CA -0.205 56.113 56.287 0.053 0.000 0.929 808 K CB 0.492 33.019 32.500 0.045 0.000 0.998 808 K HN -0.109 nan 8.250 nan 0.000 0.479 809 K N 2.627 123.086 120.400 0.098 0.000 2.526 809 K HA 0.252 4.592 4.320 0.033 0.000 0.214 809 K C -2.335 174.339 176.600 0.123 0.000 1.088 809 K CA -1.736 54.610 56.287 0.098 0.000 1.058 809 K CB 0.709 33.263 32.500 0.090 0.000 1.653 809 K HN 0.457 nan 8.250 nan 0.000 0.521 810 P HA 0.188 nan 4.420 nan 0.000 0.274 810 P C -0.037 177.381 177.300 0.196 0.000 1.237 810 P CA -0.433 62.768 63.100 0.169 0.000 0.793 810 P CB 1.164 32.955 31.700 0.151 0.000 0.977 811 L N 1.502 122.864 121.223 0.232 0.000 2.350 811 L HA 0.311 4.671 4.340 0.033 0.000 0.275 811 L C 0.474 177.529 176.870 0.308 0.000 1.099 811 L CA -0.414 54.573 54.840 0.244 0.000 0.808 811 L CB 0.869 43.059 42.059 0.218 0.000 1.149 811 L HN 0.512 nan 8.230 nan 0.000 0.442 812 W N 6.236 127.599 121.300 0.105 0.000 2.347 812 W HA 0.466 5.146 4.660 0.033 0.000 0.321 812 W C -1.626 174.944 176.519 0.085 0.000 0.971 812 W CA -0.680 56.725 57.345 0.099 0.000 1.508 812 W CB 0.572 30.071 29.460 0.064 0.000 1.299 812 W HN 0.395 nan 8.180 nan 0.000 0.399 813 L N 3.892 125.182 121.223 0.111 0.000 2.387 813 L HA 0.563 4.923 4.340 0.033 0.000 0.266 813 L C 0.074 176.908 176.870 -0.060 0.000 1.059 813 L CA -0.703 54.157 54.840 0.034 0.000 0.801 813 L CB 1.388 43.484 42.059 0.062 0.000 1.223 813 L HN 0.205 nan 8.230 nan 0.000 0.456 814 E N 0.352 120.429 120.200 -0.206 0.000 2.321 814 E HA 0.544 4.914 4.350 0.033 0.000 0.278 814 E C -1.793 174.644 176.600 -0.272 0.000 0.902 814 E CA -0.496 55.866 56.400 -0.063 0.000 0.758 814 E CB 2.461 32.203 29.700 0.069 0.000 1.213 814 E HN 0.204 nan 8.360 nan 0.000 0.426 815 F N 0.814 120.805 119.950 0.069 0.000 2.593 815 F HA 0.474 5.021 4.527 0.033 0.000 0.320 815 F C 0.320 176.134 175.800 0.023 0.000 1.060 815 F CA -0.997 57.040 58.000 0.061 0.000 0.940 815 F CB 1.312 40.348 39.000 0.060 0.000 1.268 815 F HN 0.033 nan 8.300 nan 0.000 0.475 816 K N 0.460 120.985 120.400 0.208 0.000 2.144 816 K HA 0.378 4.718 4.320 0.033 0.000 0.270 816 K C -0.685 175.957 176.600 0.069 0.000 1.005 816 K CA -0.620 55.732 56.287 0.108 0.000 0.932 816 K CB 1.538 34.084 32.500 0.077 0.000 1.021 816 K HN 0.730 nan 8.250 nan 0.000 0.462 817 C N 2.176 121.487 119.300 0.018 0.000 2.576 817 C HA 0.268 4.748 4.460 0.033 0.000 0.401 817 C C 1.476 176.440 174.990 -0.044 0.000 1.314 817 C CA -0.352 58.641 59.018 -0.042 0.000 1.855 817 C CB -0.924 26.786 27.740 -0.051 0.000 2.537 817 C HN 0.878 nan 8.230 nan 0.000 0.578 818 A N 4.061 126.835 122.820 -0.077 0.000 2.261 818 A HA 0.128 4.468 4.320 0.033 0.000 0.208 818 A C 0.688 178.234 177.584 -0.063 0.000 1.223 818 A CA 0.590 52.593 52.037 -0.057 0.000 0.833 818 A CB -0.392 18.566 19.000 -0.070 0.000 0.830 818 A HN 0.922 nan 8.150 nan 0.000 0.483 819 D N 0.145 120.500 120.400 -0.075 0.000 2.460 819 D HA 0.234 4.894 4.640 0.033 0.000 0.232 819 D C -1.623 174.640 176.300 -0.062 0.000 1.079 819 D CA -1.710 52.242 54.000 -0.081 0.000 0.864 819 D CB 1.638 42.367 40.800 -0.117 0.000 1.048 819 D HN 0.068 nan 8.370 nan 0.000 0.523 820 P HA -0.174 nan 4.420 nan 0.000 0.216 820 P C 1.175 178.453 177.300 -0.037 0.000 1.150 820 P CA 1.289 64.370 63.100 -0.032 0.000 0.843 820 P CB -0.156 31.531 31.700 -0.022 0.000 0.787 821 T N -2.692 111.828 114.554 -0.057 0.000 3.139 821 T HA 0.175 4.545 4.350 0.033 0.000 0.267 821 T C 1.031 175.683 174.700 -0.080 0.000 1.164 821 T CA 0.239 62.299 62.100 -0.066 0.000 1.075 821 T CB -0.993 67.813 68.868 -0.104 0.000 0.904 821 T HN 0.202 nan 8.240 nan 0.000 0.540 822 A N 1.051 123.827 122.820 -0.073 0.000 2.507 822 A HA 0.446 4.786 4.320 0.033 0.000 0.235 822 A C 1.180 178.729 177.584 -0.058 0.000 1.070 822 A CA -0.272 51.721 52.037 -0.073 0.000 0.768 822 A CB -0.072 18.895 19.000 -0.056 0.000 1.011 822 A HN 0.569 nan 8.150 nan 0.000 0.502 823 L N 1.297 122.479 121.223 -0.069 0.000 2.627 823 L HA 0.181 4.541 4.340 0.033 0.000 0.232 823 L C 0.985 177.824 176.870 -0.052 0.000 1.150 823 L CA 0.497 55.286 54.840 -0.086 0.000 0.917 823 L CB -0.603 41.352 42.059 -0.173 0.000 1.104 823 L HN 0.732 nan 8.230 nan 0.000 0.445 824 S N -1.100 114.585 115.700 -0.025 0.000 2.757 824 S HA 0.385 4.875 4.470 0.033 0.000 0.285 824 S C -0.364 174.239 174.600 0.004 0.000 1.196 824 S CA -0.623 57.574 58.200 -0.006 0.000 0.856 824 S CB 1.186 64.391 63.200 0.008 0.000 1.212 824 S HN 0.113 nan 8.310 nan 0.000 0.516 825 N N 0.827 119.536 118.700 0.016 0.000 2.170 825 N HA 0.215 4.975 4.740 0.033 0.000 0.222 825 N C -0.914 174.616 175.510 0.034 0.000 1.218 825 N CA -0.021 53.042 53.050 0.022 0.000 0.889 825 N CB 0.593 39.094 38.487 0.022 0.000 1.083 825 N HN 0.577 nan 8.380 nan 0.000 0.520 826 E N 1.628 121.850 120.200 0.038 0.000 2.415 826 E HA 0.007 4.377 4.350 0.033 0.000 0.263 826 E C 0.563 177.198 176.600 0.059 0.000 0.995 826 E CA 0.351 56.783 56.400 0.055 0.000 0.915 826 E CB 0.613 30.348 29.700 0.058 0.000 0.951 826 E HN 0.207 nan 8.360 nan 0.000 0.449 827 T N 0.015 114.616 114.554 0.077 0.000 2.816 827 T HA 0.396 4.767 4.350 0.033 0.000 0.282 827 T C 0.170 174.930 174.700 0.099 0.000 0.993 827 T CA -0.777 61.378 62.100 0.092 0.000 0.994 827 T CB 0.574 69.506 68.868 0.107 0.000 1.025 827 T HN 0.157 nan 8.240 nan 0.000 0.529 828 I N 1.403 122.051 120.570 0.130 0.000 2.312 828 I HA 0.497 4.687 4.170 0.033 0.000 0.290 828 I C 0.910 177.140 176.117 0.188 0.000 1.008 828 I CA -0.249 61.125 61.300 0.123 0.000 1.226 828 I CB 0.975 39.007 38.000 0.053 0.000 1.371 828 I HN 0.925 nan 8.210 nan 0.000 0.468 829 G N 7.180 116.030 108.800 0.083 0.000 2.322 829 G HA2 0.760 4.740 3.960 0.033 0.000 0.309 829 G HA3 0.760 4.740 3.960 0.033 0.000 0.309 829 G C -0.583 174.307 174.900 -0.018 0.000 1.121 829 G CA -0.321 44.751 45.100 -0.047 0.000 0.886 829 G HN 0.492 nan 8.290 nan 0.000 0.447 830 I N 1.793 122.388 120.570 0.041 0.000 2.582 830 I HA 0.380 4.571 4.170 0.033 0.000 0.292 830 I C -0.602 175.535 176.117 0.033 0.000 1.066 830 I CA -0.787 60.582 61.300 0.114 0.000 1.053 830 I CB 2.674 40.869 38.000 0.326 0.000 1.241 830 I HN 0.226 nan 8.210 nan 0.000 0.421 831 I N 5.010 125.560 120.570 -0.032 0.000 2.339 831 I HA 0.333 4.523 4.170 0.033 0.000 0.290 831 I C -0.982 175.163 176.117 0.046 0.000 0.994 831 I CA -0.344 60.967 61.300 0.019 0.000 1.191 831 I CB 1.208 39.186 38.000 -0.037 0.000 1.343 831 I HN 0.345 nan 8.210 nan 0.000 0.458 832 F N 6.594 126.604 119.950 0.100 0.000 2.404 832 F HA 0.467 5.014 4.527 0.034 0.000 0.354 832 F C 0.231 176.095 175.800 0.108 0.000 1.122 832 F CA -0.276 57.790 58.000 0.109 0.000 1.080 832 F CB 1.221 40.291 39.000 0.117 0.000 1.131 832 F HN 0.338 nan 8.300 nan 0.000 0.471 833 K N 3.020 123.562 120.400 0.237 0.000 2.477 833 K HA 0.472 4.812 4.320 0.033 0.000 0.255 833 K C -1.960 174.768 176.600 0.214 0.000 0.952 833 K CA -0.845 55.561 56.287 0.197 0.000 0.826 833 K CB 1.753 34.316 32.500 0.105 0.000 1.331 833 K HN 0.750 nan 8.250 nan 0.000 0.437 834 H N 0.527 119.664 119.070 0.112 0.000 2.637 834 H HA 0.537 5.113 4.556 0.034 0.000 0.363 834 H C 0.278 175.647 175.328 0.068 0.000 1.131 834 H CA 0.662 56.766 56.048 0.094 0.000 1.183 834 H CB 2.129 31.948 29.762 0.095 0.000 1.637 834 H HN 0.760 nan 8.280 nan 0.000 0.531 835 G N 3.598 111.965 108.800 -0.721 0.000 2.380 835 G HA2 -0.161 3.819 3.960 0.033 0.000 0.197 835 G HA3 -0.161 3.819 3.960 0.033 0.000 0.197 835 G C -0.660 174.117 174.900 -0.205 0.000 1.001 835 G CA 0.043 44.897 45.100 -0.411 0.000 0.668 835 G HN 0.647 nan 8.290 nan 0.000 0.483 836 D N 0.766 121.079 120.400 -0.145 0.000 2.342 836 D HA 0.506 5.166 4.640 0.033 0.000 0.243 836 D C -1.308 174.962 176.300 -0.049 0.000 1.019 836 D CA -0.376 53.581 54.000 -0.071 0.000 0.864 836 D CB 1.824 42.601 40.800 -0.038 0.000 1.315 836 D HN 0.033 nan 8.370 nan 0.000 0.468 837 D N 1.848 122.233 120.400 -0.024 0.000 2.393 837 D HA 0.069 4.729 4.640 0.033 0.000 0.232 837 D C 0.666 176.970 176.300 0.007 0.000 1.192 837 D CA -0.385 53.610 54.000 -0.008 0.000 0.882 837 D CB 0.663 41.461 40.800 -0.004 0.000 1.038 837 D HN 0.031 nan 8.370 nan 0.000 0.499 838 L N 3.845 125.076 121.223 0.013 0.000 2.610 838 L HA 0.111 4.471 4.340 0.033 0.000 0.232 838 L C 2.204 179.078 176.870 0.006 0.000 1.149 838 L CA 0.665 55.521 54.840 0.027 0.000 0.872 838 L CB -0.533 41.546 42.059 0.032 0.000 0.992 838 L HN 0.362 nan 8.230 nan 0.000 0.447 839 R N -1.058 119.434 120.500 -0.015 0.000 2.115 839 R HA -0.103 4.257 4.340 0.033 0.000 0.226 839 R C 1.995 178.253 176.300 -0.070 0.000 1.100 839 R CA 0.876 56.944 56.100 -0.053 0.000 0.980 839 R CB 0.012 30.276 30.300 -0.060 0.000 0.875 839 R HN 0.529 nan 8.270 nan 0.000 0.445 840 Q N 0.310 120.086 119.800 -0.039 0.000 2.049 840 Q HA -0.141 4.219 4.340 0.033 0.000 0.198 840 Q C 1.348 177.322 176.000 -0.044 0.000 0.971 840 Q CA 1.556 57.335 55.803 -0.040 0.000 0.833 840 Q CB -0.023 28.716 28.738 0.001 0.000 0.896 840 Q HN 0.309 nan 8.270 nan 0.000 0.434 841 D N 0.670 121.084 120.400 0.023 0.000 2.104 841 D HA -0.172 4.488 4.640 0.033 0.000 0.194 841 D C 1.874 178.132 176.300 -0.071 0.000 0.994 841 D CA 1.344 55.389 54.000 0.075 0.000 0.830 841 D CB -0.065 40.853 40.800 0.197 0.000 0.959 841 D HN 0.144 nan 8.370 nan 0.000 0.452 842 M N -0.175 119.380 119.600 -0.075 0.000 2.073 842 M HA -0.184 4.316 4.480 0.033 0.000 0.258 842 M C 1.836 178.009 176.300 -0.211 0.000 1.070 842 M CA 0.975 56.190 55.300 -0.141 0.000 1.103 842 M CB -0.296 32.210 32.600 -0.156 0.000 1.321 842 M HN 0.092 nan 8.290 nan 0.000 0.405 843 L N 0.380 121.482 121.223 -0.203 0.000 2.013 843 L HA -0.239 4.121 4.340 0.033 0.000 0.212 843 L C 2.413 179.146 176.870 -0.227 0.000 1.073 843 L CA 1.854 56.569 54.840 -0.209 0.000 0.753 843 L CB -1.312 40.643 42.059 -0.174 0.000 0.890 843 L HN 0.323 nan 8.230 nan 0.000 0.432 844 I N -1.201 119.197 120.570 -0.286 0.000 2.226 844 I HA -0.251 3.939 4.170 0.033 0.000 0.245 844 I C 2.458 178.314 176.117 -0.436 0.000 1.100 844 I CA 0.873 61.931 61.300 -0.404 0.000 1.374 844 I CB -1.030 36.546 38.000 -0.707 0.000 1.057 844 I HN 0.195 nan 8.210 nan 0.000 0.413 845 L N 0.345 121.304 121.223 -0.441 0.000 2.079 845 L HA -0.211 4.149 4.340 0.033 0.000 0.210 845 L C 2.537 179.252 176.870 -0.259 0.000 1.081 845 L CA 1.649 56.277 54.840 -0.354 0.000 0.752 845 L CB -1.329 40.532 42.059 -0.329 0.000 0.896 845 L HN 0.275 nan 8.230 nan 0.000 0.433 846 Q N -0.391 119.264 119.800 -0.241 0.000 2.083 846 Q HA -0.057 4.303 4.340 0.033 0.000 0.198 846 Q C 2.210 178.102 176.000 -0.181 0.000 0.969 846 Q CA 1.442 57.120 55.803 -0.207 0.000 0.838 846 Q CB -0.178 28.432 28.738 -0.213 0.000 0.900 846 Q HN 0.510 nan 8.270 nan 0.000 0.436 847 I N -0.110 120.357 120.570 -0.172 0.000 2.614 847 I HA -0.222 3.968 4.170 0.033 0.000 0.258 847 I C 1.455 177.463 176.117 -0.182 0.000 1.189 847 I CA 0.249 61.463 61.300 -0.142 0.000 1.462 847 I CB -0.130 37.807 38.000 -0.104 0.000 1.092 847 I HN 0.215 nan 8.210 nan 0.000 0.442 848 L N 0.573 121.675 121.223 -0.201 0.000 2.056 848 L HA -0.121 4.239 4.340 0.033 0.000 0.207 848 L C 2.570 179.332 176.870 -0.180 0.000 1.078 848 L CA 1.724 56.443 54.840 -0.203 0.000 0.749 848 L CB -0.727 41.217 42.059 -0.191 0.000 0.901 848 L HN 0.122 nan 8.230 nan 0.000 0.433 849 R N -0.880 119.529 120.500 -0.151 0.000 2.092 849 R HA -0.063 4.297 4.340 0.033 0.000 0.231 849 R C 2.245 178.503 176.300 -0.070 0.000 1.119 849 R CA 1.221 57.263 56.100 -0.097 0.000 0.970 849 R CB -0.349 29.878 30.300 -0.122 0.000 0.864 849 R HN 0.322 nan 8.270 nan 0.000 0.440 850 I N 0.664 121.158 120.570 -0.126 0.000 2.226 850 I HA -0.292 3.898 4.170 0.033 0.000 0.245 850 I C 2.395 178.332 176.117 -0.301 0.000 1.100 850 I CA 1.410 62.605 61.300 -0.175 0.000 1.374 850 I CB -0.201 37.702 38.000 -0.160 0.000 1.057 850 I HN 0.201 nan 8.210 nan 0.000 0.413 851 M N -0.044 119.319 119.600 -0.395 0.000 2.213 851 M HA -0.204 4.296 4.480 0.033 0.000 0.263 851 M C 2.092 177.910 176.300 -0.804 0.000 1.062 851 M CA 1.677 56.524 55.300 -0.754 0.000 1.105 851 M CB -0.325 31.762 32.600 -0.856 0.000 1.385 851 M HN 0.212 nan 8.290 nan 0.000 0.417 852 E N -0.009 119.993 120.200 -0.330 0.000 2.028 852 E HA -0.161 4.209 4.350 0.033 0.000 0.191 852 E C 2.108 178.701 176.600 -0.012 0.000 0.988 852 E CA 1.756 58.139 56.400 -0.028 0.000 0.799 852 E CB -0.088 29.644 29.700 0.054 0.000 0.755 852 E HN 0.544 nan 8.360 nan 0.000 0.447 853 S N 1.069 116.723 115.700 -0.076 0.000 2.383 853 S HA -0.176 4.314 4.470 0.033 0.000 0.229 853 S C 2.097 176.603 174.600 -0.158 0.000 1.030 853 S CA 0.846 58.982 58.200 -0.107 0.000 1.002 853 S CB -0.582 62.422 63.200 -0.326 0.000 0.829 853 S HN 0.168 nan 8.310 nan 0.000 0.467 854 I N -0.014 120.366 120.570 -0.317 0.000 2.127 854 I HA -0.168 4.022 4.170 0.033 0.000 0.241 854 I C 2.571 178.601 176.117 -0.145 0.000 1.075 854 I CA 1.474 62.530 61.300 -0.407 0.000 1.334 854 I CB -0.469 37.125 38.000 -0.677 0.000 1.040 854 I HN 0.362 nan 8.210 nan 0.000 0.405 855 W N 1.311 122.573 121.300 -0.063 0.000 2.350 855 W HA -0.196 4.484 4.660 0.033 0.000 0.289 855 W C 2.510 179.078 176.519 0.082 0.000 1.215 855 W CA 1.355 58.697 57.345 -0.006 0.000 1.236 855 W CB -0.932 28.505 29.460 -0.037 0.000 1.130 855 W HN 0.355 nan 8.180 nan 0.000 0.541 856 E N 0.357 120.737 120.200 0.300 0.000 2.051 856 E HA -0.215 4.155 4.350 0.033 0.000 0.192 856 E C 1.998 178.706 176.600 0.180 0.000 0.991 856 E CA 2.502 59.082 56.400 0.300 0.000 0.799 856 E CB -0.331 29.491 29.700 0.204 0.000 0.748 856 E HN 0.112 nan 8.360 nan 0.000 0.449 857 T N -1.764 112.859 114.554 0.115 0.000 3.139 857 T HA -0.086 4.284 4.350 0.033 0.000 0.267 857 T C 0.794 175.570 174.700 0.127 0.000 1.164 857 T CA 0.993 63.149 62.100 0.093 0.000 1.075 857 T CB -0.139 68.777 68.868 0.081 0.000 0.904 857 T HN 0.234 nan 8.240 nan 0.000 0.540 858 E N -0.024 120.281 120.200 0.175 0.000 2.876 858 E HA 0.257 4.627 4.350 0.033 0.000 0.208 858 E C 0.332 177.042 176.600 0.183 0.000 0.981 858 E CA -0.127 56.378 56.400 0.174 0.000 1.174 858 E CB 0.588 30.416 29.700 0.214 0.000 1.047 858 E HN 0.344 nan 8.360 nan 0.000 0.477 859 S N 0.531 116.351 115.700 0.200 0.000 3.561 859 S HA -0.173 4.317 4.470 0.033 0.000 0.318 859 S C 0.033 174.946 174.600 0.520 0.000 1.181 859 S CA 0.421 58.771 58.200 0.250 0.000 0.916 859 S CB -1.315 61.967 63.200 0.136 0.000 0.966 859 S HN 0.347 nan 8.310 nan 0.000 0.550 860 L N 1.209 122.711 121.223 0.465 0.000 2.330 860 L HA 0.705 5.065 4.340 0.033 0.000 0.271 860 L C -0.238 176.573 176.870 -0.097 0.000 1.013 860 L CA -0.788 54.154 54.840 0.170 0.000 0.816 860 L CB 1.549 43.603 42.059 -0.008 0.000 1.287 860 L HN 0.205 nan 8.230 nan 0.000 0.435 861 D N 2.315 122.479 120.400 -0.394 0.000 2.336 861 D HA 0.189 4.849 4.640 0.033 0.000 0.248 861 D C 0.043 176.224 176.300 -0.198 0.000 1.326 861 D CA -0.369 53.331 54.000 -0.500 0.000 0.973 861 D CB 1.369 41.551 40.800 -1.030 0.000 1.255 861 D HN 0.228 nan 8.370 nan 0.000 0.558 862 L N 2.259 123.368 121.223 -0.190 0.000 2.612 862 L HA 0.118 4.478 4.340 0.033 0.000 0.230 862 L C 0.893 177.736 176.870 -0.045 0.000 1.140 862 L CA 0.212 54.921 54.840 -0.219 0.000 0.896 862 L CB -1.236 40.444 42.059 -0.633 0.000 1.065 862 L HN 0.644 nan 8.230 nan 0.000 0.447 863 C N 0.142 119.430 119.300 -0.020 0.000 4.274 863 C HA -0.204 4.276 4.460 0.033 0.000 0.297 863 C C 1.575 176.631 174.990 0.110 0.000 1.446 863 C CA -0.303 58.736 59.018 0.034 0.000 2.016 863 C CB -2.910 24.866 27.740 0.060 0.000 1.273 863 C HN 0.350 nan 8.230 nan 0.000 0.782 864 L N -0.448 120.816 121.223 0.069 0.000 2.456 864 L HA 0.229 4.589 4.340 0.033 0.000 0.266 864 L C 0.477 177.458 176.870 0.186 0.000 1.258 864 L CA 0.223 55.099 54.840 0.061 0.000 0.823 864 L CB 0.097 42.100 42.059 -0.094 0.000 1.100 864 L HN 0.254 nan 8.230 nan 0.000 0.531 865 L N 2.824 124.237 121.223 0.317 0.000 2.489 865 L HA 0.418 4.778 4.340 0.033 0.000 0.257 865 L C -2.479 174.497 176.870 0.177 0.000 1.215 865 L CA -1.595 53.346 54.840 0.167 0.000 0.915 865 L CB 0.786 42.838 42.059 -0.011 0.000 1.146 865 L HN 0.176 nan 8.230 nan 0.000 0.494 866 P HA 0.285 nan 4.420 nan 0.000 0.241 866 P C -0.917 176.286 177.300 -0.161 0.000 1.780 866 P CA -0.216 62.823 63.100 -0.102 0.000 1.111 866 P CB -0.422 31.215 31.700 -0.105 0.000 1.852 867 Y N 0.250 120.552 120.300 0.005 0.000 2.511 867 Y HA 0.419 4.989 4.550 0.034 0.000 0.347 867 Y C 1.123 176.951 175.900 -0.120 0.000 1.257 867 Y CA -1.078 56.972 58.100 -0.085 0.000 1.469 867 Y CB -0.408 37.988 38.460 -0.107 0.000 1.353 867 Y HN 0.296 nan 8.280 nan 0.000 0.617 868 G N -0.018 108.715 108.800 -0.112 0.000 2.441 868 G HA2 0.328 4.308 3.960 0.033 0.000 0.243 868 G HA3 0.328 4.308 3.960 0.033 0.000 0.243 868 G C -1.199 173.551 174.900 -0.249 0.000 1.281 868 G CA -0.050 44.881 45.100 -0.281 0.000 0.854 868 G HN 1.136 nan 8.290 nan 0.000 0.560 869 C N 2.860 122.128 119.300 -0.053 0.000 2.989 869 C HA 0.642 5.122 4.460 0.033 0.000 0.397 869 C C -0.960 174.084 174.990 0.089 0.000 1.022 869 C CA -0.928 58.106 59.018 0.027 0.000 1.232 869 C CB -0.177 27.610 27.740 0.079 0.000 1.638 869 C HN 0.668 nan 8.230 nan 0.000 0.534 870 I N 4.910 125.523 120.570 0.071 0.000 2.500 870 I HA 0.289 4.479 4.170 0.033 0.000 0.286 870 I C 0.169 176.313 176.117 0.045 0.000 1.063 870 I CA -0.004 61.345 61.300 0.082 0.000 1.062 870 I CB 2.030 40.037 38.000 0.012 0.000 1.223 870 I HN 0.693 nan 8.210 nan 0.000 0.435 871 S N 3.095 118.842 115.700 0.077 0.000 2.510 871 S HA 0.160 4.650 4.470 0.033 0.000 0.279 871 S C 1.118 175.792 174.600 0.123 0.000 1.284 871 S CA 0.019 58.261 58.200 0.070 0.000 1.059 871 S CB 0.395 63.622 63.200 0.046 0.000 0.901 871 S HN 0.783 nan 8.310 nan 0.000 0.491 872 T N 1.811 116.444 114.554 0.133 0.000 3.001 872 T HA 0.535 4.905 4.350 0.033 0.000 0.251 872 T C 0.784 175.593 174.700 0.182 0.000 1.040 872 T CA 0.215 62.444 62.100 0.214 0.000 0.985 872 T CB 0.261 69.279 68.868 0.251 0.000 1.011 872 T HN 0.853 nan 8.240 nan 0.000 0.509 873 G N 0.629 109.514 108.800 0.141 0.000 2.430 873 G HA2 0.405 4.385 3.960 0.033 0.000 0.300 873 G HA3 0.405 4.385 3.960 0.033 0.000 0.300 873 G C -2.090 172.875 174.900 0.109 0.000 1.330 873 G CA -0.780 44.395 45.100 0.126 0.000 0.813 873 G HN 0.089 nan 8.290 nan 0.000 0.487 874 D N 0.990 121.456 120.400 0.110 0.000 2.426 874 D HA 0.210 4.870 4.640 0.033 0.000 0.261 874 D C 0.916 177.279 176.300 0.106 0.000 1.245 874 D CA 0.444 54.504 54.000 0.100 0.000 0.917 874 D CB 0.243 41.108 40.800 0.108 0.000 1.123 874 D HN 0.493 nan 8.370 nan 0.000 0.508 875 K N 1.794 122.217 120.400 0.039 0.000 3.130 875 K HA -0.239 4.101 4.320 0.033 0.000 0.282 875 K C -0.034 176.542 176.600 -0.040 0.000 1.145 875 K CA 0.640 56.893 56.287 -0.057 0.000 0.831 875 K CB -2.183 30.204 32.500 -0.188 0.000 1.226 875 K HN 0.659 nan 8.250 nan 0.000 0.478 876 I N -1.758 118.865 120.570 0.088 0.000 2.894 876 I HA 0.665 4.855 4.170 0.033 0.000 0.302 876 I C -0.018 176.176 176.117 0.129 0.000 1.188 876 I CA -0.076 61.320 61.300 0.160 0.000 1.014 876 I CB 2.264 40.432 38.000 0.279 0.000 1.242 876 I HN 0.198 nan 8.210 nan 0.000 0.430 877 G N 5.973 114.838 108.800 0.109 0.000 2.320 877 G HA2 0.353 4.333 3.960 0.033 0.000 0.296 877 G HA3 0.353 4.333 3.960 0.033 0.000 0.296 877 G C -1.657 173.107 174.900 -0.226 0.000 1.306 877 G CA -0.720 44.377 45.100 -0.005 0.000 0.836 877 G HN 0.753 nan 8.290 nan 0.000 0.517 878 M N -0.763 118.626 119.600 -0.351 0.000 2.644 878 M HA 0.906 5.406 4.480 0.033 0.000 0.316 878 M C -0.943 175.253 176.300 -0.173 0.000 1.200 878 M CA -0.905 54.104 55.300 -0.484 0.000 0.944 878 M CB 2.250 34.465 32.600 -0.642 0.000 1.691 878 M HN 0.397 nan 8.290 nan 0.000 0.471 879 I N 0.300 120.780 120.570 -0.149 0.000 2.722 879 I HA 0.310 4.500 4.170 0.033 0.000 0.295 879 I C -0.644 175.335 176.117 -0.230 0.000 1.161 879 I CA -0.659 60.560 61.300 -0.135 0.000 1.032 879 I CB 2.516 40.467 38.000 -0.082 0.000 1.244 879 I HN 0.839 nan 8.210 nan 0.000 0.421 880 E N 5.814 125.734 120.200 -0.466 0.000 2.360 880 E HA 0.294 4.664 4.350 0.033 0.000 0.269 880 E C -0.988 175.459 176.600 -0.256 0.000 1.022 880 E CA -0.361 55.758 56.400 -0.467 0.000 0.887 880 E CB 0.957 30.240 29.700 -0.694 0.000 0.990 880 E HN 0.424 nan 8.360 nan 0.000 0.426 881 I N 5.237 125.692 120.570 -0.193 0.000 2.301 881 I HA 0.087 4.277 4.170 0.033 0.000 0.292 881 I C -0.237 175.814 176.117 -0.110 0.000 1.046 881 I CA -0.720 60.432 61.300 -0.247 0.000 1.282 881 I CB 1.215 38.925 38.000 -0.482 0.000 1.409 881 I HN 0.305 nan 8.210 nan 0.000 0.484 882 V N 7.537 127.418 119.914 -0.055 0.000 2.572 882 V HA 0.087 4.227 4.120 0.033 0.000 0.291 882 V C 0.672 176.824 176.094 0.097 0.000 1.039 882 V CA -0.571 61.736 62.300 0.013 0.000 1.055 882 V CB 0.501 32.316 31.823 -0.015 0.000 0.969 882 V HN 0.549 nan 8.190 nan 0.000 0.482 883 K N 3.034 123.499 120.400 0.109 0.000 2.237 883 K HA 0.157 4.497 4.320 0.033 0.000 0.270 883 K C 0.239 176.953 176.600 0.190 0.000 1.015 883 K CA -0.140 56.238 56.287 0.152 0.000 0.949 883 K CB 0.301 32.876 32.500 0.125 0.000 0.976 883 K HN 0.764 nan 8.250 nan 0.000 0.472 884 D N -0.642 119.889 120.400 0.217 0.000 2.723 884 D HA -0.199 4.461 4.640 0.033 0.000 0.236 884 D C -0.552 175.937 176.300 0.315 0.000 1.138 884 D CA 1.242 55.386 54.000 0.239 0.000 0.676 884 D CB -0.967 39.946 40.800 0.189 0.000 1.069 884 D HN 0.638 nan 8.370 nan 0.000 0.430 885 A N -0.710 122.304 122.820 0.323 0.000 2.430 885 A HA 0.869 5.209 4.320 0.033 0.000 0.300 885 A C 0.232 177.946 177.584 0.217 0.000 1.124 885 A CA -0.271 51.971 52.037 0.341 0.000 0.766 885 A CB 2.042 21.308 19.000 0.445 0.000 1.328 885 A HN 0.006 nan 8.150 nan 0.000 0.424 886 T N 0.165 114.740 114.554 0.036 0.000 2.864 886 T HA 0.542 4.912 4.350 0.033 0.000 0.299 886 T C -0.291 174.272 174.700 -0.229 0.000 1.166 886 T CA -0.421 61.622 62.100 -0.095 0.000 1.007 886 T CB 1.520 70.274 68.868 -0.190 0.000 1.219 886 T HN 0.631 nan 8.240 nan 0.000 0.506 887 T N 2.107 116.541 114.554 -0.200 0.000 2.913 887 T HA 0.196 4.566 4.350 0.033 0.000 0.297 887 T C 1.529 176.072 174.700 -0.261 0.000 1.029 887 T CA -0.581 61.386 62.100 -0.222 0.000 1.104 887 T CB 0.255 69.033 68.868 -0.151 0.000 0.964 887 T HN 0.364 nan 8.240 nan 0.000 0.532 888 I N 1.738 122.164 120.570 -0.239 0.000 2.614 888 I HA -0.100 4.090 4.170 0.033 0.000 0.258 888 I C 2.455 178.484 176.117 -0.147 0.000 1.189 888 I CA 0.889 62.052 61.300 -0.229 0.000 1.462 888 I CB -1.611 36.295 38.000 -0.156 0.000 1.092 888 I HN 0.746 nan 8.210 nan 0.000 0.442 889 A N 0.894 123.658 122.820 -0.094 0.000 1.872 889 A HA -0.149 4.191 4.320 0.033 0.000 0.214 889 A C 2.306 179.867 177.584 -0.037 0.000 1.187 889 A CA 1.032 53.063 52.037 -0.010 0.000 0.614 889 A CB -0.329 18.682 19.000 0.018 0.000 0.826 889 A HN 0.231 nan 8.150 nan 0.000 0.442 890 K N -0.225 120.123 120.400 -0.085 0.000 2.103 890 K HA -0.127 4.213 4.320 0.033 0.000 0.207 890 K C 1.836 178.366 176.600 -0.116 0.000 1.048 890 K CA 1.208 57.442 56.287 -0.089 0.000 0.930 890 K CB -0.477 31.964 32.500 -0.099 0.000 0.716 890 K HN 0.409 nan 8.250 nan 0.000 0.444 891 I N 1.879 122.321 120.570 -0.214 0.000 2.179 891 I HA -0.253 3.937 4.170 0.033 0.000 0.242 891 I C 2.494 178.548 176.117 -0.105 0.000 1.088 891 I CA 1.403 62.544 61.300 -0.264 0.000 1.357 891 I CB -1.148 36.565 38.000 -0.477 0.000 1.051 891 I HN 0.219 nan 8.210 nan 0.000 0.409 892 Q N 0.581 120.345 119.800 -0.060 0.000 2.020 892 Q HA -0.222 4.138 4.340 0.033 0.000 0.202 892 Q C 2.223 178.222 176.000 -0.001 0.000 0.982 892 Q CA 1.580 57.393 55.803 0.016 0.000 0.838 892 Q CB -0.426 28.401 28.738 0.148 0.000 0.899 892 Q HN 0.617 nan 8.270 nan 0.000 0.423 893 Q N 0.040 119.833 119.800 -0.011 0.000 2.112 893 Q HA -0.122 4.238 4.340 0.033 0.000 0.206 893 Q C 2.196 178.181 176.000 -0.024 0.000 0.987 893 Q CA 1.523 57.307 55.803 -0.031 0.000 0.858 893 Q CB -0.147 28.571 28.738 -0.033 0.000 0.905 893 Q HN 0.216 nan 8.270 nan 0.000 0.420 894 S N -0.079 115.613 115.700 -0.013 0.000 2.419 894 S HA -0.133 4.357 4.470 0.033 0.000 0.235 894 S C 1.737 176.349 174.600 0.019 0.000 1.019 894 S CA 1.605 59.811 58.200 0.011 0.000 0.982 894 S CB -0.129 63.095 63.200 0.040 0.000 0.789 894 S HN 0.451 nan 8.310 nan 0.000 0.490 895 T N 0.967 115.528 114.554 0.013 0.000 3.111 895 T HA 0.050 4.420 4.350 0.033 0.000 0.236 895 T C 2.081 176.772 174.700 -0.016 0.000 0.984 895 T CA 0.870 62.979 62.100 0.016 0.000 1.195 895 T CB -0.499 68.393 68.868 0.039 0.000 0.929 895 T HN 0.356 nan 8.240 nan 0.000 0.431 896 V N 0.260 120.151 119.914 -0.039 0.000 2.759 896 V HA 0.289 4.429 4.120 0.033 0.000 0.256 896 V C 1.941 177.993 176.094 -0.070 0.000 1.080 896 V CA 1.408 63.666 62.300 -0.069 0.000 1.101 896 V CB -1.452 30.303 31.823 -0.114 0.000 0.698 896 V HN 0.728 nan 8.190 nan 0.000 0.477 897 G N 0.987 109.753 108.800 -0.057 0.000 4.165 897 G HA2 -0.274 3.706 3.960 0.033 0.000 0.211 897 G HA3 -0.274 3.706 3.960 0.033 0.000 0.211 897 G C 0.109 174.965 174.900 -0.075 0.000 1.469 897 G CA 0.414 45.480 45.100 -0.056 0.000 0.964 897 G HN 1.197 nan 8.290 nan 0.000 0.613 898 N N 0.239 118.874 118.700 -0.109 0.000 2.636 898 N HA 0.453 5.213 4.740 0.033 0.000 0.261 898 N C 0.058 175.432 175.510 -0.227 0.000 1.195 898 N CA 1.114 54.074 53.050 -0.151 0.000 0.902 898 N CB 0.931 39.337 38.487 -0.135 0.000 1.627 898 N HN 1.206 nan 8.380 nan 0.000 0.491 899 T N 0.229 114.577 114.554 -0.343 0.000 0.541 899 T HA 0.199 4.569 4.350 0.033 0.000 0.774 899 T C 0.543 174.935 174.700 -0.513 0.000 0.992 899 T CA 1.663 63.453 62.100 -0.518 0.000 4.077 899 T CB -1.508 67.125 68.868 -0.391 0.000 2.303 899 T HN 1.814 nan 8.240 nan 0.000 0.398 903 K N 0.830 121.088 120.400 -0.237 0.000 2.174 903 K HA 0.309 4.650 4.320 0.033 0.000 0.275 903 K C -0.186 176.412 176.600 -0.003 0.000 1.015 903 K CA -0.754 55.450 56.287 -0.139 0.000 0.933 903 K CB 1.474 33.886 32.500 -0.146 0.000 1.025 903 K HN 0.181 nan 8.250 nan 0.000 0.463 904 D N 1.496 121.900 120.400 0.007 0.000 2.183 904 D HA -0.146 4.514 4.640 0.033 0.000 0.203 904 D C 1.316 177.356 176.300 -0.434 0.000 0.969 904 D CA 1.227 55.243 54.000 0.027 0.000 0.842 904 D CB 0.150 41.015 40.800 0.110 0.000 0.957 904 D HN 0.754 nan 8.370 nan 0.000 0.484 905 E N 0.611 120.292 120.200 -0.864 0.000 2.474 905 E HA -0.025 4.345 4.350 0.033 0.000 0.194 905 E C 1.592 177.737 176.600 -0.758 0.000 1.041 905 E CA 0.013 55.580 56.400 -1.387 0.000 0.874 905 E CB 0.370 29.052 29.700 -1.698 0.000 0.914 905 E HN -0.071 nan 8.360 nan 0.000 0.498 906 V N 1.311 120.951 119.914 -0.456 0.000 2.278 906 V HA -0.324 3.816 4.120 0.033 0.000 0.251 906 V C 2.383 178.433 176.094 -0.074 0.000 1.062 906 V CA 1.781 63.944 62.300 -0.229 0.000 1.038 906 V CB -0.732 31.031 31.823 -0.100 0.000 0.646 906 V HN 0.365 nan 8.190 nan 0.000 0.447 907 L N 0.528 121.688 121.223 -0.106 0.000 2.017 907 L HA -0.200 4.160 4.340 0.033 0.000 0.208 907 L C 2.235 179.167 176.870 0.104 0.000 1.073 907 L CA 2.490 57.300 54.840 -0.051 0.000 0.745 907 L CB -0.970 40.937 42.059 -0.253 0.000 0.894 907 L HN 0.416 nan 8.230 nan 0.000 0.432 908 N N -2.195 116.565 118.700 0.099 0.000 2.166 908 N HA -0.224 4.536 4.740 0.033 0.000 0.186 908 N C 1.831 177.546 175.510 0.341 0.000 1.019 908 N CA 1.116 54.329 53.050 0.272 0.000 0.856 908 N CB -0.090 38.702 38.487 0.508 0.000 0.993 908 N HN 0.570 nan 8.380 nan 0.000 0.426 909 H N -1.404 117.761 119.070 0.158 0.000 2.253 909 H HA -0.213 4.363 4.556 0.033 0.000 0.296 909 H C 1.711 177.107 175.328 0.113 0.000 1.067 909 H CA 1.540 57.647 56.048 0.099 0.000 1.245 909 H CB -0.282 29.518 29.762 0.063 0.000 1.364 909 H HN 0.390 nan 8.280 nan 0.000 0.494 910 W N 1.509 122.903 121.300 0.158 0.000 2.277 910 W HA -0.318 4.362 4.660 0.033 0.000 0.327 910 W C 2.420 178.993 176.519 0.089 0.000 1.284 910 W CA 1.911 59.306 57.345 0.083 0.000 1.277 910 W CB -0.719 28.767 29.460 0.044 0.000 1.141 910 W HN 0.197 nan 8.180 nan 0.000 0.482 911 L N 1.452 122.839 121.223 0.274 0.000 2.017 911 L HA -0.184 4.176 4.340 0.033 0.000 0.208 911 L C 2.667 179.588 176.870 0.086 0.000 1.073 911 L CA 2.719 57.673 54.840 0.189 0.000 0.745 911 L CB -1.263 41.035 42.059 0.398 0.000 0.894 911 L HN 0.091 nan 8.230 nan 0.000 0.432 912 K N -0.313 120.102 120.400 0.025 0.000 2.063 912 K HA -0.271 4.069 4.320 0.033 0.000 0.208 912 K C 2.064 178.481 176.600 -0.306 0.000 1.048 912 K CA 1.890 57.913 56.287 -0.441 0.000 0.928 912 K CB -0.316 31.904 32.500 -0.467 0.000 0.713 912 K HN 0.630 nan 8.250 nan 0.000 0.442 913 E N 0.278 120.339 120.200 -0.233 0.000 2.150 913 E HA -0.177 4.193 4.350 0.033 0.000 0.193 913 E C 1.099 177.530 176.600 -0.281 0.000 0.985 913 E CA 0.935 57.193 56.400 -0.237 0.000 0.814 913 E CB 0.155 29.733 29.700 -0.204 0.000 0.752 913 E HN 0.124 nan 8.360 nan 0.000 0.466 914 K N 0.611 120.775 120.400 -0.394 0.000 2.444 914 K HA 0.179 4.519 4.320 0.033 0.000 0.193 914 K C -0.021 176.454 176.600 -0.209 0.000 1.024 914 K CA 0.081 56.133 56.287 -0.392 0.000 1.077 914 K CB 0.845 32.911 32.500 -0.722 0.000 0.833 914 K HN -0.057 nan 8.250 nan 0.000 0.517 915 S N 2.048 117.651 115.700 -0.162 0.000 2.449 915 S HA 0.273 4.763 4.470 0.033 0.000 0.310 915 S C -1.746 172.789 174.600 -0.107 0.000 1.096 915 S CA -1.167 56.990 58.200 -0.071 0.000 1.095 915 S CB 2.194 65.411 63.200 0.029 0.000 1.007 915 S HN 0.036 nan 8.310 nan 0.000 0.474 916 P HA 0.061 nan 4.420 nan 0.000 0.204 916 P C 0.427 177.701 177.300 -0.044 0.000 1.180 916 P CA 0.500 63.563 63.100 -0.060 0.000 0.897 916 P CB -0.742 30.934 31.700 -0.039 0.000 0.737 917 T N -0.927 113.620 114.554 -0.012 0.000 2.932 917 T HA 0.062 4.432 4.350 0.033 0.000 0.312 917 T C 1.202 175.918 174.700 0.026 0.000 1.071 917 T CA -0.216 61.888 62.100 0.006 0.000 1.128 917 T CB 0.654 69.533 68.868 0.019 0.000 0.984 917 T HN -0.007 nan 8.240 nan 0.000 0.549 918 E N 1.508 121.727 120.200 0.032 0.000 2.204 918 E HA -0.098 4.272 4.350 0.033 0.000 0.194 918 E C 1.866 178.554 176.600 0.148 0.000 0.989 918 E CA 0.995 57.442 56.400 0.077 0.000 0.824 918 E CB -0.060 29.679 29.700 0.064 0.000 0.756 918 E HN 0.816 nan 8.360 nan 0.000 0.477 919 E N 0.734 120.993 120.200 0.098 0.000 2.021 919 E HA -0.125 4.245 4.350 0.033 0.000 0.200 919 E C 0.616 177.288 176.600 0.119 0.000 1.015 919 E CA 1.078 57.534 56.400 0.094 0.000 0.824 919 E CB -0.102 29.633 29.700 0.058 0.000 0.762 919 E HN -0.107 nan 8.360 nan 0.000 0.454 920 K N 0.309 120.774 120.400 0.109 0.000 2.382 920 K HA 0.075 4.415 4.320 0.033 0.000 0.286 920 K C -0.164 176.580 176.600 0.241 0.000 1.062 920 K CA 0.309 56.669 56.287 0.122 0.000 1.000 920 K CB 0.512 33.061 32.500 0.082 0.000 0.954 920 K HN 0.278 nan 8.250 nan 0.000 0.470 921 F N 1.125 121.094 119.950 0.032 0.000 1.674 921 F HA -0.212 4.335 4.527 0.034 0.000 0.515 921 F C 0.520 176.354 175.800 0.058 0.000 0.494 921 F CA 0.403 58.425 58.000 0.037 0.000 2.262 921 F CB -0.372 38.640 39.000 0.019 0.000 3.120 921 F HN 0.441 nan 8.300 nan 0.000 0.231 922 Q N 1.067 120.891 119.800 0.040 0.000 2.425 922 Q HA 0.447 4.807 4.340 0.033 0.000 0.204 922 Q C 1.830 177.821 176.000 -0.016 0.000 0.933 922 Q CA 0.967 56.743 55.803 -0.045 0.000 0.939 922 Q CB 0.523 29.323 28.738 0.103 0.000 1.044 922 Q HN 0.640 nan 8.270 nan 0.000 0.513 923 A N 0.270 123.095 122.820 0.008 0.000 1.920 923 A HA 0.267 4.607 4.320 0.033 0.000 0.209 923 A C 2.174 179.768 177.584 0.015 0.000 1.229 923 A CA 0.944 52.995 52.037 0.023 0.000 0.671 923 A CB -0.373 18.652 19.000 0.042 0.000 0.886 923 A HN 0.263 nan 8.150 nan 0.000 0.461 924 A N -0.245 122.582 122.820 0.011 0.000 1.972 924 A HA 0.024 4.364 4.320 0.033 0.000 0.219 924 A C 2.080 179.663 177.584 -0.002 0.000 1.169 924 A CA 1.838 53.900 52.037 0.043 0.000 0.635 924 A CB -0.720 18.336 19.000 0.094 0.000 0.810 924 A HN 0.384 nan 8.150 nan 0.000 0.446 925 V N 0.021 119.811 119.914 -0.207 0.000 2.591 925 V HA -0.127 4.013 4.120 0.033 0.000 0.249 925 V C 2.431 178.510 176.094 -0.025 0.000 1.053 925 V CA 1.698 63.866 62.300 -0.220 0.000 1.068 925 V CB -0.573 30.950 31.823 -0.499 0.000 0.689 925 V HN 0.479 nan 8.190 nan 0.000 0.462 926 E N 0.463 120.683 120.200 0.032 0.000 2.047 926 E HA -0.200 4.170 4.350 0.033 0.000 0.191 926 E C 2.308 179.038 176.600 0.217 0.000 0.987 926 E CA 1.097 57.599 56.400 0.171 0.000 0.799 926 E CB -0.325 29.453 29.700 0.129 0.000 0.752 926 E HN 0.478 nan 8.360 nan 0.000 0.449 927 R N -0.113 120.467 120.500 0.132 0.000 2.105 927 R HA -0.145 4.215 4.340 0.033 0.000 0.239 927 R C 2.316 178.760 176.300 0.240 0.000 1.135 927 R CA 1.149 57.331 56.100 0.137 0.000 0.967 927 R CB -0.349 30.017 30.300 0.109 0.000 0.861 927 R HN 0.144 nan 8.270 nan 0.000 0.442 928 F N 0.347 120.377 119.950 0.134 0.000 2.186 928 F HA -0.144 4.404 4.527 0.034 0.000 0.299 928 F C 1.751 177.669 175.800 0.197 0.000 1.090 928 F CA 1.132 59.232 58.000 0.167 0.000 1.307 928 F CB -0.114 38.955 39.000 0.114 0.000 1.019 928 F HN -0.206 nan 8.300 nan 0.000 0.489 929 V N -0.327 119.720 119.914 0.221 0.000 2.295 929 V HA -0.312 3.828 4.120 0.033 0.000 0.246 929 V C 2.076 178.225 176.094 0.092 0.000 1.049 929 V CA 2.061 64.463 62.300 0.169 0.000 1.024 929 V CB -1.053 30.926 31.823 0.260 0.000 0.648 929 V HN 0.345 nan 8.190 nan 0.000 0.447 930 Y N 1.455 121.755 120.300 0.000 0.000 2.133 930 Y HA -0.235 4.335 4.550 0.033 0.000 0.287 930 Y C 2.998 178.844 175.900 -0.091 0.000 1.134 930 Y CA 1.875 59.932 58.100 -0.072 0.000 1.133 930 Y CB -0.909 37.504 38.460 -0.078 0.000 0.987 930 Y HN 0.394 nan 8.280 nan 0.000 0.502 931 S N -1.492 114.289 115.700 0.136 0.000 2.399 931 S HA -0.263 4.227 4.470 0.033 0.000 0.231 931 S C 2.206 176.885 174.600 0.131 0.000 1.022 931 S CA 1.173 59.467 58.200 0.156 0.000 0.983 931 S CB -1.390 61.947 63.200 0.228 0.000 0.803 931 S HN 0.597 nan 8.310 nan 0.000 0.480 932 C N 1.884 121.125 119.300 -0.098 0.000 2.446 932 C HA 0.268 4.748 4.460 0.033 0.000 0.277 932 C C 3.137 178.176 174.990 0.081 0.000 1.275 932 C CA 0.748 59.693 59.018 -0.122 0.000 1.727 932 C CB -1.696 25.747 27.740 -0.496 0.000 2.010 932 C HN 0.701 nan 8.230 nan 0.000 0.486 933 A N 0.800 123.649 122.820 0.048 0.000 1.865 933 A HA 0.063 4.403 4.320 0.033 0.000 0.217 933 A C 2.498 179.932 177.584 -0.250 0.000 1.191 933 A CA 2.362 54.283 52.037 -0.193 0.000 0.623 933 A CB -1.713 17.015 19.000 -0.453 0.000 0.826 933 A HN 0.708 nan 8.150 nan 0.000 0.444 934 G N -1.422 107.221 108.800 -0.261 0.000 2.553 934 G HA2 -0.319 3.661 3.960 0.033 0.000 0.218 934 G HA3 -0.319 3.661 3.960 0.033 0.000 0.218 934 G C 1.460 176.276 174.900 -0.140 0.000 1.195 934 G CA 1.435 46.346 45.100 -0.315 0.000 0.779 934 G HN 0.572 nan 8.290 nan 0.000 0.577 935 Y N 0.031 120.324 120.300 -0.012 0.000 2.421 935 Y HA -0.070 4.500 4.550 0.034 0.000 0.292 935 Y C 3.036 178.891 175.900 -0.075 0.000 1.136 935 Y CA 0.610 58.690 58.100 -0.033 0.000 1.255 935 Y CB -0.178 38.250 38.460 -0.053 0.000 0.991 935 Y HN 0.241 nan 8.280 nan 0.000 0.552 936 C N -1.703 117.602 119.300 0.008 0.000 2.486 936 C HA -0.070 4.410 4.460 0.033 0.000 0.279 936 C C 2.651 177.517 174.990 -0.206 0.000 1.302 936 C CA 0.516 59.385 59.018 -0.248 0.000 1.720 936 C CB -0.945 26.481 27.740 -0.524 0.000 2.030 936 C HN 0.324 nan 8.230 nan 0.000 0.490 937 V N 1.646 121.529 119.914 -0.052 0.000 2.244 937 V HA -0.159 3.981 4.120 0.033 0.000 0.244 937 V C 2.771 179.021 176.094 0.261 0.000 1.042 937 V CA 2.244 64.617 62.300 0.123 0.000 1.006 937 V CB -1.477 30.317 31.823 -0.048 0.000 0.641 937 V HN 0.547 nan 8.190 nan 0.000 0.446 938 A N -0.457 122.490 122.820 0.211 0.000 1.859 938 A HA -0.333 4.007 4.320 0.033 0.000 0.217 938 A C 2.462 180.132 177.584 0.143 0.000 1.198 938 A CA 2.972 55.095 52.037 0.143 0.000 0.629 938 A CB -1.347 17.672 19.000 0.031 0.000 0.830 938 A HN 0.455 nan 8.150 nan 0.000 0.446 939 T N -1.911 112.734 114.554 0.152 0.000 2.881 939 T HA -0.129 4.241 4.350 0.033 0.000 0.270 939 T C 1.489 176.378 174.700 0.315 0.000 1.068 939 T CA 1.674 63.899 62.100 0.208 0.000 1.131 939 T CB -0.432 68.541 68.868 0.175 0.000 0.871 939 T HN 0.442 nan 8.240 nan 0.000 0.479 940 F N 1.030 121.116 119.950 0.228 0.000 2.149 940 F HA 0.090 4.637 4.527 0.033 0.000 0.294 940 F C 2.126 178.148 175.800 0.370 0.000 1.095 940 F CA 0.646 58.844 58.000 0.330 0.000 1.276 940 F CB -0.687 38.512 39.000 0.331 0.000 1.023 940 F HN -0.033 nan 8.300 nan 0.000 0.480 941 V N 1.013 120.991 119.914 0.106 0.000 2.343 941 V HA -0.287 3.853 4.120 0.033 0.000 0.247 941 V C 2.389 178.478 176.094 -0.009 0.000 1.051 941 V CA 1.907 64.187 62.300 -0.034 0.000 1.036 941 V CB -0.768 31.088 31.823 0.055 0.000 0.654 941 V HN 0.353 nan 8.190 nan 0.000 0.451 942 L N 0.387 121.656 121.223 0.077 0.000 2.610 942 L HA 0.225 4.585 4.340 0.033 0.000 0.232 942 L C 1.556 178.502 176.870 0.127 0.000 1.149 942 L CA 0.771 55.700 54.840 0.150 0.000 0.872 942 L CB -0.705 41.450 42.059 0.160 0.000 0.992 942 L HN 0.567 nan 8.230 nan 0.000 0.447 943 G N 1.894 110.688 108.800 -0.009 0.000 2.298 943 G HA2 -0.282 3.698 3.960 0.033 0.000 0.287 943 G HA3 -0.282 3.698 3.960 0.033 0.000 0.287 943 G C 0.452 175.279 174.900 -0.122 0.000 1.075 943 G CA 0.557 45.393 45.100 -0.440 0.000 0.960 943 G HN 0.638 nan 8.290 nan 0.000 0.502 944 I N -4.171 116.466 120.570 0.112 0.000 3.578 944 I HA 0.503 4.693 4.170 0.033 0.000 0.321 944 I C 1.297 177.622 176.117 0.346 0.000 1.510 944 I CA 0.146 61.590 61.300 0.240 0.000 1.002 944 I CB 0.135 38.358 38.000 0.371 0.000 1.427 944 I HN 0.059 nan 8.210 nan 0.000 0.575 945 G N 0.555 109.556 108.800 0.335 0.000 2.430 945 G HA2 -0.151 3.829 3.960 0.033 0.000 0.216 945 G HA3 -0.151 3.829 3.960 0.033 0.000 0.216 945 G C 0.560 175.680 174.900 0.366 0.000 1.146 945 G CA 0.355 45.710 45.100 0.425 0.000 0.793 945 G HN 0.450 nan 8.290 nan 0.000 0.537 946 D N 1.020 121.593 120.400 0.288 0.000 2.380 946 D HA 0.086 4.747 4.640 0.033 0.000 0.270 946 D C 0.703 177.144 176.300 0.235 0.000 1.363 946 D CA 0.119 54.286 54.000 0.278 0.000 1.057 946 D CB 0.251 41.233 40.800 0.304 0.000 1.096 946 D HN -0.007 nan 8.370 nan 0.000 0.524 947 R N 1.495 122.088 120.500 0.155 0.000 2.948 947 R HA 0.405 4.765 4.340 0.033 0.000 0.216 947 R C -0.284 175.804 176.300 -0.353 0.000 1.557 947 R CA -0.719 55.343 56.100 -0.062 0.000 0.970 947 R CB 0.115 30.381 30.300 -0.057 0.000 2.255 947 R HN 0.477 nan 8.270 nan 0.000 0.527 948 H N 0.482 119.284 119.070 -0.448 0.000 3.239 948 H HA 0.205 4.781 4.556 0.033 0.000 0.320 948 H C 0.347 175.542 175.328 -0.222 0.000 1.074 948 H CA -0.181 55.591 56.048 -0.460 0.000 1.553 948 H CB 0.311 29.703 29.762 -0.617 0.000 1.752 948 H HN 0.419 nan 8.280 nan 0.000 0.513 949 N N 2.092 120.635 118.700 -0.263 0.000 2.338 949 N HA -0.312 4.448 4.740 0.033 0.000 0.193 949 N C 1.368 176.827 175.510 -0.084 0.000 0.880 949 N CA 2.180 55.144 53.050 -0.143 0.000 0.941 949 N CB -0.057 38.374 38.487 -0.093 0.000 1.060 949 N HN 0.768 nan 8.380 nan 0.000 0.781 950 D N -0.450 119.980 120.400 0.050 0.000 2.312 950 D HA 0.029 4.689 4.640 0.033 0.000 0.211 950 D C 0.469 176.721 176.300 -0.079 0.000 0.964 950 D CA 0.642 54.668 54.000 0.044 0.000 0.877 950 D CB -0.401 40.502 40.800 0.172 0.000 0.924 950 D HN 0.477 nan 8.370 nan 0.000 0.515 951 N N -0.333 118.298 118.700 -0.116 0.000 2.268 951 N HA 0.157 4.917 4.740 0.033 0.000 0.204 951 N C 0.043 175.330 175.510 -0.371 0.000 1.124 951 N CA -0.119 52.783 53.050 -0.247 0.000 0.838 951 N CB 0.987 39.323 38.487 -0.252 0.000 0.994 951 N HN 0.296 nan 8.380 nan 0.000 0.489 952 I N -1.430 118.918 120.570 -0.371 0.000 2.607 952 I HA 0.407 4.597 4.170 0.033 0.000 0.290 952 I C -1.412 174.451 176.117 -0.423 0.000 1.129 952 I CA -0.746 60.271 61.300 -0.471 0.000 1.042 952 I CB 1.634 39.289 38.000 -0.576 0.000 1.242 952 I HN -0.186 nan 8.210 nan 0.000 0.421 953 M N 6.613 125.813 119.600 -0.666 0.000 2.861 953 M HA 0.651 5.151 4.480 0.033 0.000 0.294 953 M C -0.963 175.066 176.300 -0.451 0.000 1.185 953 M CA -0.957 53.952 55.300 -0.652 0.000 0.809 953 M CB 2.637 34.684 32.600 -0.922 0.000 1.722 953 M HN 0.668 nan 8.290 nan 0.000 0.496 954 I N 0.170 120.619 120.570 -0.201 0.000 2.775 954 I HA 0.376 4.566 4.170 0.033 0.000 0.295 954 I C -0.745 175.553 176.117 0.301 0.000 1.287 954 I CA -0.320 61.062 61.300 0.137 0.000 1.029 954 I CB 2.427 40.493 38.000 0.111 0.000 1.282 954 I HN 0.859 nan 8.210 nan 0.000 0.426 955 T N 1.211 116.041 114.554 0.461 0.000 2.902 955 T HA 0.364 4.734 4.350 0.033 0.000 0.280 955 T C 0.739 175.755 174.700 0.526 0.000 0.992 955 T CA -0.489 61.885 62.100 0.455 0.000 1.015 955 T CB 1.501 70.580 68.868 0.353 0.000 1.044 955 T HN 0.705 nan 8.240 nan 0.000 0.520 956 E N 0.247 120.722 120.200 0.458 0.000 2.333 956 E HA -0.077 4.293 4.350 0.033 0.000 0.198 956 E C 1.234 177.943 176.600 0.182 0.000 1.007 956 E CA 1.022 57.570 56.400 0.247 0.000 0.845 956 E CB -0.195 29.539 29.700 0.056 0.000 0.766 956 E HN 0.677 nan 8.360 nan 0.000 0.507 957 T N -0.581 114.102 114.554 0.215 0.000 3.219 957 T HA 0.166 4.536 4.350 0.033 0.000 0.249 957 T C 1.154 175.981 174.700 0.211 0.000 1.099 957 T CA 0.535 62.737 62.100 0.172 0.000 0.988 957 T CB 0.489 69.437 68.868 0.134 0.000 0.999 957 T HN 0.416 nan 8.240 nan 0.000 0.550 958 G N 2.079 111.058 108.800 0.298 0.000 2.199 958 G HA2 -0.253 3.727 3.960 0.033 0.000 0.254 958 G HA3 -0.253 3.727 3.960 0.033 0.000 0.254 958 G C 0.173 175.309 174.900 0.394 0.000 0.982 958 G CA -0.357 44.950 45.100 0.346 0.000 0.632 958 G HN 0.496 nan 8.290 nan 0.000 0.529 959 N N 0.817 119.721 118.700 0.340 0.000 2.416 959 N HA 0.383 5.143 4.740 0.033 0.000 0.265 959 N C 0.420 176.204 175.510 0.457 0.000 1.195 959 N CA -0.012 53.244 53.050 0.343 0.000 0.943 959 N CB 0.668 39.315 38.487 0.265 0.000 1.115 959 N HN 0.542 nan 8.380 nan 0.000 0.481 960 L N 4.464 125.933 121.223 0.411 0.000 2.439 960 L HA 0.616 4.976 4.340 0.033 0.000 0.259 960 L C -0.772 176.318 176.870 0.367 0.000 1.129 960 L CA -0.475 54.576 54.840 0.352 0.000 0.803 960 L CB 0.390 42.598 42.059 0.248 0.000 1.161 960 L HN 0.570 nan 8.230 nan 0.000 0.462 961 F N -0.234 119.617 119.950 -0.167 0.000 2.662 961 F HA 0.343 4.890 4.527 0.033 0.000 0.319 961 F C -1.046 174.553 175.800 -0.335 0.000 1.079 961 F CA -0.965 56.690 58.000 -0.574 0.000 1.062 961 F CB 0.115 39.094 39.000 -0.035 0.000 1.299 961 F HN 0.484 nan 8.300 nan 0.000 0.487 962 H N 3.698 122.397 119.070 -0.618 0.000 2.660 962 H HA 0.756 5.332 4.556 0.034 0.000 0.374 962 H C 0.185 175.390 175.328 -0.205 0.000 1.291 962 H CA 0.209 56.081 56.048 -0.294 0.000 1.437 962 H CB 1.873 31.610 29.762 -0.042 0.000 1.509 962 H HN 0.767 nan 8.280 nan 0.000 0.614 963 I N -2.939 117.385 120.570 -0.411 0.000 3.550 963 I HA 0.238 4.428 4.170 0.033 0.000 0.307 963 I C 0.019 175.573 176.117 -0.939 0.000 1.178 963 I CA -0.929 60.051 61.300 -0.533 0.000 1.001 963 I CB 1.508 39.326 38.000 -0.304 0.000 1.360 963 I HN 0.405 nan 8.210 nan 0.000 0.477 964 D N 0.417 120.546 120.400 -0.451 0.000 2.930 964 D HA -0.300 4.360 4.640 0.033 0.000 0.198 964 D C 0.560 176.719 176.300 -0.235 0.000 1.130 964 D CA 2.317 56.145 54.000 -0.287 0.000 0.959 964 D CB -1.315 39.337 40.800 -0.245 0.000 1.034 964 D HN 0.616 nan 8.370 nan 0.000 0.373 965 F N -0.744 119.165 119.950 -0.068 0.000 2.566 965 F HA -0.178 4.369 4.527 0.034 0.000 0.177 965 F C 1.547 177.214 175.800 -0.222 0.000 1.103 965 F CA 0.616 58.520 58.000 -0.160 0.000 0.756 965 F CB -1.622 37.367 39.000 -0.018 0.000 0.571 965 F HN 0.099 nan 8.300 nan 0.000 0.814 966 G N 0.262 108.929 108.800 -0.221 0.000 2.696 966 G HA2 0.486 4.466 3.960 0.033 0.000 0.329 966 G HA3 0.486 4.466 3.960 0.033 0.000 0.329 966 G C -0.540 174.247 174.900 -0.188 0.000 0.973 966 G CA -0.248 44.766 45.100 -0.144 0.000 1.257 966 G HN 0.617 nan 8.290 nan 0.000 0.456 982 R N 0.249 120.730 120.500 -0.031 0.000 2.905 982 R HA 0.809 5.169 4.340 0.033 0.000 0.260 982 R C -1.310 174.989 176.300 -0.002 0.000 1.086 982 R CA -1.087 55.019 56.100 0.010 0.000 0.978 982 R CB 2.210 32.537 30.300 0.045 0.000 1.215 982 R HN 0.255 nan 8.270 nan 0.000 0.480 983 V N 2.074 122.003 119.914 0.025 0.000 2.932 983 V HA 0.269 4.409 4.120 0.033 0.000 0.307 983 V C -1.797 174.282 176.094 -0.026 0.000 1.147 983 V CA -1.957 60.306 62.300 -0.062 0.000 0.951 983 V CB 2.571 34.347 31.823 -0.078 0.000 1.031 983 V HN 0.662 nan 8.190 nan 0.000 0.426 984 P HA -0.024 nan 4.420 nan 0.000 0.217 984 P C 0.050 177.538 177.300 0.314 0.000 1.150 984 P CA 1.515 64.644 63.100 0.048 0.000 0.832 984 P CB 0.051 31.530 31.700 -0.368 0.000 0.787 985 F N -4.213 115.777 119.950 0.066 0.000 3.169 985 F HA 0.541 5.087 4.527 0.033 0.000 0.325 985 F C -1.312 174.506 175.800 0.030 0.000 1.175 985 F CA -1.578 56.488 58.000 0.110 0.000 0.887 985 F CB 0.507 39.578 39.000 0.118 0.000 1.457 985 F HN -0.489 nan 8.300 nan 0.000 0.496 986 V N 2.219 122.296 119.914 0.272 0.000 2.311 986 V HA 0.535 4.675 4.120 0.033 0.000 0.275 986 V C -1.026 174.927 176.094 -0.235 0.000 1.022 986 V CA -0.252 62.030 62.300 -0.030 0.000 0.830 986 V CB 0.997 32.766 31.823 -0.089 0.000 1.012 986 V HN 0.617 nan 8.190 nan 0.000 0.452 987 L N 5.835 126.906 121.223 -0.254 0.000 2.475 987 L HA 0.502 4.862 4.340 0.033 0.000 0.253 987 L C 0.236 176.988 176.870 -0.197 0.000 1.483 987 L CA 0.474 55.149 54.840 -0.275 0.000 0.869 987 L CB 1.217 43.273 42.059 -0.005 0.000 1.086 987 L HN 0.593 nan 8.230 nan 0.000 0.514 988 T N 2.105 116.598 114.554 -0.102 0.000 2.816 988 T HA 0.290 4.660 4.350 0.033 0.000 0.282 988 T C -1.765 172.779 174.700 -0.260 0.000 0.993 988 T CA -0.929 60.992 62.100 -0.297 0.000 0.994 988 T CB 1.099 69.568 68.868 -0.665 0.000 1.025 988 T HN 0.219 nan 8.240 nan 0.000 0.529 989 P HA -0.223 nan 4.420 nan 0.000 0.217 989 P C 1.511 178.782 177.300 -0.048 0.000 1.158 989 P CA 1.340 64.283 63.100 -0.262 0.000 0.887 989 P CB -0.008 31.571 31.700 -0.200 0.000 0.792 990 D N -0.885 119.446 120.400 -0.115 0.000 2.133 990 D HA -0.222 4.438 4.640 0.033 0.000 0.195 990 D C 1.818 178.043 176.300 -0.125 0.000 0.997 990 D CA 1.475 55.430 54.000 -0.075 0.000 0.840 990 D CB -1.313 39.369 40.800 -0.195 0.000 0.947 990 D HN 0.196 nan 8.370 nan 0.000 0.452 991 F N 1.027 120.959 119.950 -0.029 0.000 2.102 991 F HA -0.028 4.519 4.527 0.034 0.000 0.298 991 F C 2.787 178.627 175.800 0.067 0.000 1.105 991 F CA 0.735 58.804 58.000 0.116 0.000 1.239 991 F CB -0.645 38.496 39.000 0.236 0.000 0.991 991 F HN -0.115 nan 8.300 nan 0.000 0.474 992 L N -1.267 120.067 121.223 0.186 0.000 2.042 992 L HA -0.257 4.103 4.340 0.033 0.000 0.210 992 L C 2.422 179.316 176.870 0.041 0.000 1.076 992 L CA 1.380 56.258 54.840 0.064 0.000 0.749 992 L CB -0.815 41.228 42.059 -0.026 0.000 0.893 992 L HN 0.105 nan 8.230 nan 0.000 0.432 993 F N 0.230 120.154 119.950 -0.043 0.000 2.154 993 F HA -0.238 4.309 4.527 0.033 0.000 0.301 993 F C 2.232 177.996 175.800 -0.060 0.000 1.087 993 F CA 1.530 59.502 58.000 -0.045 0.000 1.274 993 F CB -0.121 38.849 39.000 -0.050 0.000 1.009 993 F HN -0.239 nan 8.300 nan 0.000 0.485 994 V N 0.223 120.135 119.914 -0.003 0.000 2.515 994 V HA -0.311 3.829 4.120 0.033 0.000 0.250 994 V C 2.218 178.212 176.094 -0.166 0.000 1.058 994 V CA 1.988 64.196 62.300 -0.152 0.000 1.064 994 V CB -0.562 30.965 31.823 -0.492 0.000 0.675 994 V HN 0.370 nan 8.190 nan 0.000 0.461 995 M N -0.440 119.124 119.600 -0.060 0.000 2.619 995 M HA 0.156 4.656 4.480 0.033 0.000 0.251 995 M C 1.725 178.029 176.300 0.008 0.000 1.106 995 M CA 1.110 56.410 55.300 0.000 0.000 1.086 995 M CB 0.010 32.691 32.600 0.136 0.000 1.465 995 M HN 0.543 nan 8.290 nan 0.000 0.506 996 G N -0.089 108.628 108.800 -0.139 0.000 2.199 996 G HA2 -0.241 3.739 3.960 0.033 0.000 0.254 996 G HA3 -0.241 3.739 3.960 0.033 0.000 0.254 996 G C 0.430 175.236 174.900 -0.157 0.000 0.982 996 G CA 0.575 45.567 45.100 -0.180 0.000 0.632 996 G HN 0.414 nan 8.290 nan 0.000 0.529 997 T N -0.253 114.229 114.554 -0.120 0.000 3.440 997 T HA 0.734 5.104 4.350 0.033 0.000 0.308 997 T C 0.543 175.160 174.700 -0.138 0.000 1.249 997 T CA 1.544 63.562 62.100 -0.136 0.000 0.903 997 T CB 0.932 69.663 68.868 -0.229 0.000 2.240 997 T HN 2.156 nan 8.240 nan 0.000 0.546 998 S N -1.748 113.872 115.700 -0.134 0.000 2.791 998 S HA 0.343 4.833 4.470 0.033 0.000 0.261 998 S C 0.265 174.826 174.600 -0.064 0.000 0.684 998 S CA 0.379 58.544 58.200 -0.057 0.000 1.126 998 S CB -1.017 62.203 63.200 0.034 0.000 1.400 998 S HN 2.158 nan 8.310 nan 0.000 0.522 999 G N 1.639 110.421 108.800 -0.030 0.000 2.393 999 G HA2 -0.017 3.963 3.960 0.033 0.000 0.299 999 G HA3 -0.017 3.963 3.960 0.033 0.000 0.299 999 G C 0.213 175.074 174.900 -0.064 0.000 0.990 999 G CA 0.962 46.046 45.100 -0.027 0.000 1.118 999 G HN 1.985 nan 8.290 nan 0.000 0.513 1000 K N -1.586 118.747 120.400 -0.111 0.000 5.294 1000 K HA -0.194 4.146 4.320 0.033 0.000 0.344 1000 K C 0.815 177.337 176.600 -0.130 0.000 0.909 1000 K CA 1.914 58.119 56.287 -0.137 0.000 1.081 1000 K CB -1.107 31.343 32.500 -0.083 0.000 1.814 1000 K HN 0.835 nan 8.250 nan 0.000 0.407 1001 K N -0.651 119.631 120.400 -0.197 0.000 2.367 1001 K HA 0.553 4.893 4.320 0.033 0.000 0.314 1001 K C -0.295 176.211 176.600 -0.156 0.000 0.977 1001 K CA -0.274 55.932 56.287 -0.136 0.000 0.829 1001 K CB 0.951 33.390 32.500 -0.100 0.000 3.516 1001 K HN 0.404 nan 8.250 nan 0.000 1.221 1002 T N -0.075 114.411 114.554 -0.114 0.000 2.663 1002 T HA 0.430 4.800 4.350 0.033 0.000 0.305 1002 T C -1.773 172.959 174.700 0.053 0.000 1.660 1002 T CA -0.880 61.222 62.100 0.003 0.000 0.976 1002 T CB 1.466 70.388 68.868 0.090 0.000 1.705 1002 T HN 0.719 nan 8.240 nan 0.000 0.494 1003 S N -1.272 114.526 115.700 0.164 0.000 2.744 1003 S HA 0.398 4.888 4.470 0.033 0.000 0.284 1003 S C -3.043 171.654 174.600 0.162 0.000 0.979 1003 S CA -0.920 57.363 58.200 0.138 0.000 0.870 1003 S CB 0.611 63.893 63.200 0.137 0.000 1.094 1003 S HN 0.436 nan 8.310 nan 0.000 0.458 1004 P HA -0.224 nan 4.420 nan 0.000 0.219 1004 P C 1.311 178.621 177.300 0.018 0.000 1.158 1004 P CA 1.870 64.969 63.100 -0.000 0.000 0.895 1004 P CB -0.152 31.489 31.700 -0.098 0.000 0.792 1005 H N -2.405 116.735 119.070 0.116 0.000 2.276 1005 H HA -0.086 4.490 4.556 0.033 0.000 0.301 1005 H C 1.966 177.406 175.328 0.187 0.000 1.073 1005 H CA 1.356 57.486 56.048 0.136 0.000 1.311 1005 H CB -1.246 28.597 29.762 0.135 0.000 1.379 1005 H HN 0.074 nan 8.280 nan 0.000 0.494 1006 F N 2.314 122.408 119.950 0.240 0.000 2.147 1006 F HA -0.271 4.276 4.527 0.033 0.000 0.301 1006 F C 2.286 178.235 175.800 0.247 0.000 1.084 1006 F CA 1.659 59.784 58.000 0.207 0.000 1.268 1006 F CB -0.199 38.866 39.000 0.110 0.000 1.009 1006 F HN 0.186 nan 8.300 nan 0.000 0.486 1007 Q N -0.285 119.547 119.800 0.054 0.000 2.245 1007 Q HA -0.149 4.211 4.340 0.033 0.000 0.201 1007 Q C 2.206 178.157 176.000 -0.082 0.000 0.955 1007 Q CA 1.198 56.964 55.803 -0.061 0.000 0.870 1007 Q CB -0.209 28.556 28.738 0.046 0.000 0.945 1007 Q HN 0.474 nan 8.270 nan 0.000 0.461 1008 K N 0.634 121.028 120.400 -0.009 0.000 2.062 1008 K HA -0.140 4.200 4.320 0.033 0.000 0.205 1008 K C 1.854 178.388 176.600 -0.110 0.000 1.051 1008 K CA 0.744 57.007 56.287 -0.039 0.000 0.941 1008 K CB -0.084 32.443 32.500 0.045 0.000 0.719 1008 K HN 0.100 nan 8.250 nan 0.000 0.440 1009 F N 2.280 122.121 119.950 -0.181 0.000 2.046 1009 F HA -0.225 4.322 4.527 0.034 0.000 0.297 1009 F C 2.158 177.772 175.800 -0.310 0.000 1.123 1009 F CA 1.829 59.685 58.000 -0.240 0.000 1.199 1009 F CB -0.439 38.462 39.000 -0.166 0.000 0.972 1009 F HN 0.103 nan 8.300 nan 0.000 0.474 1010 Q N -0.286 119.234 119.800 -0.467 0.000 2.152 1010 Q HA -0.265 4.095 4.340 0.033 0.000 0.206 1010 Q C 1.923 177.693 176.000 -0.384 0.000 0.985 1010 Q CA 1.831 57.338 55.803 -0.494 0.000 0.863 1010 Q CB -0.465 28.037 28.738 -0.394 0.000 0.904 1010 Q HN 0.517 nan 8.270 nan 0.000 0.422 1011 D N 0.532 120.749 120.400 -0.305 0.000 2.084 1011 D HA -0.153 4.507 4.640 0.033 0.000 0.194 1011 D C 1.700 177.810 176.300 -0.316 0.000 0.990 1011 D CA 0.961 54.816 54.000 -0.242 0.000 0.826 1011 D CB -0.005 40.691 40.800 -0.174 0.000 0.971 1011 D HN 0.078 nan 8.370 nan 0.000 0.453 1012 I N 0.726 121.045 120.570 -0.418 0.000 2.208 1012 I HA -0.264 3.926 4.170 0.033 0.000 0.245 1012 I C 2.713 178.492 176.117 -0.563 0.000 1.097 1012 I CA 0.602 61.595 61.300 -0.512 0.000 1.363 1012 I CB -1.430 36.164 38.000 -0.676 0.000 1.051 1012 I HN 0.244 nan 8.210 nan 0.000 0.413 1013 C N 0.234 119.144 119.300 -0.651 0.000 2.436 1013 C HA -0.119 4.361 4.460 0.033 0.000 0.277 1013 C C 3.033 177.652 174.990 -0.619 0.000 1.241 1013 C CA 0.579 59.182 59.018 -0.692 0.000 1.721 1013 C CB -0.862 26.476 27.740 -0.669 0.000 2.043 1013 C HN 0.335 nan 8.230 nan 0.000 0.472 1014 V N 1.073 120.739 119.914 -0.414 0.000 2.287 1014 V HA -0.252 3.888 4.120 0.033 0.000 0.248 1014 V C 2.449 178.423 176.094 -0.199 0.000 1.053 1014 V CA 1.940 64.091 62.300 -0.248 0.000 1.027 1014 V CB -0.612 31.133 31.823 -0.130 0.000 0.646 1014 V HN 0.583 nan 8.190 nan 0.000 0.447 1015 K N 0.170 120.434 120.400 -0.226 0.000 2.057 1015 K HA -0.141 4.199 4.320 0.033 0.000 0.207 1015 K C 2.295 178.784 176.600 -0.184 0.000 1.049 1015 K CA 1.531 57.714 56.287 -0.173 0.000 0.931 1015 K CB -0.423 31.973 32.500 -0.173 0.000 0.714 1015 K HN 0.483 nan 8.250 nan 0.000 0.440 1016 A N 0.799 123.425 122.820 -0.325 0.000 1.898 1016 A HA -0.193 4.147 4.320 0.033 0.000 0.216 1016 A C 2.071 179.691 177.584 0.059 0.000 1.181 1016 A CA 1.191 53.033 52.037 -0.326 0.000 0.620 1016 A CB -0.706 17.808 19.000 -0.810 0.000 0.819 1016 A HN 0.384 nan 8.150 nan 0.000 0.442 1017 Y N 0.691 120.795 120.300 -0.325 0.000 2.114 1017 Y HA -0.164 4.406 4.550 0.034 0.000 0.284 1017 Y C 1.939 177.739 175.900 -0.166 0.000 1.143 1017 Y CA 1.864 59.781 58.100 -0.305 0.000 1.135 1017 Y CB -0.439 37.640 38.460 -0.635 0.000 0.980 1017 Y HN 0.205 nan 8.280 nan 0.000 0.499 1018 L N -0.465 120.582 121.223 -0.293 0.000 2.201 1018 L HA -0.133 4.227 4.340 0.033 0.000 0.212 1018 L C 2.669 179.138 176.870 -0.668 0.000 1.105 1018 L CA 0.885 55.437 54.840 -0.481 0.000 0.775 1018 L CB -0.911 40.971 42.059 -0.295 0.000 0.913 1018 L HN 0.318 nan 8.230 nan 0.000 0.440 1019 A N 0.139 122.773 122.820 -0.309 0.000 1.969 1019 A HA -0.118 4.222 4.320 0.033 0.000 0.218 1019 A C 2.232 179.793 177.584 -0.039 0.000 1.169 1019 A CA 1.191 53.169 52.037 -0.099 0.000 0.635 1019 A CB -0.422 18.729 19.000 0.252 0.000 0.810 1019 A HN 0.364 nan 8.150 nan 0.000 0.445 1020 L N -1.340 119.838 121.223 -0.075 0.000 2.179 1020 L HA -0.066 4.294 4.340 0.033 0.000 0.208 1020 L C 2.635 179.420 176.870 -0.141 0.000 1.096 1020 L CA 0.802 55.574 54.840 -0.114 0.000 0.779 1020 L CB -0.429 41.565 42.059 -0.108 0.000 0.922 1020 L HN 0.352 nan 8.230 nan 0.000 0.443 1021 R N -0.683 119.628 120.500 -0.315 0.000 2.241 1021 R HA -0.126 4.234 4.340 0.033 0.000 0.224 1021 R C 1.553 177.789 176.300 -0.107 0.000 1.101 1021 R CA 0.795 56.725 56.100 -0.284 0.000 0.995 1021 R CB -0.328 29.720 30.300 -0.420 0.000 0.870 1021 R HN 0.552 nan 8.270 nan 0.000 0.463 1022 H N -1.327 117.697 119.070 -0.077 0.000 2.556 1022 H HA 0.055 4.631 4.556 0.033 0.000 0.268 1022 H C 0.441 175.565 175.328 -0.340 0.000 0.996 1022 H CA 0.221 56.177 56.048 -0.153 0.000 1.157 1022 H CB 0.296 29.993 29.762 -0.108 0.000 1.355 1022 H HN 0.269 nan 8.280 nan 0.000 0.597 1023 H N -1.264 117.808 119.070 0.004 0.000 2.904 1023 H HA 0.074 4.650 4.556 0.034 0.000 0.242 1023 H C 1.086 176.382 175.328 -0.054 0.000 1.193 1023 H CA 0.017 56.047 56.048 -0.030 0.000 0.946 1023 H CB 0.761 30.491 29.762 -0.054 0.000 2.135 1023 H HN 0.228 nan 8.280 nan 0.000 0.652 1024 T N 1.374 115.934 114.554 0.010 0.000 2.649 1024 T HA -0.214 4.156 4.350 0.033 0.000 0.268 1024 T C 1.912 176.606 174.700 -0.010 0.000 1.036 1024 T CA 1.895 63.978 62.100 -0.029 0.000 1.157 1024 T CB 0.080 68.915 68.868 -0.056 0.000 0.861 1024 T HN 0.427 nan 8.240 nan 0.000 0.445 1025 N N 0.983 119.683 118.700 0.000 0.000 2.084 1025 N HA 0.010 4.770 4.740 0.033 0.000 0.190 1025 N C 1.838 177.364 175.510 0.027 0.000 1.030 1025 N CA 0.636 53.693 53.050 0.011 0.000 0.849 1025 N CB -0.793 37.699 38.487 0.008 0.000 1.012 1025 N HN 0.290 nan 8.380 nan 0.000 0.423 1026 L N 0.806 122.054 121.223 0.041 0.000 1.990 1026 L HA -0.176 4.184 4.340 0.033 0.000 0.213 1026 L C 2.002 178.900 176.870 0.046 0.000 1.072 1026 L CA 1.379 56.246 54.840 0.044 0.000 0.755 1026 L CB -0.382 41.722 42.059 0.075 0.000 0.889 1026 L HN 0.176 nan 8.230 nan 0.000 0.432 1027 L N -0.732 120.511 121.223 0.033 0.000 2.017 1027 L HA -0.285 4.075 4.340 0.033 0.000 0.208 1027 L C 2.603 179.513 176.870 0.066 0.000 1.073 1027 L CA 0.905 55.761 54.840 0.026 0.000 0.745 1027 L CB -0.592 41.449 42.059 -0.030 0.000 0.894 1027 L HN 0.274 nan 8.230 nan 0.000 0.432 1028 I N -0.096 120.496 120.570 0.038 0.000 2.151 1028 I HA -0.321 3.869 4.170 0.033 0.000 0.243 1028 I C 2.588 178.780 176.117 0.126 0.000 1.080 1028 I CA 1.775 63.115 61.300 0.067 0.000 1.339 1028 I CB -0.828 37.188 38.000 0.027 0.000 1.039 1028 I HN 0.221 nan 8.210 nan 0.000 0.409 1029 I N 0.265 120.885 120.570 0.083 0.000 2.315 1029 I HA -0.227 3.963 4.170 0.033 0.000 0.248 1029 I C 2.410 178.577 176.117 0.084 0.000 1.117 1029 I CA 1.273 62.615 61.300 0.071 0.000 1.404 1029 I CB -0.122 37.905 38.000 0.045 0.000 1.071 1029 I HN 0.076 nan 8.210 nan 0.000 0.419 1030 L N -1.305 119.977 121.223 0.099 0.000 2.056 1030 L HA -0.208 4.152 4.340 0.033 0.000 0.207 1030 L C 2.442 179.380 176.870 0.113 0.000 1.078 1030 L CA 1.292 56.190 54.840 0.097 0.000 0.749 1030 L CB -0.814 41.303 42.059 0.096 0.000 0.901 1030 L HN 0.228 nan 8.230 nan 0.000 0.433 1031 F N 1.522 121.471 119.950 -0.001 0.000 2.065 1031 F HA -0.321 4.225 4.527 0.033 0.000 0.298 1031 F C 2.896 178.700 175.800 0.006 0.000 1.112 1031 F CA 1.966 59.966 58.000 0.000 0.000 1.212 1031 F CB -0.420 38.587 39.000 0.012 0.000 0.975 1031 F HN 0.133 nan 8.300 nan 0.000 0.476 1032 S N -0.312 115.440 115.700 0.086 0.000 2.447 1032 S HA -0.206 4.284 4.470 0.033 0.000 0.233 1032 S C 2.013 176.584 174.600 -0.048 0.000 1.006 1032 S CA 1.296 59.477 58.200 -0.031 0.000 0.957 1032 S CB -0.669 62.552 63.200 0.036 0.000 0.773 1032 S HN 0.518 nan 8.310 nan 0.000 0.507 1033 M N 0.622 120.223 119.600 0.003 0.000 2.193 1033 M HA 0.115 4.615 4.480 0.033 0.000 0.265 1033 M C 2.448 178.757 176.300 0.015 0.000 1.071 1033 M CA 1.449 56.799 55.300 0.083 0.000 1.140 1033 M CB -0.405 32.270 32.600 0.125 0.000 1.369 1033 M HN 0.455 nan 8.290 nan 0.000 0.423 1034 M N 1.062 120.621 119.600 -0.068 0.000 2.073 1034 M HA -0.260 4.240 4.480 0.033 0.000 0.258 1034 M C 1.853 178.053 176.300 -0.167 0.000 1.070 1034 M CA 1.943 57.163 55.300 -0.133 0.000 1.103 1034 M CB -0.279 32.215 32.600 -0.178 0.000 1.321 1034 M HN 0.225 nan 8.290 nan 0.000 0.405 1035 L N -0.340 120.728 121.223 -0.258 0.000 2.127 1035 L HA -0.219 4.141 4.340 0.033 0.000 0.211 1035 L C 2.471 179.282 176.870 -0.099 0.000 1.089 1035 L CA 1.332 56.036 54.840 -0.227 0.000 0.757 1035 L CB -0.644 41.224 42.059 -0.318 0.000 0.899 1035 L HN 0.540 nan 8.230 nan 0.000 0.434 1036 M N -1.071 118.509 119.600 -0.034 0.000 2.394 1036 M HA -0.052 4.448 4.480 0.033 0.000 0.266 1036 M C 2.039 178.342 176.300 0.004 0.000 1.098 1036 M CA 1.562 56.886 55.300 0.041 0.000 1.149 1036 M CB -0.180 32.521 32.600 0.169 0.000 1.369 1036 M HN 0.292 nan 8.290 nan 0.000 0.450 1037 T N -3.428 111.104 114.554 -0.037 0.000 3.086 1037 T HA 0.313 4.683 4.350 0.033 0.000 0.250 1037 T C 1.216 175.845 174.700 -0.119 0.000 1.074 1037 T CA 0.645 62.669 62.100 -0.126 0.000 0.988 1037 T CB 0.331 69.083 68.868 -0.194 0.000 0.988 1037 T HN 0.425 nan 8.240 nan 0.000 0.530 1038 G N 0.997 109.739 108.800 -0.097 0.000 2.686 1038 G HA2 0.205 4.185 3.960 0.033 0.000 0.158 1038 G HA3 0.205 4.185 3.960 0.033 0.000 0.158 1038 G C 0.672 175.531 174.900 -0.069 0.000 1.438 1038 G CA -0.343 44.703 45.100 -0.090 0.000 0.781 1038 G HN 0.380 nan 8.290 nan 0.000 1.041 1039 M N 1.658 121.214 119.600 -0.074 0.000 2.989 1039 M HA 0.306 4.806 4.480 0.033 0.000 0.307 1039 M C -2.587 173.694 176.300 -0.032 0.000 1.224 1039 M CA -2.301 52.967 55.300 -0.053 0.000 0.984 1039 M CB -0.311 32.241 32.600 -0.080 0.000 1.264 1039 M HN -0.191 nan 8.290 nan 0.000 0.525 1040 P HA -0.168 nan 4.420 nan 0.000 0.050 1040 P C 0.205 177.513 177.300 0.013 0.000 0.666 1040 P CA 1.230 64.325 63.100 -0.008 0.000 0.994 1040 P CB -0.688 31.003 31.700 -0.014 0.000 1.734 1041 Q N 0.225 120.036 119.800 0.019 0.000 2.155 1041 Q HA 0.199 4.559 4.340 0.033 0.000 0.278 1041 Q C -1.036 174.993 176.000 0.048 0.000 0.851 1041 Q CA -0.219 55.606 55.803 0.037 0.000 1.052 1041 Q CB 0.270 29.025 28.738 0.028 0.000 1.307 1041 Q HN 0.240 nan 8.270 nan 0.000 0.403 1042 L N 1.717 122.984 121.223 0.073 0.000 2.264 1042 L HA 0.515 4.875 4.340 0.033 0.000 0.287 1042 L C -0.652 176.292 176.870 0.124 0.000 1.039 1042 L CA 0.089 54.968 54.840 0.065 0.000 0.829 1042 L CB 1.633 43.708 42.059 0.028 0.000 1.211 1042 L HN 0.122 nan 8.230 nan 0.000 0.427 1043 T N 2.382 116.959 114.554 0.039 0.000 2.729 1043 T HA 0.096 4.466 4.350 0.033 0.000 0.296 1043 T C 0.918 175.478 174.700 -0.234 0.000 0.928 1043 T CA -0.137 61.930 62.100 -0.054 0.000 1.045 1043 T CB 0.601 69.482 68.868 0.020 0.000 0.902 1043 T HN 0.706 nan 8.240 nan 0.000 0.500 1044 S N 5.250 120.595 115.700 -0.591 0.000 3.110 1044 S HA 0.128 4.618 4.470 0.033 0.000 0.253 1044 S C 0.780 175.221 174.600 -0.266 0.000 1.074 1044 S CA 0.320 58.250 58.200 -0.451 0.000 1.201 1044 S CB -0.355 62.452 63.200 -0.655 0.000 0.889 1044 S HN 0.722 nan 8.310 nan 0.000 0.490 1045 K N -0.196 120.108 120.400 -0.159 0.000 2.548 1045 K HA 0.143 4.483 4.320 0.033 0.000 0.301 1045 K C 1.079 177.676 176.600 -0.005 0.000 1.874 1045 K CA -0.462 55.780 56.287 -0.075 0.000 1.033 1045 K CB -0.176 32.280 32.500 -0.074 0.000 3.154 1045 K HN -0.102 nan 8.250 nan 0.000 0.919 1046 E N 2.248 122.457 120.200 0.015 0.000 2.108 1046 E HA -0.242 4.128 4.350 0.033 0.000 0.203 1046 E C 1.383 178.049 176.600 0.110 0.000 1.022 1046 E CA 2.256 58.693 56.400 0.061 0.000 0.823 1046 E CB -0.261 29.477 29.700 0.063 0.000 0.744 1046 E HN 0.284 nan 8.360 nan 0.000 0.456 1047 D N 0.152 120.611 120.400 0.098 0.000 2.088 1047 D HA -0.153 4.507 4.640 0.033 0.000 0.191 1047 D C 1.984 178.448 176.300 0.273 0.000 0.992 1047 D CA 1.014 55.102 54.000 0.147 0.000 0.831 1047 D CB -0.295 40.545 40.800 0.067 0.000 0.973 1047 D HN 0.117 nan 8.370 nan 0.000 0.447 1048 I N 1.370 122.058 120.570 0.196 0.000 2.335 1048 I HA -0.207 3.983 4.170 0.033 0.000 0.251 1048 I C 2.028 178.333 176.117 0.312 0.000 1.129 1048 I CA 1.133 62.617 61.300 0.306 0.000 1.402 1048 I CB -1.102 36.969 38.000 0.119 0.000 1.069 1048 I HN 0.129 nan 8.210 nan 0.000 0.424 1049 E N -0.165 120.139 120.200 0.172 0.000 2.338 1049 E HA -0.242 4.128 4.350 0.033 0.000 0.197 1049 E C 2.035 178.668 176.600 0.054 0.000 1.007 1049 E CA 0.656 57.107 56.400 0.085 0.000 0.849 1049 E CB -0.302 29.428 29.700 0.050 0.000 0.774 1049 E HN 0.547 nan 8.360 nan 0.000 0.506 1050 Y N 1.380 121.696 120.300 0.026 0.000 2.128 1050 Y HA -0.268 4.302 4.550 0.034 0.000 0.284 1050 Y C 2.120 177.882 175.900 -0.230 0.000 1.154 1050 Y CA 1.651 59.717 58.100 -0.057 0.000 1.149 1050 Y CB -0.177 38.288 38.460 0.009 0.000 0.976 1050 Y HN 0.020 nan 8.280 nan 0.000 0.505 1051 I N 0.147 120.500 120.570 -0.362 0.000 2.530 1051 I HA -0.295 3.895 4.170 0.033 0.000 0.257 1051 I C 2.585 178.483 176.117 -0.366 0.000 1.179 1051 I CA 1.350 62.304 61.300 -0.575 0.000 1.440 1051 I CB -0.272 37.164 38.000 -0.940 0.000 1.087 1051 I HN 0.268 nan 8.210 nan 0.000 0.440 1052 R N 0.822 121.175 120.500 -0.245 0.000 2.061 1052 R HA -0.191 4.169 4.340 0.033 0.000 0.230 1052 R C 1.948 178.126 176.300 -0.204 0.000 1.140 1052 R CA 2.239 58.238 56.100 -0.169 0.000 0.940 1052 R CB -0.257 29.983 30.300 -0.101 0.000 0.839 1052 R HN 0.337 nan 8.270 nan 0.000 0.429 1053 D N 0.219 120.470 120.400 -0.248 0.000 2.097 1053 D HA -0.149 4.511 4.640 0.033 0.000 0.195 1053 D C 1.747 177.882 176.300 -0.274 0.000 0.989 1053 D CA 1.651 55.504 54.000 -0.246 0.000 0.827 1053 D CB -0.386 40.272 40.800 -0.237 0.000 0.966 1053 D HN 0.426 nan 8.370 nan 0.000 0.456 1054 A N 0.572 123.098 122.820 -0.489 0.000 1.972 1054 A HA -0.092 4.248 4.320 0.033 0.000 0.219 1054 A C 2.225 179.818 177.584 0.016 0.000 1.169 1054 A CA 0.769 52.546 52.037 -0.432 0.000 0.635 1054 A CB -0.653 17.809 19.000 -0.897 0.000 0.810 1054 A HN 0.239 nan 8.150 nan 0.000 0.446 1055 L N -0.855 120.310 121.223 -0.097 0.000 2.591 1055 L HA 0.017 4.377 4.340 0.033 0.000 0.228 1055 L C 1.129 177.961 176.870 -0.064 0.000 1.133 1055 L CA 0.638 55.449 54.840 -0.048 0.000 0.880 1055 L CB -0.123 41.855 42.059 -0.136 0.000 1.033 1055 L HN 0.455 nan 8.230 nan 0.000 0.450 1056 T N -0.253 114.245 114.554 -0.093 0.000 3.720 1056 T HA -0.174 4.196 4.350 0.033 0.000 0.381 1056 T C 0.315 174.931 174.700 -0.140 0.000 0.763 1056 T CA 0.030 62.012 62.100 -0.196 0.000 1.957 1056 T CB -1.196 67.519 68.868 -0.255 0.000 1.767 1056 T HN 0.050 nan 8.240 nan 0.000 0.743 1057 V N 1.523 121.362 119.914 -0.125 0.000 2.901 1057 V HA 0.441 4.581 4.120 0.033 0.000 0.307 1057 V C 1.985 178.032 176.094 -0.079 0.000 1.084 1057 V CA 1.534 63.777 62.300 -0.095 0.000 1.184 1057 V CB 0.689 32.461 31.823 -0.084 0.000 0.941 1057 V HN 1.305 nan 8.190 nan 0.000 0.493 1058 G N 4.003 112.767 108.800 -0.060 0.000 3.226 1058 G HA2 -0.205 3.775 3.960 0.033 0.000 0.270 1058 G HA3 -0.205 3.775 3.960 0.033 0.000 0.270 1058 G C 0.264 175.140 174.900 -0.041 0.000 1.592 1058 G CA 0.004 45.076 45.100 -0.046 0.000 1.055 1058 G HN 0.709 nan 8.290 nan 0.000 0.582 1059 K N 2.024 122.398 120.400 -0.043 0.000 2.391 1059 K HA -0.149 4.191 4.320 0.033 0.000 0.251 1059 K C 1.020 177.609 176.600 -0.017 0.000 1.016 1059 K CA 1.382 57.651 56.287 -0.030 0.000 0.971 1059 K CB -0.397 32.078 32.500 -0.041 0.000 0.830 1059 K HN 1.067 nan 8.250 nan 0.000 0.487 1060 N N -0.001 118.699 118.700 -0.000 0.000 2.518 1060 N HA 0.103 4.863 4.740 0.033 0.000 0.284 1060 N C 0.594 176.117 175.510 0.021 0.000 1.230 1060 N CA -0.595 52.459 53.050 0.008 0.000 0.941 1060 N CB 0.975 39.469 38.487 0.012 0.000 1.219 1060 N HN 0.404 nan 8.380 nan 0.000 0.560 1061 E N 0.286 120.502 120.200 0.026 0.000 2.085 1061 E HA -0.205 4.165 4.350 0.033 0.000 0.194 1061 E C 1.195 177.828 176.600 0.055 0.000 0.994 1061 E CA 1.553 57.975 56.400 0.036 0.000 0.801 1061 E CB 0.060 29.786 29.700 0.045 0.000 0.743 1061 E HN 0.629 nan 8.360 nan 0.000 0.453 1062 E N 0.556 120.785 120.200 0.049 0.000 2.051 1062 E HA -0.181 4.189 4.350 0.033 0.000 0.192 1062 E C 1.725 178.372 176.600 0.078 0.000 0.991 1062 E CA 1.145 57.578 56.400 0.055 0.000 0.799 1062 E CB -0.005 29.720 29.700 0.040 0.000 0.748 1062 E HN 0.200 nan 8.360 nan 0.000 0.449 1063 D N 0.251 120.696 120.400 0.074 0.000 2.264 1063 D HA -0.072 4.588 4.640 0.033 0.000 0.208 1063 D C 1.694 178.089 176.300 0.159 0.000 0.966 1063 D CA 0.901 54.959 54.000 0.096 0.000 0.864 1063 D CB -0.089 40.748 40.800 0.062 0.000 0.933 1063 D HN 0.157 nan 8.370 nan 0.000 0.499 1064 A N 1.062 123.980 122.820 0.163 0.000 1.854 1064 A HA -0.163 4.177 4.320 0.033 0.000 0.214 1064 A C 2.103 179.929 177.584 0.402 0.000 1.192 1064 A CA 1.487 53.702 52.037 0.296 0.000 0.611 1064 A CB -0.406 18.710 19.000 0.193 0.000 0.832 1064 A HN 0.127 nan 8.150 nan 0.000 0.442 1065 K N 0.088 120.641 120.400 0.255 0.000 2.032 1065 K HA -0.203 4.137 4.320 0.033 0.000 0.209 1065 K C 2.033 178.740 176.600 0.178 0.000 1.048 1065 K CA 1.874 58.281 56.287 0.200 0.000 0.927 1065 K CB -0.192 32.370 32.500 0.104 0.000 0.712 1065 K HN 0.449 nan 8.250 nan 0.000 0.441 1066 K N -0.440 120.053 120.400 0.156 0.000 2.032 1066 K HA -0.233 4.107 4.320 0.033 0.000 0.209 1066 K C 2.172 178.856 176.600 0.140 0.000 1.048 1066 K CA 1.946 58.306 56.287 0.121 0.000 0.927 1066 K CB -0.472 32.092 32.500 0.107 0.000 0.712 1066 K HN 0.264 nan 8.250 nan 0.000 0.441 1067 Y N 0.553 120.895 120.300 0.069 0.000 2.114 1067 Y HA -0.317 4.255 4.550 0.035 0.000 0.282 1067 Y C 2.097 177.965 175.900 -0.053 0.000 1.165 1067 Y CA 1.621 59.744 58.100 0.038 0.000 1.148 1067 Y CB -0.288 38.239 38.460 0.111 0.000 0.972 1067 Y HN 0.003 nan 8.280 nan 0.000 0.504 1068 F N -0.264 119.586 119.950 -0.167 0.000 2.113 1068 F HA -0.206 4.340 4.527 0.033 0.000 0.297 1068 F C 2.020 177.640 175.800 -0.300 0.000 1.103 1068 F CA 1.091 58.825 58.000 -0.443 0.000 1.248 1068 F CB -0.438 38.233 39.000 -0.549 0.000 0.999 1068 F HN 0.011 nan 8.300 nan 0.000 0.475 1069 L N 0.127 121.339 121.223 -0.017 0.000 2.129 1069 L HA -0.256 4.104 4.340 0.033 0.000 0.212 1069 L C 1.833 178.634 176.870 -0.114 0.000 1.087 1069 L CA 1.745 56.565 54.840 -0.033 0.000 0.757 1069 L CB -1.508 40.561 42.059 0.017 0.000 0.896 1069 L HN 0.169 nan 8.230 nan 0.000 0.434 1070 D N -1.139 119.148 120.400 -0.188 0.000 2.149 1070 D HA -0.130 4.530 4.640 0.033 0.000 0.201 1070 D C 2.326 178.428 176.300 -0.330 0.000 0.972 1070 D CA 0.535 54.409 54.000 -0.211 0.000 0.835 1070 D CB 0.104 40.785 40.800 -0.198 0.000 0.966 1070 D HN 0.237 nan 8.370 nan 0.000 0.476 1071 Q N 0.236 119.711 119.800 -0.541 0.000 2.084 1071 Q HA -0.091 4.269 4.340 0.033 0.000 0.202 1071 Q C 2.273 177.950 176.000 -0.539 0.000 0.978 1071 Q CA 0.571 55.972 55.803 -0.669 0.000 0.844 1071 Q CB -0.257 27.854 28.738 -1.045 0.000 0.898 1071 Q HN 0.354 nan 8.270 nan 0.000 0.426 1072 I N 1.295 121.673 120.570 -0.319 0.000 2.335 1072 I HA -0.214 3.976 4.170 0.033 0.000 0.251 1072 I C 1.982 178.056 176.117 -0.071 0.000 1.129 1072 I CA 1.208 62.482 61.300 -0.043 0.000 1.402 1072 I CB -0.709 37.397 38.000 0.177 0.000 1.069 1072 I HN 0.214 nan 8.210 nan 0.000 0.424 1073 E N 0.556 120.694 120.200 -0.103 0.000 2.072 1073 E HA -0.091 4.279 4.350 0.033 0.000 0.190 1073 E C 2.449 178.964 176.600 -0.143 0.000 0.982 1073 E CA 0.759 57.113 56.400 -0.077 0.000 0.803 1073 E CB -0.318 29.346 29.700 -0.060 0.000 0.755 1073 E HN 0.287 nan 8.360 nan 0.000 0.453 1074 V N 0.782 120.565 119.914 -0.217 0.000 2.469 1074 V HA -0.292 3.848 4.120 0.033 0.000 0.251 1074 V C 2.527 178.477 176.094 -0.240 0.000 1.064 1074 V CA 1.487 63.654 62.300 -0.221 0.000 1.066 1074 V CB -0.675 30.989 31.823 -0.265 0.000 0.667 1074 V HN 0.294 nan 8.190 nan 0.000 0.461 1075 C N -0.415 118.690 119.300 -0.325 0.000 2.440 1075 C HA -0.068 4.412 4.460 0.033 0.000 0.278 1075 C C 2.944 177.813 174.990 -0.202 0.000 1.295 1075 C CA 0.523 59.350 59.018 -0.319 0.000 1.738 1075 C CB -1.070 26.411 27.740 -0.431 0.000 1.987 1075 C HN 0.477 nan 8.230 nan 0.000 0.492 1076 R N 1.124 121.532 120.500 -0.153 0.000 2.092 1076 R HA -0.071 4.289 4.340 0.033 0.000 0.231 1076 R C 1.509 177.747 176.300 -0.103 0.000 1.119 1076 R CA 1.293 57.322 56.100 -0.119 0.000 0.970 1076 R CB -0.954 29.293 30.300 -0.089 0.000 0.864 1076 R HN 0.603 nan 8.270 nan 0.000 0.440 1077 D N 0.333 120.674 120.400 -0.098 0.000 2.224 1077 D HA -0.117 4.543 4.640 0.033 0.000 0.205 1077 D C 1.695 177.956 176.300 -0.065 0.000 0.965 1077 D CA 0.883 54.839 54.000 -0.073 0.000 0.852 1077 D CB 0.044 40.801 40.800 -0.072 0.000 0.947 1077 D HN 0.041 nan 8.370 nan 0.000 0.494 1078 K N 0.587 120.935 120.400 -0.087 0.000 2.305 1078 K HA 0.068 4.408 4.320 0.033 0.000 0.199 1078 K C 1.347 177.921 176.600 -0.043 0.000 1.047 1078 K CA 0.917 57.165 56.287 -0.065 0.000 0.976 1078 K CB -0.111 32.337 32.500 -0.088 0.000 0.765 1078 K HN 0.086 nan 8.250 nan 0.000 0.474 1079 G N 0.480 109.226 108.800 -0.091 0.000 2.704 1079 G HA2 -0.362 3.618 3.960 0.033 0.000 0.344 1079 G HA3 -0.362 3.618 3.960 0.033 0.000 0.344 1079 G C 0.758 175.554 174.900 -0.174 0.000 1.200 1079 G CA 0.871 45.896 45.100 -0.126 0.000 0.962 1079 G HN 0.499 nan 8.290 nan 0.000 0.552 1080 W N 1.395 122.708 121.300 0.022 0.000 3.005 1080 W HA 0.406 5.086 4.660 0.034 0.000 0.374 1080 W C 2.535 179.124 176.519 0.117 0.000 1.076 1080 W CA 0.512 57.894 57.345 0.061 0.000 1.794 1080 W CB 0.227 29.778 29.460 0.151 0.000 1.113 1080 W HN 0.456 nan 8.180 nan 0.000 0.584 1081 T N 0.501 115.206 114.554 0.252 0.000 2.622 1081 T HA -0.236 4.134 4.350 0.033 0.000 0.266 1081 T C 1.865 176.647 174.700 0.136 0.000 1.047 1081 T CA 1.829 64.027 62.100 0.163 0.000 1.159 1081 T CB -0.769 68.133 68.868 0.057 0.000 0.863 1081 T HN -0.079 nan 8.240 nan 0.000 0.422 1082 V N 1.464 121.420 119.914 0.071 0.000 2.343 1082 V HA -0.167 3.973 4.120 0.033 0.000 0.247 1082 V C 2.843 178.992 176.094 0.093 0.000 1.051 1082 V CA 1.438 63.736 62.300 -0.004 0.000 1.036 1082 V CB -0.727 31.133 31.823 0.062 0.000 0.654 1082 V HN 0.324 nan 8.190 nan 0.000 0.451 1083 Q N -0.543 119.409 119.800 0.254 0.000 2.045 1083 Q HA -0.230 4.130 4.340 0.033 0.000 0.206 1083 Q C 2.140 178.328 176.000 0.313 0.000 0.991 1083 Q CA 2.194 58.206 55.803 0.348 0.000 0.851 1083 Q CB -0.658 28.214 28.738 0.224 0.000 0.911 1083 Q HN 0.662 nan 8.270 nan 0.000 0.418 1084 F N 1.744 121.848 119.950 0.257 0.000 2.134 1084 F HA -0.189 4.358 4.527 0.033 0.000 0.299 1084 F C 1.915 177.236 175.800 -0.799 0.000 1.097 1084 F CA 1.404 59.398 58.000 -0.010 0.000 1.264 1084 F CB -0.238 38.889 39.000 0.211 0.000 1.001 1084 F HN 0.151 nan 8.300 nan 0.000 0.479 1085 N N -0.182 118.346 118.700 -0.288 0.000 2.519 1085 N HA -0.222 4.538 4.740 0.033 0.000 0.186 1085 N C 0.290 175.366 175.510 -0.723 0.000 1.062 1085 N CA 0.652 53.433 53.050 -0.448 0.000 0.910 1085 N CB -0.588 37.689 38.487 -0.350 0.000 0.958 1085 N HN 0.398 nan 8.380 nan 0.000 0.445 1086 W N 1.056 121.952 121.300 -0.673 0.000 2.888 1086 W HA 0.135 4.815 4.660 0.033 0.000 0.412 1086 W C -0.676 175.755 176.519 -0.147 0.000 0.916 1086 W CA -0.380 56.800 57.345 -0.275 0.000 2.070 1086 W CB -0.976 28.587 29.460 0.172 0.000 0.838 1086 W HN -0.066 nan 8.180 nan 0.000 0.717 1087 F N -0.254 119.759 119.950 0.105 0.000 2.775 1087 F HA 0.550 5.097 4.527 0.034 0.000 0.339 1087 F C -1.137 174.641 175.800 -0.036 0.000 1.159 1087 F CA -1.396 56.620 58.000 0.027 0.000 1.145 1087 F CB 0.038 39.004 39.000 -0.057 0.000 1.408 1087 F HN -0.266 nan 8.300 nan 0.000 0.597 1088 L N 0.000 121.322 121.223 0.165 0.000 2.949 1088 L HA 0.000 4.360 4.340 0.033 0.000 0.249 1088 L CA 0.000 54.897 54.840 0.095 0.000 0.813 1088 L CB 0.000 42.082 42.059 0.039 0.000 0.961 1088 L HN 0.000 nan 8.230 nan 0.000 0.502