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 1kxp_1_D DATA FIRST_RESID 17 DATA SEQUENCE LERGRDYEKN KVcKEFSHLG KEDFTSLSLV LYSRKFPSGT FEQVSQLVKE DATA SEQUENCE VVSLTEAccA EGADPDcYDT RTSALSAKSC ESNSPFPVHP XXXXXXXXXX DATA SEQUENCE XXXXXXXXXL KHQPQEFPTY VEPTNDEIcE AFRKDPKEYA NQFMWEYSTN DATA SEQUENCE YGQAPLSLLV SYTKSYLSMV GSccTSASPT VcFLKERLQL KHLSLLTTLS DATA SEQUENCE NRVcSQYAAY GEKKSRLSNL IKLAQKVPTA DLEDVLPLAE DITNILSKcc DATA SEQUENCE ESASEDcMAK ELPEHTVKLc DNLSTKNSKF EDccQEKTAM DVFVcTYFMP DATA SEQUENCE AAQLPELPDV ELPTNKDVcD PGNTKVMDKY TFELSRRTHL PEVFLSKVLE DATA SEQUENCE PTLKSLGEcc DVEDSTTcFN AKGPLLKKEL SSFIDKGQEL cADYSENTFT DATA SEQUENCE EYKKKLAERL KAKLPDATPK ELAKLVNKRS DFASNccSIN SPPLYcDSEI DATA SEQUENCE DAELKNI 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.844 176.870 -0.044 0.000 1.165 17 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 17 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 18 E N 4.027 124.202 120.200 -0.042 0.000 2.313 18 E HA 0.335 4.685 4.350 -0.000 0.000 0.276 18 E C -0.298 176.260 176.600 -0.070 0.000 1.031 18 E CA -0.612 55.752 56.400 -0.060 0.000 0.857 18 E CB 0.796 30.472 29.700 -0.040 0.000 1.040 18 E HN 0.318 nan 8.360 nan 0.000 0.408 19 R N 0.899 121.320 120.500 -0.133 0.000 2.698 19 R HA 0.109 4.448 4.340 -0.000 0.000 0.266 19 R C 0.769 177.050 176.300 -0.033 0.000 1.026 19 R CA 0.033 56.041 56.100 -0.153 0.000 1.102 19 R CB -0.084 29.941 30.300 -0.459 0.000 0.978 19 R HN 0.592 nan 8.270 nan 0.000 0.436 20 G N 0.907 109.732 108.800 0.042 0.000 2.636 20 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.246 20 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.246 20 G C 0.995 175.943 174.900 0.080 0.000 1.216 20 G CA -0.327 44.809 45.100 0.060 0.000 0.854 20 G HN 0.690 nan 8.290 nan 0.000 0.572 21 R N -0.316 120.220 120.500 0.059 0.000 2.117 21 R HA -0.115 4.224 4.340 -0.000 0.000 0.243 21 R C 0.306 176.653 176.300 0.079 0.000 1.143 21 R CA 1.943 58.081 56.100 0.062 0.000 0.968 21 R CB -0.198 30.129 30.300 0.045 0.000 0.863 21 R HN 0.471 nan 8.270 nan 0.000 0.444 22 D N -0.048 120.394 120.400 0.069 0.000 2.587 22 D HA 0.030 4.670 4.640 -0.000 0.000 0.233 22 D C 0.415 176.740 176.300 0.042 0.000 1.213 22 D CA -0.168 53.855 54.000 0.039 0.000 0.827 22 D CB 0.066 40.864 40.800 -0.003 0.000 1.006 22 D HN 0.247 nan 8.370 nan 0.000 0.490 23 Y N 1.656 121.946 120.300 -0.017 0.000 2.070 23 Y HA -0.244 4.306 4.550 -0.000 0.000 0.280 23 Y C 1.972 177.854 175.900 -0.031 0.000 1.148 23 Y CA 1.691 59.780 58.100 -0.018 0.000 1.125 23 Y CB 0.237 38.696 38.460 -0.001 0.000 0.975 23 Y HN -0.074 nan 8.280 nan 0.000 0.492 24 E N 0.718 120.940 120.200 0.037 0.000 2.033 24 E HA -0.289 4.060 4.350 -0.000 0.000 0.199 24 E C 2.227 178.692 176.600 -0.224 0.000 1.011 24 E CA 1.728 58.100 56.400 -0.047 0.000 0.815 24 E CB -0.563 29.216 29.700 0.131 0.000 0.755 24 E HN 0.510 nan 8.360 nan 0.000 0.451 25 K N 0.687 120.887 120.400 -0.333 0.000 2.044 25 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 25 K C 1.711 178.015 176.600 -0.494 0.000 1.049 25 K CA 1.618 57.434 56.287 -0.786 0.000 0.927 25 K CB -0.058 32.038 32.500 -0.674 0.000 0.713 25 K HN -0.002 nan 8.250 nan 0.000 0.443 26 N N 1.129 119.645 118.700 -0.307 0.000 2.309 26 N HA -0.157 4.583 4.740 -0.000 0.000 0.182 26 N C 1.608 176.980 175.510 -0.230 0.000 1.018 26 N CA 0.948 53.862 53.050 -0.226 0.000 0.876 26 N CB -0.113 38.281 38.487 -0.155 0.000 0.972 26 N HN 0.353 nan 8.380 nan 0.000 0.434 27 K N 1.129 121.342 120.400 -0.311 0.000 2.001 27 K HA -0.033 4.287 4.320 -0.000 0.000 0.208 27 K C 1.814 178.343 176.600 -0.119 0.000 1.048 27 K CA 0.897 57.017 56.287 -0.278 0.000 0.932 27 K CB 0.016 32.263 32.500 -0.422 0.000 0.715 27 K HN -0.142 nan 8.250 nan 0.000 0.437 28 V N 1.168 121.022 119.914 -0.099 0.000 2.295 28 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 28 V C 2.566 178.656 176.094 -0.006 0.000 1.049 28 V CA 1.802 64.131 62.300 0.048 0.000 1.024 28 V CB -0.543 31.339 31.823 0.097 0.000 0.648 28 V HN 0.532 nan 8.190 nan 0.000 0.447 29 c N -0.439 118.083 118.600 -0.129 0.000 2.403 29 c HA -0.215 4.355 4.570 -0.000 0.000 0.277 29 c C 2.798 176.893 174.090 0.007 0.000 1.248 29 c CA 1.396 57.667 56.329 -0.097 0.000 1.762 29 c CB -1.002 41.422 42.510 -0.144 0.000 2.014 29 c HN 0.537 nan 8.230 nan 0.000 0.486 30 K N 0.652 121.045 120.400 -0.012 0.000 2.025 30 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 30 K C 2.163 178.817 176.600 0.089 0.000 1.049 30 K CA 1.735 58.033 56.287 0.019 0.000 0.933 30 K CB -0.195 32.287 32.500 -0.030 0.000 0.714 30 K HN 0.728 nan 8.250 nan 0.000 0.438 31 E N -0.094 120.182 120.200 0.126 0.000 2.150 31 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 31 E C 1.936 178.690 176.600 0.257 0.000 0.985 31 E CA 0.886 57.426 56.400 0.233 0.000 0.814 31 E CB -0.447 29.431 29.700 0.297 0.000 0.752 31 E HN 0.261 nan 8.360 nan 0.000 0.466 32 F N 3.262 123.170 119.950 -0.071 0.000 2.102 32 F HA -0.199 4.327 4.527 -0.000 0.000 0.298 32 F C 2.508 178.237 175.800 -0.119 0.000 1.105 32 F CA 2.014 59.801 58.000 -0.354 0.000 1.239 32 F CB -0.324 38.254 39.000 -0.704 0.000 0.991 32 F HN 0.109 nan 8.300 nan 0.000 0.474 33 S N -1.470 114.215 115.700 -0.026 0.000 2.387 33 S HA -0.241 4.229 4.470 -0.000 0.000 0.226 33 S C 1.983 176.550 174.600 -0.056 0.000 1.026 33 S CA 1.278 59.431 58.200 -0.078 0.000 0.972 33 S CB -1.028 62.201 63.200 0.048 0.000 0.814 33 S HN 0.669 nan 8.310 nan 0.000 0.477 34 H N 1.532 120.567 119.070 -0.058 0.000 2.363 34 H HA 0.239 4.795 4.556 -0.000 0.000 0.301 34 H C 1.749 177.054 175.328 -0.038 0.000 1.074 34 H CA 1.732 57.761 56.048 -0.032 0.000 1.354 34 H CB -0.272 29.491 29.762 0.002 0.000 1.397 34 H HN 0.361 nan 8.280 nan 0.000 0.516 35 L N -1.094 120.075 121.223 -0.089 0.000 2.202 35 L HA 0.254 4.594 4.340 -0.000 0.000 0.205 35 L C 0.936 177.714 176.870 -0.152 0.000 1.083 35 L CA 0.346 55.120 54.840 -0.111 0.000 0.790 35 L CB -0.223 41.887 42.059 0.086 0.000 0.942 35 L HN 0.564 nan 8.230 nan 0.000 0.452 36 G N 0.220 108.864 108.800 -0.259 0.000 2.617 36 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 36 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 36 G C 0.097 174.797 174.900 -0.333 0.000 1.214 36 G CA -0.015 44.888 45.100 -0.329 0.000 0.796 36 G HN 0.074 nan 8.290 nan 0.000 0.654 37 K N 0.057 120.223 120.400 -0.389 0.000 2.074 37 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 37 K C 2.150 178.828 176.600 0.130 0.000 1.048 37 K CA 2.390 58.630 56.287 -0.079 0.000 0.926 37 K CB -0.114 32.427 32.500 0.069 0.000 0.713 37 K HN 0.472 nan 8.250 nan 0.000 0.444 38 E N 1.064 121.300 120.200 0.060 0.000 2.028 38 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 38 E C 1.458 178.120 176.600 0.103 0.000 0.988 38 E CA 2.008 58.460 56.400 0.087 0.000 0.799 38 E CB -0.187 29.544 29.700 0.052 0.000 0.755 38 E HN 0.304 nan 8.360 nan 0.000 0.447 39 D N -0.779 119.665 120.400 0.074 0.000 2.178 39 D HA -0.132 4.507 4.640 -0.000 0.000 0.201 39 D C 1.489 177.863 176.300 0.123 0.000 0.980 39 D CA 0.680 54.726 54.000 0.078 0.000 0.842 39 D CB -0.268 40.556 40.800 0.039 0.000 0.948 39 D HN 0.202 nan 8.370 nan 0.000 0.472 40 F N 0.918 120.889 119.950 0.035 0.000 2.234 40 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 40 F C 2.131 178.022 175.800 0.151 0.000 1.087 40 F CA 1.100 59.167 58.000 0.111 0.000 1.340 40 F CB -0.256 38.853 39.000 0.182 0.000 1.031 40 F HN -0.143 nan 8.300 nan 0.000 0.500 41 T N -0.797 113.876 114.554 0.197 0.000 2.777 41 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 41 T C 2.192 176.917 174.700 0.042 0.000 1.040 41 T CA 1.569 63.741 62.100 0.119 0.000 1.141 41 T CB -0.399 68.569 68.868 0.167 0.000 0.868 41 T HN 0.214 nan 8.240 nan 0.000 0.444 42 S N 1.504 117.240 115.700 0.060 0.000 2.368 42 S HA -0.039 4.431 4.470 -0.000 0.000 0.225 42 S C 1.963 176.575 174.600 0.020 0.000 1.030 42 S CA 0.739 58.978 58.200 0.065 0.000 0.999 42 S CB -0.506 62.742 63.200 0.080 0.000 0.844 42 S HN 0.317 nan 8.310 nan 0.000 0.459 43 L N 2.016 123.212 121.223 -0.044 0.000 2.012 43 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 43 L C 2.131 178.926 176.870 -0.124 0.000 1.073 43 L CA 1.880 56.664 54.840 -0.094 0.000 0.748 43 L CB -1.040 40.926 42.059 -0.155 0.000 0.891 43 L HN 0.143 nan 8.230 nan 0.000 0.431 44 S N -0.319 115.257 115.700 -0.205 0.000 2.368 44 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 44 S C 1.830 176.527 174.600 0.161 0.000 1.030 44 S CA 1.483 59.659 58.200 -0.040 0.000 0.999 44 S CB -0.671 62.486 63.200 -0.071 0.000 0.844 44 S HN 0.477 nan 8.310 nan 0.000 0.459 45 L N 1.993 123.283 121.223 0.111 0.000 2.042 45 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 45 L C 2.178 179.149 176.870 0.168 0.000 1.076 45 L CA 1.609 56.552 54.840 0.171 0.000 0.749 45 L CB -0.748 41.411 42.059 0.166 0.000 0.893 45 L HN 0.137 nan 8.230 nan 0.000 0.432 46 V N -0.542 119.426 119.914 0.091 0.000 2.307 46 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 46 V C 2.519 178.616 176.094 0.004 0.000 1.045 46 V CA 1.882 64.210 62.300 0.046 0.000 1.024 46 V CB -0.550 31.285 31.823 0.022 0.000 0.651 46 V HN 0.538 nan 8.190 nan 0.000 0.449 47 L N -1.176 120.020 121.223 -0.045 0.000 2.012 47 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 47 L C 2.417 179.144 176.870 -0.239 0.000 1.073 47 L CA 2.063 56.795 54.840 -0.180 0.000 0.748 47 L CB -0.262 41.623 42.059 -0.289 0.000 0.891 47 L HN 0.331 nan 8.230 nan 0.000 0.431 48 Y N -1.081 119.245 120.300 0.044 0.000 2.395 48 Y HA -0.094 4.456 4.550 -0.000 0.000 0.293 48 Y C 2.752 178.774 175.900 0.204 0.000 1.123 48 Y CA 1.100 59.285 58.100 0.142 0.000 1.227 48 Y CB -0.109 38.440 38.460 0.149 0.000 1.012 48 Y HN 0.165 nan 8.280 nan 0.000 0.552 49 S N -0.141 115.716 115.700 0.262 0.000 2.383 49 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 49 S C 2.033 176.650 174.600 0.028 0.000 1.026 49 S CA 1.133 59.461 58.200 0.214 0.000 0.981 49 S CB -0.212 63.083 63.200 0.160 0.000 0.818 49 S HN 0.390 nan 8.310 nan 0.000 0.472 50 R N 1.541 122.005 120.500 -0.061 0.000 2.096 50 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 50 R C 2.275 178.340 176.300 -0.392 0.000 1.127 50 R CA 1.483 57.471 56.100 -0.187 0.000 0.968 50 R CB -0.128 30.081 30.300 -0.152 0.000 0.861 50 R HN 0.251 nan 8.270 nan 0.000 0.440 51 K N -0.634 119.563 120.400 -0.337 0.000 2.155 51 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 51 K C -0.366 175.855 176.600 -0.630 0.000 1.052 51 K CA 0.872 56.819 56.287 -0.567 0.000 0.948 51 K CB 0.216 32.433 32.500 -0.471 0.000 0.728 51 K HN 0.091 nan 8.250 nan 0.000 0.448 52 F N 0.699 120.648 119.950 -0.002 0.000 2.449 52 F HA 0.311 4.838 4.527 -0.000 0.000 0.344 52 F C -2.050 173.784 175.800 0.057 0.000 1.180 52 F CA -2.396 55.675 58.000 0.118 0.000 1.209 52 F CB 1.582 40.693 39.000 0.185 0.000 1.440 52 F HN -0.031 nan 8.300 nan 0.000 0.526 53 P HA -0.171 nan 4.420 nan 0.000 0.217 53 P C 1.271 178.623 177.300 0.086 0.000 1.148 53 P CA 1.481 64.590 63.100 0.015 0.000 0.828 53 P CB 0.263 31.959 31.700 -0.006 0.000 0.783 54 S N -1.514 114.292 115.700 0.177 0.000 2.558 54 S HA 0.164 4.634 4.470 -0.000 0.000 0.217 54 S C 1.280 176.034 174.600 0.256 0.000 0.975 54 S CA 0.133 58.446 58.200 0.189 0.000 0.912 54 S CB -0.530 62.773 63.200 0.173 0.000 0.776 54 S HN 0.207 nan 8.310 nan 0.000 0.526 55 G N 2.780 111.776 108.800 0.325 0.000 2.441 55 G HA2 0.348 4.307 3.960 -0.000 0.000 0.243 55 G HA3 0.348 4.307 3.960 -0.000 0.000 0.243 55 G C 0.330 175.498 174.900 0.446 0.000 1.281 55 G CA -0.275 45.012 45.100 0.311 0.000 0.854 55 G HN 0.335 nan 8.290 nan 0.000 0.560 56 T N -0.092 114.620 114.554 0.264 0.000 2.788 56 T HA 0.162 4.512 4.350 -0.000 0.000 0.287 56 T C 1.268 175.883 174.700 -0.142 0.000 1.007 56 T CA -0.385 61.829 62.100 0.190 0.000 1.005 56 T CB 0.782 69.678 68.868 0.048 0.000 1.012 56 T HN 0.415 nan 8.240 nan 0.000 0.530 57 F N 1.061 120.404 119.950 -1.012 0.000 2.171 57 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 57 F C 2.260 177.697 175.800 -0.605 0.000 1.090 57 F CA 1.464 58.569 58.000 -1.490 0.000 1.293 57 F CB -0.046 38.077 39.000 -1.461 0.000 1.013 57 F HN 0.635 nan 8.300 nan 0.000 0.486 58 E N 0.538 120.481 120.200 -0.427 0.000 2.051 58 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 58 E C 2.115 178.556 176.600 -0.265 0.000 0.991 58 E CA 1.765 57.952 56.400 -0.356 0.000 0.799 58 E CB -0.530 29.060 29.700 -0.184 0.000 0.748 58 E HN 0.557 nan 8.360 nan 0.000 0.449 59 Q N 0.092 119.794 119.800 -0.163 0.000 2.020 59 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 59 Q C 2.317 178.253 176.000 -0.106 0.000 0.982 59 Q CA 1.644 57.397 55.803 -0.085 0.000 0.838 59 Q CB -0.242 28.471 28.738 -0.042 0.000 0.899 59 Q HN 0.156 nan 8.270 nan 0.000 0.423 60 V N 0.716 120.567 119.914 -0.105 0.000 2.343 60 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 60 V C 2.213 178.220 176.094 -0.146 0.000 1.051 60 V CA 1.929 64.197 62.300 -0.054 0.000 1.036 60 V CB -0.548 31.392 31.823 0.195 0.000 0.654 60 V HN 0.288 nan 8.190 nan 0.000 0.451 61 S N -0.689 114.840 115.700 -0.286 0.000 2.382 61 S HA -0.262 4.208 4.470 -0.000 0.000 0.228 61 S C 2.004 176.476 174.600 -0.214 0.000 1.027 61 S CA 1.646 59.653 58.200 -0.322 0.000 0.991 61 S CB -0.300 62.523 63.200 -0.629 0.000 0.823 61 S HN 0.580 nan 8.310 nan 0.000 0.469 62 Q N 1.232 120.931 119.800 -0.168 0.000 2.046 62 Q HA -0.002 4.338 4.340 -0.000 0.000 0.200 62 Q C 2.056 178.017 176.000 -0.065 0.000 0.975 62 Q CA 1.115 56.890 55.803 -0.046 0.000 0.836 62 Q CB -0.680 28.090 28.738 0.054 0.000 0.896 62 Q HN 0.432 nan 8.270 nan 0.000 0.428 63 L N -0.478 120.600 121.223 -0.241 0.000 2.012 63 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 63 L C 2.101 178.623 176.870 -0.580 0.000 1.073 63 L CA 1.663 56.052 54.840 -0.751 0.000 0.748 63 L CB -0.900 40.649 42.059 -0.850 0.000 0.891 63 L HN 0.147 nan 8.230 nan 0.000 0.431 64 V N 0.041 119.722 119.914 -0.388 0.000 2.407 64 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 64 V C 2.699 178.706 176.094 -0.145 0.000 1.055 64 V CA 2.103 64.247 62.300 -0.260 0.000 1.049 64 V CB -0.750 31.016 31.823 -0.095 0.000 0.662 64 V HN 0.564 nan 8.190 nan 0.000 0.455 65 K N -0.308 120.021 120.400 -0.118 0.000 2.057 65 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 65 K C 2.154 178.727 176.600 -0.046 0.000 1.049 65 K CA 1.528 57.784 56.287 -0.051 0.000 0.931 65 K CB -0.038 32.437 32.500 -0.042 0.000 0.714 65 K HN 0.445 nan 8.250 nan 0.000 0.440 66 E N 0.445 120.589 120.200 -0.092 0.000 2.028 66 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 66 E C 2.199 178.737 176.600 -0.103 0.000 0.988 66 E CA 1.025 57.378 56.400 -0.078 0.000 0.799 66 E CB -0.371 29.283 29.700 -0.076 0.000 0.755 66 E HN 0.123 nan 8.360 nan 0.000 0.447 67 V N 1.542 121.350 119.914 -0.177 0.000 2.282 67 V HA -0.243 3.876 4.120 -0.000 0.000 0.249 67 V C 2.625 178.758 176.094 0.066 0.000 1.057 67 V CA 1.597 63.841 62.300 -0.094 0.000 1.032 67 V CB -0.602 31.123 31.823 -0.163 0.000 0.645 67 V HN 0.061 nan 8.190 nan 0.000 0.447 68 V N -0.626 119.356 119.914 0.114 0.000 2.427 68 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 68 V C 2.615 178.743 176.094 0.056 0.000 1.051 68 V CA 2.172 64.606 62.300 0.224 0.000 1.048 68 V CB -0.616 31.361 31.823 0.257 0.000 0.666 68 V HN 0.614 nan 8.190 nan 0.000 0.456 69 S N 1.014 116.722 115.700 0.014 0.000 2.351 69 S HA -0.200 4.270 4.470 -0.000 0.000 0.220 69 S C 2.033 176.592 174.600 -0.068 0.000 1.035 69 S CA 2.268 60.456 58.200 -0.020 0.000 1.031 69 S CB -0.391 62.799 63.200 -0.016 0.000 0.928 69 S HN 0.582 nan 8.310 nan 0.000 0.433 70 L N 0.743 121.922 121.223 -0.073 0.000 2.083 70 L HA 0.069 4.409 4.340 -0.000 0.000 0.209 70 L C 2.262 179.067 176.870 -0.107 0.000 1.083 70 L CA 2.241 57.023 54.840 -0.096 0.000 0.752 70 L CB -1.848 40.130 42.059 -0.135 0.000 0.899 70 L HN 0.156 nan 8.230 nan 0.000 0.433 71 T N -0.279 114.199 114.554 -0.127 0.000 2.708 71 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 71 T C 1.748 176.063 174.700 -0.643 0.000 1.037 71 T CA 1.795 63.741 62.100 -0.256 0.000 1.146 71 T CB -0.276 68.408 68.868 -0.308 0.000 0.865 71 T HN 0.615 nan 8.240 nan 0.000 0.435 72 E N 0.862 120.621 120.200 -0.736 0.000 2.051 72 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 72 E C 2.371 178.777 176.600 -0.324 0.000 0.991 72 E CA 1.109 57.047 56.400 -0.769 0.000 0.799 72 E CB -0.200 29.332 29.700 -0.279 0.000 0.748 72 E HN 0.470 nan 8.360 nan 0.000 0.449 73 A N 0.349 123.057 122.820 -0.186 0.000 1.872 73 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 73 A C 2.412 179.952 177.584 -0.072 0.000 1.187 73 A CA 1.269 53.251 52.037 -0.091 0.000 0.614 73 A CB -0.758 18.207 19.000 -0.059 0.000 0.826 73 A HN 0.523 nan 8.150 nan 0.000 0.442 74 c N -1.497 117.067 118.600 -0.061 0.000 2.456 74 c HA -0.024 4.546 4.570 -0.000 0.000 0.279 74 c C 2.326 176.402 174.090 -0.023 0.000 1.427 74 c CA 0.524 56.859 56.329 0.010 0.000 1.778 74 c CB -1.703 40.893 42.510 0.145 0.000 1.842 74 c HN 0.707 nan 8.230 nan 0.000 0.531 75 c N 0.567 119.101 118.600 -0.110 0.000 2.906 75 c HA 0.417 4.987 4.570 -0.000 0.000 0.274 75 c C 1.634 175.693 174.090 -0.053 0.000 1.257 75 c CA -0.762 55.498 56.329 -0.114 0.000 1.695 75 c CB -1.786 40.601 42.510 -0.204 0.000 1.958 75 c HN 0.630 nan 8.230 nan 0.000 0.619 76 A N 1.577 124.371 122.820 -0.043 0.000 2.520 76 A HA 0.200 4.519 4.320 -0.000 0.000 0.245 76 A C 0.075 177.660 177.584 0.000 0.000 1.072 76 A CA 0.261 52.296 52.037 -0.003 0.000 0.761 76 A CB 0.019 19.017 19.000 -0.003 0.000 1.004 76 A HN 0.679 nan 8.150 nan 0.000 0.499 77 E N 1.393 121.599 120.200 0.011 0.000 2.491 77 E HA 0.307 4.657 4.350 -0.000 0.000 0.250 77 E C 1.094 177.697 176.600 0.004 0.000 1.061 77 E CA 1.003 57.407 56.400 0.007 0.000 0.942 77 E CB 0.016 29.723 29.700 0.011 0.000 0.957 77 E HN 1.229 nan 8.360 nan 0.000 0.480 78 G N 2.094 110.895 108.800 0.001 0.000 2.163 78 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.213 78 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.213 78 G C 0.367 175.268 174.900 0.002 0.000 0.991 78 G CA -0.225 44.876 45.100 0.002 0.000 0.653 78 G HN 0.764 nan 8.290 nan 0.000 0.518 79 A N 0.005 122.825 122.820 -0.001 0.000 2.296 79 A HA 0.536 4.856 4.320 -0.000 0.000 0.264 79 A C 0.583 178.169 177.584 0.004 0.000 1.097 79 A CA 0.425 52.462 52.037 -0.000 0.000 0.811 79 A CB 0.251 19.247 19.000 -0.006 0.000 1.072 79 A HN 0.465 nan 8.150 nan 0.000 0.495 80 D N 0.494 120.898 120.400 0.007 0.000 2.502 80 D HA 0.052 4.692 4.640 -0.000 0.000 0.249 80 D C -1.588 174.723 176.300 0.019 0.000 1.188 80 D CA -0.959 53.047 54.000 0.011 0.000 0.890 80 D CB 0.726 41.533 40.800 0.011 0.000 1.140 80 D HN 0.081 nan 8.370 nan 0.000 0.505 81 P HA -0.069 nan 4.420 nan 0.000 0.226 81 P C 0.060 177.381 177.300 0.035 0.000 1.146 81 P CA 0.880 63.992 63.100 0.019 0.000 0.773 81 P CB 0.300 32.008 31.700 0.013 0.000 0.772 82 D N -2.729 117.693 120.400 0.037 0.000 2.433 82 D HA 0.025 4.665 4.640 -0.000 0.000 0.211 82 D C 1.480 177.811 176.300 0.053 0.000 1.114 82 D CA -0.088 53.940 54.000 0.047 0.000 0.837 82 D CB -0.719 40.100 40.800 0.031 0.000 0.984 82 D HN 0.155 nan 8.370 nan 0.000 0.505 83 c N 0.363 118.995 118.600 0.053 0.000 2.413 83 c HA -0.240 4.330 4.570 -0.000 0.000 0.277 83 c C 2.464 176.589 174.090 0.058 0.000 1.228 83 c CA 0.804 57.159 56.329 0.043 0.000 1.731 83 c CB -1.244 41.289 42.510 0.038 0.000 2.042 83 c HN 0.392 nan 8.230 nan 0.000 0.468 84 Y N 1.857 122.142 120.300 -0.024 0.000 2.165 84 Y HA -0.153 4.396 4.550 -0.000 0.000 0.286 84 Y C 2.319 178.217 175.900 -0.004 0.000 1.155 84 Y CA 2.403 60.490 58.100 -0.021 0.000 1.164 84 Y CB -0.506 37.940 38.460 -0.023 0.000 0.978 84 Y HN 0.463 nan 8.280 nan 0.000 0.513 85 D N -0.896 119.584 120.400 0.134 0.000 2.087 85 D HA -0.208 4.431 4.640 -0.000 0.000 0.192 85 D C 2.185 178.478 176.300 -0.011 0.000 0.993 85 D CA 2.585 56.628 54.000 0.072 0.000 0.828 85 D CB -0.713 40.134 40.800 0.078 0.000 0.968 85 D HN 0.520 nan 8.370 nan 0.000 0.448 86 T N -0.364 114.181 114.554 -0.015 0.000 2.770 86 T HA -0.069 4.281 4.350 -0.000 0.000 0.263 86 T C 1.984 176.647 174.700 -0.061 0.000 1.039 86 T CA 0.475 62.559 62.100 -0.027 0.000 1.142 86 T CB -0.175 68.685 68.868 -0.014 0.000 0.868 86 T HN -0.054 nan 8.240 nan 0.000 0.435 87 R N 1.523 121.969 120.500 -0.091 0.000 2.103 87 R HA -0.109 4.230 4.340 -0.000 0.000 0.242 87 R C 2.954 179.159 176.300 -0.158 0.000 1.142 87 R CA 2.109 58.138 56.100 -0.118 0.000 0.960 87 R CB -1.483 28.732 30.300 -0.142 0.000 0.858 87 R HN 0.803 nan 8.270 nan 0.000 0.439 88 T N -2.419 111.987 114.554 -0.245 0.000 2.904 88 T HA -0.042 4.307 4.350 -0.000 0.000 0.267 88 T C 2.081 176.721 174.700 -0.099 0.000 1.059 88 T CA 1.393 63.352 62.100 -0.236 0.000 1.137 88 T CB -0.157 68.496 68.868 -0.358 0.000 0.879 88 T HN 0.114 nan 8.240 nan 0.000 0.467 89 S N 1.370 117.030 115.700 -0.067 0.000 2.368 89 S HA 0.108 4.578 4.470 -0.000 0.000 0.224 89 S C 2.460 177.054 174.600 -0.010 0.000 1.029 89 S CA 1.071 59.259 58.200 -0.021 0.000 0.988 89 S CB -0.881 62.313 63.200 -0.010 0.000 0.838 89 S HN 0.703 nan 8.310 nan 0.000 0.462 90 A N 1.197 124.005 122.820 -0.019 0.000 1.969 90 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 90 A C 2.104 179.701 177.584 0.022 0.000 1.169 90 A CA 1.478 53.513 52.037 -0.004 0.000 0.635 90 A CB -0.790 18.203 19.000 -0.013 0.000 0.810 90 A HN 0.553 nan 8.150 nan 0.000 0.445 91 L N -0.275 120.959 121.223 0.018 0.000 2.017 91 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 91 L C 2.610 179.549 176.870 0.114 0.000 1.073 91 L CA 2.529 57.414 54.840 0.076 0.000 0.745 91 L CB -0.653 41.388 42.059 -0.031 0.000 0.894 91 L HN 0.332 nan 8.230 nan 0.000 0.432 92 S N -1.182 114.551 115.700 0.055 0.000 2.402 92 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 92 S C 2.058 176.696 174.600 0.065 0.000 1.021 92 S CA 0.980 59.220 58.200 0.065 0.000 0.974 92 S CB -0.312 62.916 63.200 0.046 0.000 0.800 92 S HN 0.617 nan 8.310 nan 0.000 0.484 93 A N 1.024 123.871 122.820 0.045 0.000 1.968 93 A HA 0.067 4.386 4.320 -0.000 0.000 0.217 93 A C 2.054 179.648 177.584 0.015 0.000 1.169 93 A CA 1.366 53.418 52.037 0.025 0.000 0.638 93 A CB -0.507 18.500 19.000 0.011 0.000 0.812 93 A HN 0.573 nan 8.150 nan 0.000 0.446 94 K N 0.016 120.434 120.400 0.030 0.000 2.283 94 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 94 K C 1.474 178.031 176.600 -0.071 0.000 1.048 94 K CA 1.229 57.493 56.287 -0.038 0.000 0.948 94 K CB -0.072 32.411 32.500 -0.029 0.000 0.742 94 K HN 0.415 nan 8.250 nan 0.000 0.458 95 S N -0.081 115.662 115.700 0.072 0.000 2.527 95 S HA -0.049 4.421 4.470 -0.000 0.000 0.222 95 S C 1.712 176.323 174.600 0.018 0.000 0.985 95 S CA 0.369 58.622 58.200 0.089 0.000 0.921 95 S CB -0.058 63.246 63.200 0.174 0.000 0.772 95 S HN 0.420 nan 8.310 nan 0.000 0.529 96 C N 1.696 121.001 119.300 0.008 0.000 2.476 96 C HA 0.038 4.498 4.460 -0.000 0.000 0.278 96 C C 1.135 176.113 174.990 -0.020 0.000 1.274 96 C CA -0.291 58.728 59.018 0.002 0.000 1.713 96 C CB -1.004 26.739 27.740 0.005 0.000 2.039 96 C HN 0.574 nan 8.230 nan 0.000 0.484 97 E N 1.913 122.085 120.200 -0.047 0.000 2.868 97 E HA -0.026 4.324 4.350 -0.000 0.000 0.246 97 E C 0.286 176.852 176.600 -0.056 0.000 0.962 97 E CA -0.028 56.335 56.400 -0.061 0.000 0.955 97 E CB 0.251 29.892 29.700 -0.098 0.000 0.903 97 E HN 0.368 nan 8.360 nan 0.000 0.524 98 S N 3.914 119.591 115.700 -0.038 0.000 2.546 98 S HA -0.059 4.411 4.470 -0.000 0.000 0.290 98 S C 0.084 174.658 174.600 -0.043 0.000 1.290 98 S CA -0.218 57.965 58.200 -0.028 0.000 1.069 98 S CB 0.060 63.249 63.200 -0.017 0.000 0.846 98 S HN 0.654 nan 8.310 nan 0.000 0.495 99 N N 1.509 120.187 118.700 -0.038 0.000 2.758 99 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 99 N C -0.084 175.375 175.510 -0.085 0.000 1.076 99 N CA 1.131 54.153 53.050 -0.047 0.000 0.696 99 N CB -2.155 36.309 38.487 -0.039 0.000 0.979 99 N HN 0.748 nan 8.380 nan 0.000 0.550 100 S N -1.332 114.302 115.700 -0.111 0.000 2.617 100 S HA 0.489 4.959 4.470 -0.000 0.000 0.259 100 S C -1.141 173.323 174.600 -0.228 0.000 1.301 100 S CA -0.858 57.219 58.200 -0.204 0.000 0.984 100 S CB 1.196 64.246 63.200 -0.250 0.000 0.954 100 S HN -0.048 nan 8.310 nan 0.000 0.572 101 P HA 0.172 nan 4.420 nan 0.000 0.229 101 P C -0.328 176.913 177.300 -0.100 0.000 1.160 101 P CA 0.665 63.595 63.100 -0.284 0.000 0.777 101 P CB -0.038 31.426 31.700 -0.393 0.000 0.814 102 F N 1.006 120.854 119.950 -0.170 0.000 2.377 102 F HA 0.356 4.882 4.527 -0.000 0.000 0.328 102 F C -1.613 174.018 175.800 -0.282 0.000 1.094 102 F CA -3.183 54.666 58.000 -0.251 0.000 1.093 102 F CB 0.715 39.555 39.000 -0.266 0.000 1.214 102 F HN -0.251 nan 8.300 nan 0.000 0.518 103 P HA 0.253 nan 4.420 nan 0.000 0.276 103 P C -1.160 175.918 177.300 -0.370 0.000 1.252 103 P CA -0.177 62.751 63.100 -0.286 0.000 0.802 103 P CB 1.936 33.413 31.700 -0.372 0.000 1.035 104 V N -2.272 117.635 119.914 -0.012 0.000 3.188 104 V HA 0.514 4.633 4.120 -0.000 0.000 0.305 104 V C -0.637 175.693 176.094 0.393 0.000 1.232 104 V CA -0.995 61.400 62.300 0.157 0.000 1.043 104 V CB 1.366 33.244 31.823 0.091 0.000 1.068 104 V HN 0.599 nan 8.190 nan 0.000 0.439 105 H N 0.798 120.062 119.070 0.323 0.000 2.488 105 H HA 0.634 5.190 4.556 -0.000 0.000 0.347 105 H C -2.030 173.383 175.328 0.141 0.000 1.174 105 H CA -1.523 54.654 56.048 0.214 0.000 1.307 105 H CB 1.224 31.084 29.762 0.164 0.000 1.517 105 H HN 0.632 nan 8.280 nan 0.000 0.554 127 K N 1.224 121.601 120.400 -0.038 0.000 2.565 127 K HA 0.395 4.714 4.320 -0.000 0.000 0.251 127 K C -1.677 174.701 176.600 -0.370 0.000 0.956 127 K CA -0.632 55.547 56.287 -0.180 0.000 0.809 127 K CB 1.944 34.372 32.500 -0.120 0.000 1.267 127 K HN 0.303 nan 8.250 nan 0.000 0.438 128 H N 1.925 120.743 119.070 -0.420 0.000 2.551 128 H HA 0.278 4.833 4.556 -0.000 0.000 0.321 128 H C -0.780 174.425 175.328 -0.204 0.000 1.028 128 H CA -0.843 54.967 56.048 -0.395 0.000 1.215 128 H CB 1.111 30.630 29.762 -0.405 0.000 1.414 128 H HN 0.364 nan 8.280 nan 0.000 0.480 129 Q N 3.562 123.263 119.800 -0.165 0.000 2.361 129 Q HA 0.156 4.496 4.340 -0.000 0.000 0.276 129 Q C -2.101 173.829 176.000 -0.116 0.000 1.022 129 Q CA -1.360 54.353 55.803 -0.150 0.000 0.898 129 Q CB 0.652 29.350 28.738 -0.067 0.000 1.246 129 Q HN 0.563 nan 8.270 nan 0.000 0.410 130 P HA -0.022 nan 4.420 nan 0.000 0.269 130 P C -0.701 176.550 177.300 -0.081 0.000 1.215 130 P CA -0.141 62.895 63.100 -0.108 0.000 0.780 130 P CB 0.471 32.093 31.700 -0.130 0.000 0.898 131 Q N 1.594 121.333 119.800 -0.102 0.000 2.377 131 Q HA 0.080 4.420 4.340 -0.000 0.000 0.249 131 Q C 0.305 176.198 176.000 -0.178 0.000 1.005 131 Q CA 0.546 56.277 55.803 -0.119 0.000 0.912 131 Q CB 0.151 28.780 28.738 -0.182 0.000 1.223 131 Q HN 0.373 nan 8.270 nan 0.000 0.459 132 E N 3.112 123.205 120.200 -0.178 0.000 2.447 132 E HA 0.049 4.399 4.350 -0.000 0.000 0.195 132 E C -0.587 175.596 176.600 -0.694 0.000 1.028 132 E CA 0.265 56.412 56.400 -0.422 0.000 0.876 132 E CB 0.387 29.790 29.700 -0.496 0.000 0.885 132 E HN 0.495 nan 8.360 nan 0.000 0.500 133 F N 2.059 121.915 119.950 -0.156 0.000 2.531 133 F HA 0.264 4.791 4.527 -0.000 0.000 0.333 133 F C -2.226 173.472 175.800 -0.170 0.000 1.292 133 F CA -2.505 55.399 58.000 -0.160 0.000 1.184 133 F CB 0.848 39.745 39.000 -0.172 0.000 1.426 133 F HN -0.187 nan 8.300 nan 0.000 0.559 134 P HA 0.046 nan 4.420 nan 0.000 0.268 134 P C 0.637 177.894 177.300 -0.071 0.000 1.205 134 P CA 0.185 63.152 63.100 -0.222 0.000 0.771 134 P CB 1.433 32.833 31.700 -0.501 0.000 0.858 135 T N -1.292 113.228 114.554 -0.057 0.000 3.044 135 T HA 0.051 4.400 4.350 -0.000 0.000 0.260 135 T C 0.478 175.198 174.700 0.034 0.000 1.019 135 T CA -0.304 61.795 62.100 -0.001 0.000 0.921 135 T CB -0.731 68.135 68.868 -0.004 0.000 1.053 135 T HN 0.314 nan 8.240 nan 0.000 0.533 136 Y N 2.524 122.785 120.300 -0.065 0.000 2.632 136 Y HA 0.450 5.000 4.550 -0.000 0.000 0.329 136 Y C -0.855 175.099 175.900 0.090 0.000 1.174 136 Y CA -0.599 57.508 58.100 0.012 0.000 1.469 136 Y CB 0.426 38.907 38.460 0.035 0.000 1.242 136 Y HN 0.016 nan 8.280 nan 0.000 0.540 137 V N 7.531 127.074 119.914 -0.618 0.000 2.483 137 V HA 0.158 4.278 4.120 -0.000 0.000 0.297 137 V C -0.363 175.335 176.094 -0.660 0.000 1.027 137 V CA -1.223 60.790 62.300 -0.478 0.000 0.855 137 V CB 1.526 33.236 31.823 -0.189 0.000 0.995 137 V HN 0.792 nan 8.190 nan 0.000 0.424 138 E N 6.180 126.093 120.200 -0.479 0.000 2.324 138 E HA 0.257 4.606 4.350 -0.000 0.000 0.271 138 E C -2.215 174.346 176.600 -0.065 0.000 1.028 138 E CA -1.204 55.085 56.400 -0.185 0.000 0.890 138 E CB 1.012 30.759 29.700 0.079 0.000 1.004 138 E HN 0.456 nan 8.360 nan 0.000 0.431 139 P HA 0.011 nan 4.420 nan 0.000 0.273 139 P C -0.628 176.669 177.300 -0.006 0.000 1.250 139 P CA -0.349 62.764 63.100 0.021 0.000 0.793 139 P CB 0.416 32.170 31.700 0.090 0.000 1.011 140 T N -1.575 112.965 114.554 -0.024 0.000 2.802 140 T HA 0.057 4.407 4.350 -0.000 0.000 0.305 140 T C 1.191 175.822 174.700 -0.116 0.000 1.053 140 T CA -0.337 61.724 62.100 -0.066 0.000 1.058 140 T CB 0.112 68.952 68.868 -0.046 0.000 0.988 140 T HN 0.173 nan 8.240 nan 0.000 0.539 141 N N 1.126 119.696 118.700 -0.218 0.000 2.149 141 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 141 N C 1.462 176.905 175.510 -0.112 0.000 1.019 141 N CA 1.305 54.145 53.050 -0.350 0.000 0.857 141 N CB -0.507 37.679 38.487 -0.502 0.000 0.997 141 N HN 0.638 nan 8.380 nan 0.000 0.426 142 D N 0.952 121.319 120.400 -0.055 0.000 2.117 142 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 142 D C 1.638 177.941 176.300 0.005 0.000 0.982 142 D CA 0.860 54.857 54.000 -0.005 0.000 0.828 142 D CB -0.102 40.697 40.800 -0.002 0.000 0.967 142 D HN 0.478 nan 8.370 nan 0.000 0.464 143 E N 0.448 120.649 120.200 0.002 0.000 2.072 143 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 143 E C 2.416 179.036 176.600 0.034 0.000 0.985 143 E CA 0.349 56.765 56.400 0.027 0.000 0.801 143 E CB 0.018 29.740 29.700 0.037 0.000 0.750 143 E HN 0.286 nan 8.360 nan 0.000 0.452 144 I N 0.868 121.450 120.570 0.019 0.000 2.163 144 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 144 I C 2.422 178.476 176.117 -0.104 0.000 1.085 144 I CA 0.919 62.212 61.300 -0.012 0.000 1.347 144 I CB -0.286 37.717 38.000 0.005 0.000 1.044 144 I HN 0.255 nan 8.210 nan 0.000 0.408 145 c N 0.124 118.718 118.600 -0.010 0.000 2.440 145 c HA -0.140 4.430 4.570 -0.000 0.000 0.278 145 c C 2.742 176.856 174.090 0.040 0.000 1.295 145 c CA 0.759 57.109 56.329 0.034 0.000 1.738 145 c CB -0.991 41.565 42.510 0.077 0.000 1.987 145 c HN 0.522 nan 8.230 nan 0.000 0.492 146 E N 1.115 121.329 120.200 0.022 0.000 2.047 146 E HA -0.161 4.188 4.350 -0.000 0.000 0.191 146 E C 2.247 178.855 176.600 0.014 0.000 0.987 146 E CA 1.291 57.704 56.400 0.022 0.000 0.799 146 E CB -0.172 29.543 29.700 0.025 0.000 0.752 146 E HN 0.571 nan 8.360 nan 0.000 0.449 147 A N 0.526 123.352 122.820 0.011 0.000 1.902 147 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 147 A C 2.001 179.565 177.584 -0.034 0.000 1.181 147 A CA 1.257 53.315 52.037 0.035 0.000 0.623 147 A CB -0.868 18.215 19.000 0.139 0.000 0.818 147 A HN 0.505 nan 8.150 nan 0.000 0.443 148 F N 0.604 120.330 119.950 -0.374 0.000 2.171 148 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 148 F C 2.309 178.031 175.800 -0.129 0.000 1.090 148 F CA 1.882 59.654 58.000 -0.380 0.000 1.293 148 F CB -0.220 38.481 39.000 -0.499 0.000 1.013 148 F HN 0.235 nan 8.300 nan 0.000 0.486 149 R N 0.555 120.993 120.500 -0.103 0.000 2.075 149 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 149 R C 2.437 178.656 176.300 -0.134 0.000 1.126 149 R CA 1.629 57.651 56.100 -0.130 0.000 0.963 149 R CB -0.355 29.934 30.300 -0.020 0.000 0.858 149 R HN 0.271 nan 8.270 nan 0.000 0.435 150 K N -0.477 119.878 120.400 -0.076 0.000 2.026 150 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 150 K C -0.183 176.384 176.600 -0.054 0.000 1.048 150 K CA 1.622 57.884 56.287 -0.041 0.000 0.929 150 K CB 0.186 32.687 32.500 0.002 0.000 0.713 150 K HN 0.063 nan 8.250 nan 0.000 0.439 151 D N -1.218 119.146 120.400 -0.060 0.000 2.411 151 D HA 0.178 4.818 4.640 -0.000 0.000 0.239 151 D C -2.329 173.938 176.300 -0.056 0.000 1.307 151 D CA -1.748 52.228 54.000 -0.039 0.000 0.930 151 D CB 1.591 42.415 40.800 0.041 0.000 1.395 151 D HN -0.145 nan 8.370 nan 0.000 0.536 152 P HA -0.165 nan 4.420 nan 0.000 0.215 152 P C 1.191 178.525 177.300 0.057 0.000 1.157 152 P CA 1.435 64.317 63.100 -0.363 0.000 0.874 152 P CB 0.501 31.883 31.700 -0.531 0.000 0.790 153 K N -0.695 119.741 120.400 0.059 0.000 2.026 153 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 153 K C 2.209 178.923 176.600 0.191 0.000 1.048 153 K CA 1.423 57.789 56.287 0.133 0.000 0.929 153 K CB -0.392 32.164 32.500 0.093 0.000 0.713 153 K HN 0.061 nan 8.250 nan 0.000 0.439 154 E N 0.664 120.972 120.200 0.179 0.000 2.077 154 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 154 E C 1.833 178.571 176.600 0.232 0.000 0.989 154 E CA 1.237 57.766 56.400 0.214 0.000 0.800 154 E CB -0.340 29.466 29.700 0.176 0.000 0.746 154 E HN 0.322 nan 8.360 nan 0.000 0.452 155 Y N 0.429 120.825 120.300 0.159 0.000 2.128 155 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 155 Y C 2.106 178.185 175.900 0.298 0.000 1.154 155 Y CA 2.218 60.450 58.100 0.220 0.000 1.149 155 Y CB -0.787 37.835 38.460 0.270 0.000 0.976 155 Y HN 0.124 nan 8.280 nan 0.000 0.505 156 A N 0.538 123.554 122.820 0.326 0.000 1.902 156 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 156 A C 2.083 179.818 177.584 0.252 0.000 1.181 156 A CA 1.927 54.143 52.037 0.297 0.000 0.623 156 A CB -0.791 18.413 19.000 0.340 0.000 0.818 156 A HN 0.607 nan 8.150 nan 0.000 0.443 157 N N -0.406 118.446 118.700 0.253 0.000 2.106 157 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 157 N C 1.898 177.567 175.510 0.264 0.000 1.029 157 N CA 1.342 54.589 53.050 0.327 0.000 0.848 157 N CB -0.475 38.283 38.487 0.452 0.000 1.007 157 N HN 0.523 nan 8.380 nan 0.000 0.423 158 Q N 0.377 120.160 119.800 -0.028 0.000 2.084 158 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 158 Q C 1.917 177.927 176.000 0.018 0.000 0.978 158 Q CA 1.050 56.628 55.803 -0.375 0.000 0.844 158 Q CB -0.420 28.103 28.738 -0.358 0.000 0.898 158 Q HN 0.363 nan 8.270 nan 0.000 0.426 159 F N 0.596 120.469 119.950 -0.129 0.000 2.102 159 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 159 F C 2.203 178.010 175.800 0.011 0.000 1.105 159 F CA 1.515 59.457 58.000 -0.096 0.000 1.239 159 F CB -0.377 38.475 39.000 -0.245 0.000 0.991 159 F HN 0.023 nan 8.300 nan 0.000 0.474 160 M N -1.303 118.210 119.600 -0.144 0.000 2.159 160 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 160 M C 2.081 178.344 176.300 -0.063 0.000 1.063 160 M CA 2.133 57.325 55.300 -0.181 0.000 1.110 160 M CB -0.816 31.832 32.600 0.080 0.000 1.374 160 M HN 0.543 nan 8.290 nan 0.000 0.411 161 W N 1.391 122.661 121.300 -0.049 0.000 2.380 161 W HA -0.177 4.483 4.660 -0.000 0.000 0.317 161 W C 2.237 178.729 176.519 -0.046 0.000 1.196 161 W CA 1.879 59.248 57.345 0.040 0.000 1.307 161 W CB -0.456 29.147 29.460 0.238 0.000 1.157 161 W HN 0.224 nan 8.180 nan 0.000 0.483 162 E N -1.231 118.716 120.200 -0.422 0.000 2.077 162 E HA -0.334 4.016 4.350 -0.000 0.000 0.193 162 E C 2.229 178.470 176.600 -0.598 0.000 0.989 162 E CA 1.720 57.666 56.400 -0.756 0.000 0.800 162 E CB -0.786 28.820 29.700 -0.157 0.000 0.746 162 E HN 0.434 nan 8.360 nan 0.000 0.452 163 Y N 0.823 120.677 120.300 -0.743 0.000 2.145 163 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 163 Y C 2.488 178.121 175.900 -0.444 0.000 1.145 163 Y CA 2.010 59.623 58.100 -0.811 0.000 1.148 163 Y CB -0.245 37.509 38.460 -1.177 0.000 0.981 163 Y HN 0.024 nan 8.280 nan 0.000 0.507 164 S N -0.884 114.635 115.700 -0.301 0.000 2.399 164 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 164 S C 1.956 176.378 174.600 -0.298 0.000 1.022 164 S CA 1.689 59.760 58.200 -0.214 0.000 0.983 164 S CB -0.749 62.388 63.200 -0.104 0.000 0.803 164 S HN 0.752 nan 8.310 nan 0.000 0.480 165 T N 0.391 114.690 114.554 -0.426 0.000 2.995 165 T HA 0.095 4.445 4.350 -0.000 0.000 0.269 165 T C 1.434 175.891 174.700 -0.405 0.000 1.091 165 T CA 0.724 62.586 62.100 -0.397 0.000 1.128 165 T CB -0.181 68.350 68.868 -0.562 0.000 0.891 165 T HN 0.267 nan 8.240 nan 0.000 0.492 166 N N 0.197 118.577 118.700 -0.532 0.000 2.402 166 N HA 0.068 4.807 4.740 -0.000 0.000 0.174 166 N C -0.115 174.820 175.510 -0.958 0.000 1.027 166 N CA 0.732 53.364 53.050 -0.697 0.000 0.891 166 N CB 0.247 38.282 38.487 -0.753 0.000 1.016 166 N HN 0.494 nan 8.380 nan 0.000 0.439 167 Y N -0.479 119.499 120.300 -0.536 0.000 2.713 167 Y HA 0.349 4.899 4.550 -0.000 0.000 0.269 167 Y C 1.690 177.405 175.900 -0.307 0.000 1.106 167 Y CA -0.610 57.211 58.100 -0.464 0.000 1.174 167 Y CB 0.562 38.586 38.460 -0.726 0.000 1.186 167 Y HN -0.075 nan 8.280 nan 0.000 0.555 168 G N -0.241 108.452 108.800 -0.179 0.000 2.559 168 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 168 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 168 G C 1.447 176.323 174.900 -0.039 0.000 1.126 168 G CA 0.542 45.574 45.100 -0.114 0.000 0.778 168 G HN 0.259 nan 8.290 nan 0.000 0.543 169 Q N 0.059 119.840 119.800 -0.031 0.000 2.451 169 Q HA 0.240 4.580 4.340 -0.000 0.000 0.206 169 Q C 1.425 177.407 176.000 -0.030 0.000 0.947 169 Q CA 0.262 56.062 55.803 -0.005 0.000 0.937 169 Q CB 0.173 28.894 28.738 -0.029 0.000 1.025 169 Q HN 0.449 nan 8.270 nan 0.000 0.511 170 A N 2.591 125.386 122.820 -0.041 0.000 2.407 170 A HA 0.335 4.654 4.320 -0.000 0.000 0.248 170 A C -2.205 175.353 177.584 -0.043 0.000 1.082 170 A CA -1.091 50.913 52.037 -0.055 0.000 0.785 170 A CB -0.208 18.758 19.000 -0.056 0.000 1.020 170 A HN -0.052 nan 8.150 nan 0.000 0.489 171 P HA -0.014 nan 4.420 nan 0.000 0.264 171 P C 1.031 178.316 177.300 -0.025 0.000 1.183 171 P CA -0.195 62.880 63.100 -0.041 0.000 0.763 171 P CB 0.408 32.078 31.700 -0.050 0.000 0.807 172 L N 4.590 125.799 121.223 -0.024 0.000 2.051 172 L HA -0.276 4.064 4.340 -0.000 0.000 0.214 172 L C 2.155 179.023 176.870 -0.002 0.000 1.076 172 L CA 2.730 57.557 54.840 -0.020 0.000 0.758 172 L CB -1.458 40.581 42.059 -0.033 0.000 0.890 172 L HN 0.449 nan 8.230 nan 0.000 0.433 173 S N -1.137 114.562 115.700 -0.001 0.000 2.382 173 S HA -0.204 4.266 4.470 -0.000 0.000 0.228 173 S C 2.049 176.664 174.600 0.025 0.000 1.027 173 S CA 1.591 59.798 58.200 0.013 0.000 0.991 173 S CB -0.993 62.212 63.200 0.009 0.000 0.823 173 S HN 0.542 nan 8.310 nan 0.000 0.469 174 L N 0.437 121.669 121.223 0.014 0.000 2.109 174 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 174 L C 2.677 179.592 176.870 0.075 0.000 1.086 174 L CA 0.968 55.825 54.840 0.027 0.000 0.760 174 L CB -0.547 41.501 42.059 -0.019 0.000 0.910 174 L HN 0.313 nan 8.230 nan 0.000 0.437 175 L N -1.005 120.258 121.223 0.065 0.000 2.046 175 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 175 L C 2.504 179.440 176.870 0.110 0.000 1.077 175 L CA 0.849 55.756 54.840 0.112 0.000 0.747 175 L CB -0.429 41.672 42.059 0.071 0.000 0.896 175 L HN 0.052 nan 8.230 nan 0.000 0.432 176 V N -1.269 118.685 119.914 0.068 0.000 2.295 176 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 176 V C 2.655 178.790 176.094 0.068 0.000 1.049 176 V CA 2.056 64.391 62.300 0.058 0.000 1.024 176 V CB -0.318 31.528 31.823 0.039 0.000 0.648 176 V HN 0.433 nan 8.190 nan 0.000 0.447 177 S N -1.380 114.364 115.700 0.074 0.000 2.368 177 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 177 S C 1.999 176.650 174.600 0.085 0.000 1.030 177 S CA 1.898 60.141 58.200 0.072 0.000 0.999 177 S CB -0.410 62.834 63.200 0.073 0.000 0.844 177 S HN 0.666 nan 8.310 nan 0.000 0.459 178 Y N 2.570 122.873 120.300 0.004 0.000 2.133 178 Y HA -0.143 4.407 4.550 -0.000 0.000 0.287 178 Y C 2.750 178.667 175.900 0.028 0.000 1.134 178 Y CA 2.461 60.554 58.100 -0.013 0.000 1.133 178 Y CB -1.197 37.213 38.460 -0.084 0.000 0.987 178 Y HN 0.468 nan 8.280 nan 0.000 0.502 179 T N -1.375 113.145 114.554 -0.058 0.000 2.788 179 T HA -0.249 4.100 4.350 -0.000 0.000 0.268 179 T C 1.964 176.707 174.700 0.071 0.000 1.044 179 T CA 1.751 63.872 62.100 0.035 0.000 1.139 179 T CB -0.527 68.394 68.868 0.089 0.000 0.867 179 T HN 0.418 nan 8.240 nan 0.000 0.454 180 K N 1.051 121.469 120.400 0.030 0.000 2.025 180 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 180 K C 2.542 179.123 176.600 -0.031 0.000 1.049 180 K CA 1.533 57.836 56.287 0.026 0.000 0.933 180 K CB -0.329 32.188 32.500 0.029 0.000 0.714 180 K HN 0.357 nan 8.250 nan 0.000 0.438 181 S N 0.014 115.670 115.700 -0.073 0.000 2.383 181 S HA -0.149 4.321 4.470 -0.000 0.000 0.227 181 S C 1.601 176.097 174.600 -0.174 0.000 1.026 181 S CA 1.087 59.226 58.200 -0.103 0.000 0.981 181 S CB -0.450 62.707 63.200 -0.071 0.000 0.818 181 S HN 0.431 nan 8.310 nan 0.000 0.472 182 Y N 2.231 122.283 120.300 -0.412 0.000 2.145 182 Y HA -0.055 4.495 4.550 -0.000 0.000 0.286 182 Y C 1.895 177.588 175.900 -0.345 0.000 1.145 182 Y CA 1.296 59.115 58.100 -0.468 0.000 1.148 182 Y CB -0.382 37.624 38.460 -0.756 0.000 0.981 182 Y HN 0.120 nan 8.280 nan 0.000 0.507 183 L N -0.868 120.267 121.223 -0.148 0.000 2.131 183 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 183 L C 2.786 179.526 176.870 -0.218 0.000 1.092 183 L CA 1.560 56.316 54.840 -0.139 0.000 0.759 183 L CB -0.714 41.390 42.059 0.075 0.000 0.903 183 L HN 0.258 nan 8.230 nan 0.000 0.435 184 S N -0.131 115.463 115.700 -0.176 0.000 2.383 184 S HA -0.238 4.232 4.470 -0.000 0.000 0.227 184 S C 2.050 176.491 174.600 -0.264 0.000 1.026 184 S CA 1.357 59.455 58.200 -0.169 0.000 0.981 184 S CB -0.127 63.006 63.200 -0.113 0.000 0.818 184 S HN 0.400 nan 8.310 nan 0.000 0.472 185 M N 0.828 120.230 119.600 -0.331 0.000 2.132 185 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 185 M C 1.842 177.828 176.300 -0.523 0.000 1.065 185 M CA 1.701 56.767 55.300 -0.390 0.000 1.122 185 M CB -0.296 32.080 32.600 -0.374 0.000 1.365 185 M HN 0.261 nan 8.290 nan 0.000 0.411 186 V N 0.762 120.317 119.914 -0.598 0.000 2.343 186 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 186 V C 2.668 178.274 176.094 -0.812 0.000 1.051 186 V CA 2.095 63.996 62.300 -0.665 0.000 1.036 186 V CB -1.791 29.618 31.823 -0.690 0.000 0.654 186 V HN 0.747 nan 8.190 nan 0.000 0.451 187 G N 0.293 108.655 108.800 -0.730 0.000 2.459 187 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.217 187 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.217 187 G C 1.903 176.618 174.900 -0.309 0.000 1.183 187 G CA 1.558 46.349 45.100 -0.516 0.000 0.776 187 G HN 0.644 nan 8.290 nan 0.000 0.552 188 S N -0.415 115.103 115.700 -0.302 0.000 2.371 188 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 188 S C 2.347 176.754 174.600 -0.322 0.000 1.029 188 S CA 1.396 59.447 58.200 -0.249 0.000 0.978 188 S CB -0.842 62.229 63.200 -0.216 0.000 0.833 188 S HN 0.335 nan 8.310 nan 0.000 0.466 189 c N 1.187 119.478 118.600 -0.515 0.000 2.440 189 c HA 0.069 4.639 4.570 -0.000 0.000 0.278 189 c C 3.047 176.822 174.090 -0.525 0.000 1.295 189 c CA 0.249 56.163 56.329 -0.692 0.000 1.738 189 c CB -1.672 39.969 42.510 -1.448 0.000 1.987 189 c HN 0.729 nan 8.230 nan 0.000 0.492 190 c N 1.011 119.355 118.600 -0.427 0.000 2.432 190 c HA -0.071 4.498 4.570 -0.000 0.000 0.280 190 c C 2.613 176.651 174.090 -0.086 0.000 1.353 190 c CA 1.901 58.127 56.329 -0.171 0.000 1.766 190 c CB -1.617 40.831 42.510 -0.104 0.000 1.924 190 c HN 0.823 nan 8.230 nan 0.000 0.509 191 T N -2.365 112.128 114.554 -0.102 0.000 3.086 191 T HA 0.093 4.442 4.350 -0.000 0.000 0.250 191 T C 0.593 175.250 174.700 -0.071 0.000 1.074 191 T CA 0.315 62.385 62.100 -0.051 0.000 0.988 191 T CB -0.080 68.776 68.868 -0.020 0.000 0.988 191 T HN 0.339 nan 8.240 nan 0.000 0.530 192 S N 0.424 116.056 115.700 -0.113 0.000 2.584 192 S HA 0.551 5.021 4.470 -0.000 0.000 0.270 192 S C 1.749 176.310 174.600 -0.064 0.000 1.346 192 S CA -0.075 58.064 58.200 -0.102 0.000 1.018 192 S CB 0.610 63.721 63.200 -0.148 0.000 0.899 192 S HN 0.493 nan 8.310 nan 0.000 0.542 193 A N 2.772 125.561 122.820 -0.051 0.000 2.067 193 A HA 0.183 4.503 4.320 -0.000 0.000 0.219 193 A C 0.968 178.536 177.584 -0.027 0.000 1.158 193 A CA 0.878 52.896 52.037 -0.032 0.000 0.661 193 A CB -0.211 18.773 19.000 -0.027 0.000 0.801 193 A HN 0.712 nan 8.150 nan 0.000 0.452 194 S N -0.266 115.412 115.700 -0.035 0.000 2.216 194 S HA 0.365 4.835 4.470 -0.000 0.000 0.156 194 S C -2.316 172.268 174.600 -0.027 0.000 1.665 194 S CA -0.785 57.403 58.200 -0.021 0.000 1.262 194 S CB 1.292 64.482 63.200 -0.016 0.000 1.207 194 S HN 0.118 nan 8.310 nan 0.000 0.427 195 P HA -0.163 nan 4.420 nan 0.000 0.216 195 P C 1.523 178.889 177.300 0.110 0.000 1.157 195 P CA 1.566 64.660 63.100 -0.009 0.000 0.880 195 P CB -0.039 31.700 31.700 0.065 0.000 0.791 196 T N -0.868 113.764 114.554 0.130 0.000 2.708 196 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 196 T C 1.838 176.604 174.700 0.111 0.000 1.037 196 T CA 1.383 63.573 62.100 0.150 0.000 1.146 196 T CB -1.067 67.849 68.868 0.080 0.000 0.865 196 T HN -0.106 nan 8.240 nan 0.000 0.435 197 V N 0.833 120.776 119.914 0.049 0.000 2.295 197 V HA -0.202 3.917 4.120 -0.000 0.000 0.246 197 V C 2.835 178.932 176.094 0.005 0.000 1.049 197 V CA 1.609 63.923 62.300 0.023 0.000 1.024 197 V CB -0.807 31.017 31.823 0.002 0.000 0.648 197 V HN 0.706 nan 8.190 nan 0.000 0.447 198 c N -0.486 118.088 118.600 -0.044 0.000 2.429 198 c HA -0.190 4.380 4.570 -0.000 0.000 0.277 198 c C 2.545 176.561 174.090 -0.123 0.000 1.262 198 c CA 1.008 57.261 56.329 -0.127 0.000 1.733 198 c CB -1.272 41.093 42.510 -0.242 0.000 2.010 198 c HN 0.570 nan 8.230 nan 0.000 0.483 199 F N 0.257 120.165 119.950 -0.069 0.000 2.134 199 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 199 F C 2.413 178.185 175.800 -0.046 0.000 1.097 199 F CA 1.439 59.394 58.000 -0.075 0.000 1.264 199 F CB -0.287 38.672 39.000 -0.069 0.000 1.001 199 F HN 0.202 nan 8.300 nan 0.000 0.479 200 L N 0.541 121.862 121.223 0.164 0.000 2.027 200 L HA -0.256 4.083 4.340 -0.000 0.000 0.206 200 L C 2.502 179.409 176.870 0.062 0.000 1.074 200 L CA 1.732 56.630 54.840 0.096 0.000 0.745 200 L CB -0.561 41.537 42.059 0.065 0.000 0.898 200 L HN 0.158 nan 8.230 nan 0.000 0.433 201 K N -0.276 120.143 120.400 0.032 0.000 2.032 201 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 201 K C 1.821 178.424 176.600 0.005 0.000 1.048 201 K CA 1.711 58.002 56.287 0.008 0.000 0.927 201 K CB 0.029 32.518 32.500 -0.019 0.000 0.712 201 K HN 0.299 nan 8.250 nan 0.000 0.441 202 E N 0.392 120.586 120.200 -0.011 0.000 2.152 202 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 202 E C 2.143 178.761 176.600 0.029 0.000 0.983 202 E CA 0.829 57.216 56.400 -0.022 0.000 0.818 202 E CB -0.037 29.606 29.700 -0.095 0.000 0.758 202 E HN 0.353 nan 8.360 nan 0.000 0.467 203 R N 0.339 120.885 120.500 0.075 0.000 2.092 203 R HA 0.021 4.361 4.340 -0.000 0.000 0.231 203 R C 2.560 178.914 176.300 0.089 0.000 1.119 203 R CA 0.673 56.835 56.100 0.103 0.000 0.970 203 R CB -0.240 30.133 30.300 0.121 0.000 0.864 203 R HN 0.144 nan 8.270 nan 0.000 0.440 204 L N 0.467 121.732 121.223 0.069 0.000 2.141 204 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 204 L C 2.315 179.223 176.870 0.062 0.000 1.094 204 L CA 1.329 56.207 54.840 0.063 0.000 0.763 204 L CB -0.292 41.795 42.059 0.048 0.000 0.908 204 L HN 0.242 nan 8.230 nan 0.000 0.437 205 Q N -0.567 119.262 119.800 0.048 0.000 2.245 205 Q HA -0.155 4.184 4.340 -0.000 0.000 0.201 205 Q C 2.026 178.067 176.000 0.069 0.000 0.955 205 Q CA 0.869 56.698 55.803 0.042 0.000 0.870 205 Q CB 0.044 28.791 28.738 0.015 0.000 0.945 205 Q HN 0.314 nan 8.270 nan 0.000 0.461 206 L N 0.826 122.097 121.223 0.080 0.000 2.492 206 L HA -0.014 4.326 4.340 -0.000 0.000 0.223 206 L C 1.955 178.918 176.870 0.155 0.000 1.132 206 L CA 1.208 56.118 54.840 0.117 0.000 0.850 206 L CB -0.214 41.915 42.059 0.117 0.000 0.966 206 L HN -0.018 nan 8.230 nan 0.000 0.454 207 K N -0.845 119.635 120.400 0.134 0.000 2.034 207 K HA -0.350 3.970 4.320 -0.000 0.000 0.214 207 K C 2.194 178.865 176.600 0.118 0.000 1.051 207 K CA 2.171 58.533 56.287 0.124 0.000 0.931 207 K CB -0.345 32.221 32.500 0.109 0.000 0.715 207 K HN 0.551 nan 8.250 nan 0.000 0.446 208 H N 0.120 119.219 119.070 0.048 0.000 2.289 208 H HA -0.190 4.366 4.556 -0.000 0.000 0.296 208 H C 1.908 177.250 175.328 0.022 0.000 1.091 208 H CA 2.260 58.325 56.048 0.028 0.000 1.274 208 H CB -0.341 29.434 29.762 0.023 0.000 1.364 208 H HN 0.251 nan 8.280 nan 0.000 0.490 209 L N -0.343 120.920 121.223 0.067 0.000 2.093 209 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 209 L C 2.629 179.501 176.870 0.004 0.000 1.085 209 L CA 2.019 56.879 54.840 0.032 0.000 0.755 209 L CB -1.234 40.929 42.059 0.172 0.000 0.904 209 L HN 0.376 nan 8.230 nan 0.000 0.435 210 S N -0.954 114.792 115.700 0.076 0.000 2.356 210 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 210 S C 2.023 176.509 174.600 -0.190 0.000 1.032 210 S CA 1.636 59.805 58.200 -0.051 0.000 1.005 210 S CB -0.331 62.947 63.200 0.129 0.000 0.867 210 S HN 0.493 nan 8.310 nan 0.000 0.449 211 L N 0.518 121.665 121.223 -0.126 0.000 2.056 211 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 211 L C 2.449 179.177 176.870 -0.236 0.000 1.078 211 L CA 0.715 55.466 54.840 -0.149 0.000 0.749 211 L CB -0.483 41.522 42.059 -0.091 0.000 0.901 211 L HN 0.328 nan 8.230 nan 0.000 0.433 212 L N -0.408 120.637 121.223 -0.297 0.000 2.042 212 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 212 L C 2.482 179.194 176.870 -0.264 0.000 1.076 212 L CA 2.073 56.715 54.840 -0.330 0.000 0.749 212 L CB -0.678 41.163 42.059 -0.365 0.000 0.893 212 L HN 0.185 nan 8.230 nan 0.000 0.432 213 T N -1.735 112.671 114.554 -0.246 0.000 2.701 213 T HA -0.144 4.206 4.350 -0.000 0.000 0.263 213 T C 1.732 176.282 174.700 -0.250 0.000 1.040 213 T CA 1.857 63.815 62.100 -0.236 0.000 1.147 213 T CB -0.437 68.239 68.868 -0.321 0.000 0.865 213 T HN 0.376 nan 8.240 nan 0.000 0.426 214 T N 2.472 116.842 114.554 -0.306 0.000 2.708 214 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 214 T C 2.019 176.606 174.700 -0.187 0.000 1.037 214 T CA 0.911 62.847 62.100 -0.274 0.000 1.146 214 T CB -0.476 68.233 68.868 -0.264 0.000 0.865 214 T HN 0.199 nan 8.240 nan 0.000 0.435 215 L N 1.455 122.541 121.223 -0.229 0.000 2.093 215 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 215 L C 2.923 179.634 176.870 -0.266 0.000 1.085 215 L CA 1.391 56.063 54.840 -0.279 0.000 0.755 215 L CB -0.646 41.237 42.059 -0.293 0.000 0.904 215 L HN 0.387 nan 8.230 nan 0.000 0.435 216 S N -0.418 115.133 115.700 -0.249 0.000 2.402 216 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 216 S C 1.705 176.220 174.600 -0.142 0.000 1.021 216 S CA 1.411 59.485 58.200 -0.209 0.000 0.974 216 S CB -0.647 62.435 63.200 -0.197 0.000 0.800 216 S HN 0.481 nan 8.310 nan 0.000 0.484 217 N N 1.872 120.503 118.700 -0.116 0.000 2.120 217 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 217 N C 1.949 177.414 175.510 -0.074 0.000 1.024 217 N CA 1.397 54.407 53.050 -0.066 0.000 0.852 217 N CB -0.319 38.174 38.487 0.010 0.000 1.003 217 N HN 0.338 nan 8.380 nan 0.000 0.424 218 R N 0.541 120.982 120.500 -0.098 0.000 2.062 218 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 218 R C 2.165 178.413 176.300 -0.085 0.000 1.136 218 R CA 1.893 57.930 56.100 -0.106 0.000 0.948 218 R CB -1.121 29.077 30.300 -0.170 0.000 0.845 218 R HN 0.317 nan 8.270 nan 0.000 0.430 219 V N -1.917 117.930 119.914 -0.111 0.000 2.515 219 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 219 V C 2.243 178.350 176.094 0.021 0.000 1.058 219 V CA 1.770 64.059 62.300 -0.017 0.000 1.064 219 V CB -1.142 30.680 31.823 -0.002 0.000 0.675 219 V HN 0.339 nan 8.190 nan 0.000 0.461 220 c N 0.644 119.229 118.600 -0.024 0.000 2.446 220 c HA 0.018 4.587 4.570 -0.000 0.000 0.279 220 c C 3.158 177.273 174.090 0.041 0.000 1.366 220 c CA 1.226 57.563 56.329 0.013 0.000 1.763 220 c CB -1.163 41.323 42.510 -0.040 0.000 1.929 220 c HN 0.671 nan 8.230 nan 0.000 0.509 221 S N 0.713 116.402 115.700 -0.018 0.000 2.387 221 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 221 S C 1.862 176.422 174.600 -0.067 0.000 1.026 221 S CA 1.241 59.406 58.200 -0.057 0.000 0.972 221 S CB -0.276 62.867 63.200 -0.095 0.000 0.814 221 S HN 0.713 nan 8.310 nan 0.000 0.477 222 Q N -0.638 119.142 119.800 -0.034 0.000 2.172 222 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 222 Q C 1.817 177.826 176.000 0.015 0.000 0.964 222 Q CA 1.174 56.934 55.803 -0.072 0.000 0.855 222 Q CB -0.253 28.500 28.738 0.025 0.000 0.918 222 Q HN 0.667 nan 8.270 nan 0.000 0.444 223 Y N 1.072 121.370 120.300 -0.003 0.000 2.200 223 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 223 Y C 2.249 178.152 175.900 0.006 0.000 1.137 223 Y CA 1.250 59.374 58.100 0.039 0.000 1.163 223 Y CB -0.318 38.148 38.460 0.011 0.000 0.988 223 Y HN 0.066 nan 8.280 nan 0.000 0.518 224 A N 0.564 123.400 122.820 0.027 0.000 1.902 224 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 224 A C 2.396 179.887 177.584 -0.155 0.000 1.181 224 A CA 1.971 53.959 52.037 -0.083 0.000 0.623 224 A CB -1.483 17.475 19.000 -0.070 0.000 0.818 224 A HN 0.604 nan 8.150 nan 0.000 0.443 225 A N -1.828 120.893 122.820 -0.164 0.000 1.930 225 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 225 A C 2.126 179.624 177.584 -0.144 0.000 1.175 225 A CA 1.417 53.333 52.037 -0.201 0.000 0.627 225 A CB -0.626 18.187 19.000 -0.310 0.000 0.815 225 A HN 0.669 nan 8.150 nan 0.000 0.443 226 Y N -0.983 119.229 120.300 -0.147 0.000 2.301 226 Y HA 0.335 4.885 4.550 -0.000 0.000 0.295 226 Y C 1.563 177.328 175.900 -0.226 0.000 1.119 226 Y CA 0.190 58.198 58.100 -0.153 0.000 1.162 226 Y CB 0.119 38.512 38.460 -0.113 0.000 1.046 226 Y HN 0.547 nan 8.280 nan 0.000 0.538 227 G N 0.723 109.378 108.800 -0.241 0.000 2.663 227 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.686 227 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.686 227 G C 0.098 174.749 174.900 -0.415 0.000 1.246 227 G CA 0.000 44.877 45.100 -0.372 0.000 0.795 227 G HN 0.361 nan 8.290 nan 0.000 0.627 228 E N 0.375 120.363 120.200 -0.353 0.000 2.049 228 E HA -0.206 4.143 4.350 -0.000 0.000 0.198 228 E C 2.291 178.886 176.600 -0.007 0.000 1.007 228 E CA 1.989 58.360 56.400 -0.049 0.000 0.809 228 E CB -0.164 29.603 29.700 0.112 0.000 0.749 228 E HN 0.623 nan 8.360 nan 0.000 0.450 229 K N 0.217 120.594 120.400 -0.038 0.000 2.032 229 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 229 K C 2.357 178.913 176.600 -0.073 0.000 1.048 229 K CA 1.715 57.981 56.287 -0.035 0.000 0.927 229 K CB -0.108 32.371 32.500 -0.036 0.000 0.712 229 K HN 0.073 nan 8.250 nan 0.000 0.441 230 K N 0.433 120.759 120.400 -0.123 0.000 2.155 230 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 230 K C 2.357 178.767 176.600 -0.317 0.000 1.052 230 K CA 0.894 57.029 56.287 -0.252 0.000 0.948 230 K CB -0.016 32.293 32.500 -0.318 0.000 0.728 230 K HN 0.020 nan 8.250 nan 0.000 0.448 231 S N 1.217 116.841 115.700 -0.127 0.000 2.368 231 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 231 S C 2.050 176.673 174.600 0.038 0.000 1.030 231 S CA 1.198 59.420 58.200 0.037 0.000 0.999 231 S CB -0.069 63.250 63.200 0.197 0.000 0.844 231 S HN 0.254 nan 8.310 nan 0.000 0.459 232 R N -0.047 120.470 120.500 0.029 0.000 2.081 232 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 232 R C 2.351 178.652 176.300 0.003 0.000 1.131 232 R CA 1.606 57.726 56.100 0.034 0.000 0.960 232 R CB -0.475 29.845 30.300 0.033 0.000 0.856 232 R HN 0.486 nan 8.270 nan 0.000 0.436 233 L N 0.367 121.562 121.223 -0.048 0.000 2.005 233 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 233 L C 2.352 179.189 176.870 -0.055 0.000 1.072 233 L CA 2.329 57.136 54.840 -0.055 0.000 0.744 233 L CB -0.927 41.072 42.059 -0.100 0.000 0.895 233 L HN 0.173 nan 8.230 nan 0.000 0.433 234 S N -0.246 115.379 115.700 -0.126 0.000 2.365 234 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 234 S C 1.944 176.570 174.600 0.043 0.000 1.039 234 S CA 1.807 59.966 58.200 -0.068 0.000 1.033 234 S CB -0.565 62.564 63.200 -0.117 0.000 0.887 234 S HN 0.667 nan 8.310 nan 0.000 0.447 235 N N 1.030 119.769 118.700 0.064 0.000 2.223 235 N HA -0.079 4.660 4.740 -0.000 0.000 0.185 235 N C 1.670 177.232 175.510 0.086 0.000 1.016 235 N CA 1.195 54.302 53.050 0.094 0.000 0.863 235 N CB -0.507 38.042 38.487 0.103 0.000 0.983 235 N HN 0.406 nan 8.380 nan 0.000 0.429 236 L N 1.296 122.560 121.223 0.068 0.000 2.072 236 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 236 L C 1.985 178.919 176.870 0.107 0.000 1.079 236 L CA 1.091 55.979 54.840 0.081 0.000 0.752 236 L CB -0.472 41.626 42.059 0.066 0.000 0.906 236 L HN 0.026 nan 8.230 nan 0.000 0.436 237 I N -0.377 120.239 120.570 0.077 0.000 2.179 237 I HA -0.329 3.840 4.170 -0.000 0.000 0.242 237 I C 2.407 178.574 176.117 0.083 0.000 1.088 237 I CA 1.501 62.843 61.300 0.071 0.000 1.357 237 I CB -0.375 37.653 38.000 0.046 0.000 1.051 237 I HN 0.256 nan 8.210 nan 0.000 0.409 238 K N 0.573 121.025 120.400 0.087 0.000 2.097 238 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 238 K C 2.124 178.788 176.600 0.107 0.000 1.049 238 K CA 1.227 57.566 56.287 0.087 0.000 0.933 238 K CB -0.197 32.352 32.500 0.081 0.000 0.717 238 K HN 0.299 nan 8.250 nan 0.000 0.442 239 L N 0.544 121.839 121.223 0.120 0.000 2.056 239 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 239 L C 2.603 179.565 176.870 0.153 0.000 1.078 239 L CA 1.055 55.975 54.840 0.134 0.000 0.749 239 L CB -0.548 41.572 42.059 0.100 0.000 0.901 239 L HN 0.206 nan 8.230 nan 0.000 0.433 240 A N -0.471 122.458 122.820 0.182 0.000 1.908 240 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 240 A C 2.188 179.813 177.584 0.068 0.000 1.181 240 A CA 1.658 53.806 52.037 0.185 0.000 0.627 240 A CB -0.446 18.636 19.000 0.137 0.000 0.818 240 A HN 0.506 nan 8.150 nan 0.000 0.445 241 Q N -0.636 119.204 119.800 0.066 0.000 2.172 241 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 241 Q C 1.938 177.987 176.000 0.082 0.000 0.964 241 Q CA 1.388 57.222 55.803 0.052 0.000 0.855 241 Q CB -0.109 28.663 28.738 0.057 0.000 0.918 241 Q HN 0.649 nan 8.270 nan 0.000 0.444 242 K N -0.073 120.408 120.400 0.134 0.000 2.167 242 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 242 K C 0.646 177.428 176.600 0.302 0.000 1.052 242 K CA 0.666 57.083 56.287 0.217 0.000 0.956 242 K CB 0.558 33.248 32.500 0.316 0.000 0.735 242 K HN -0.063 nan 8.250 nan 0.000 0.451 243 V N 2.834 122.869 119.914 0.201 0.000 2.464 243 V HA 0.164 4.284 4.120 -0.000 0.000 0.255 243 V C -2.403 173.746 176.094 0.091 0.000 0.946 243 V CA -1.623 60.748 62.300 0.118 0.000 0.988 243 V CB 1.271 33.037 31.823 -0.096 0.000 1.210 243 V HN 0.007 nan 8.190 nan 0.000 0.523 244 P HA -0.069 nan 4.420 nan 0.000 0.230 244 P C 1.148 178.456 177.300 0.013 0.000 1.158 244 P CA 1.458 64.554 63.100 -0.007 0.000 0.769 244 P CB -0.057 31.615 31.700 -0.046 0.000 0.807 245 T N -3.923 110.657 114.554 0.044 0.000 3.107 245 T HA 0.430 4.780 4.350 -0.000 0.000 0.249 245 T C 0.975 175.720 174.700 0.076 0.000 1.096 245 T CA -0.216 61.911 62.100 0.045 0.000 1.012 245 T CB -0.266 68.620 68.868 0.030 0.000 0.977 245 T HN 0.042 nan 8.240 nan 0.000 0.527 246 A N 1.381 124.271 122.820 0.117 0.000 2.257 246 A HA 0.544 4.864 4.320 -0.000 0.000 0.289 246 A C -0.043 177.655 177.584 0.190 0.000 1.095 246 A CA -0.750 51.345 52.037 0.097 0.000 0.836 246 A CB 0.318 19.330 19.000 0.020 0.000 1.111 246 A HN 0.412 nan 8.150 nan 0.000 0.497 247 D N -0.148 120.269 120.400 0.028 0.000 2.312 247 D HA 0.215 4.855 4.640 -0.000 0.000 0.248 247 D C 1.188 177.257 176.300 -0.385 0.000 1.086 247 D CA -0.446 53.527 54.000 -0.045 0.000 0.948 247 D CB 1.378 42.145 40.800 -0.055 0.000 1.162 247 D HN 0.356 nan 8.370 nan 0.000 0.446 248 L N 1.510 122.354 121.223 -0.632 0.000 2.079 248 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 248 L C 1.618 178.207 176.870 -0.468 0.000 1.081 248 L CA 1.949 56.214 54.840 -0.959 0.000 0.752 248 L CB -0.377 41.320 42.059 -0.604 0.000 0.896 248 L HN 0.263 nan 8.230 nan 0.000 0.433 249 E N -0.112 119.925 120.200 -0.271 0.000 2.338 249 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 249 E C 1.711 178.218 176.600 -0.155 0.000 1.007 249 E CA 1.081 57.380 56.400 -0.169 0.000 0.849 249 E CB -0.295 29.340 29.700 -0.108 0.000 0.774 249 E HN 0.599 nan 8.360 nan 0.000 0.506 250 D N -0.864 119.427 120.400 -0.183 0.000 2.271 250 D HA -0.057 4.583 4.640 -0.000 0.000 0.206 250 D C 1.838 178.045 176.300 -0.156 0.000 0.967 250 D CA 1.150 55.061 54.000 -0.149 0.000 0.867 250 D CB 0.410 41.129 40.800 -0.136 0.000 0.960 250 D HN 0.280 nan 8.370 nan 0.000 0.509 251 V N -1.308 118.486 119.914 -0.200 0.000 3.212 251 V HA 0.079 4.199 4.120 -0.000 0.000 0.244 251 V C 2.249 178.279 176.094 -0.107 0.000 1.151 251 V CA 0.000 62.214 62.300 -0.144 0.000 1.119 251 V CB -0.443 31.309 31.823 -0.119 0.000 0.838 251 V HN -0.047 nan 8.190 nan 0.000 0.470 252 L N 2.309 123.437 121.223 -0.157 0.000 2.043 252 L HA 0.016 4.356 4.340 -0.000 0.000 0.212 252 L C 0.237 177.083 176.870 -0.041 0.000 1.075 252 L CA 2.885 57.667 54.840 -0.096 0.000 0.752 252 L CB -1.524 40.462 42.059 -0.120 0.000 0.891 252 L HN 0.314 nan 8.230 nan 0.000 0.432 253 P HA -0.155 nan 4.420 nan 0.000 0.221 253 P C 2.079 179.399 177.300 0.034 0.000 1.150 253 P CA 1.428 64.523 63.100 -0.008 0.000 0.800 253 P CB 0.035 31.722 31.700 -0.022 0.000 0.787 254 L N -0.425 120.819 121.223 0.035 0.000 2.072 254 L HA -0.074 4.265 4.340 -0.000 0.000 0.205 254 L C 2.816 179.789 176.870 0.173 0.000 1.079 254 L CA 1.455 56.368 54.840 0.122 0.000 0.752 254 L CB -1.194 40.898 42.059 0.056 0.000 0.906 254 L HN -0.065 nan 8.230 nan 0.000 0.436 255 A N 0.026 122.900 122.820 0.090 0.000 1.902 255 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 255 A C 2.168 179.789 177.584 0.063 0.000 1.181 255 A CA 1.554 53.639 52.037 0.080 0.000 0.623 255 A CB -0.374 18.658 19.000 0.053 0.000 0.818 255 A HN 0.447 nan 8.150 nan 0.000 0.443 256 E N -0.653 119.577 120.200 0.049 0.000 2.106 256 E HA -0.190 4.159 4.350 -0.000 0.000 0.192 256 E C 1.691 178.311 176.600 0.033 0.000 0.984 256 E CA 1.101 57.523 56.400 0.037 0.000 0.806 256 E CB -0.178 29.537 29.700 0.025 0.000 0.750 256 E HN 0.708 nan 8.360 nan 0.000 0.458 257 D N 0.909 121.345 120.400 0.060 0.000 2.097 257 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 257 D C 1.877 178.145 176.300 -0.053 0.000 0.989 257 D CA 0.676 54.711 54.000 0.059 0.000 0.827 257 D CB -0.021 40.889 40.800 0.185 0.000 0.966 257 D HN 0.039 nan 8.370 nan 0.000 0.456 258 I N 0.140 120.627 120.570 -0.140 0.000 2.286 258 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 258 I C 1.999 178.036 176.117 -0.134 0.000 1.115 258 I CA 1.476 62.588 61.300 -0.313 0.000 1.392 258 I CB -0.640 37.192 38.000 -0.280 0.000 1.065 258 I HN 0.005 nan 8.210 nan 0.000 0.418 259 T N 0.500 115.032 114.554 -0.037 0.000 2.777 259 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 259 T C 1.728 176.401 174.700 -0.045 0.000 1.040 259 T CA 1.932 64.040 62.100 0.015 0.000 1.141 259 T CB -0.541 68.373 68.868 0.078 0.000 0.868 259 T HN 0.504 nan 8.240 nan 0.000 0.444 260 N N 0.667 119.342 118.700 -0.042 0.000 2.084 260 N HA 0.009 4.749 4.740 -0.000 0.000 0.190 260 N C 1.847 177.294 175.510 -0.106 0.000 1.030 260 N CA 0.940 53.960 53.050 -0.051 0.000 0.849 260 N CB -0.236 38.237 38.487 -0.023 0.000 1.012 260 N HN 0.288 nan 8.380 nan 0.000 0.423 261 I N 1.235 121.729 120.570 -0.127 0.000 2.208 261 I HA -0.275 3.894 4.170 -0.000 0.000 0.245 261 I C 1.988 177.971 176.117 -0.225 0.000 1.097 261 I CA 1.087 62.295 61.300 -0.153 0.000 1.363 261 I CB -0.224 37.677 38.000 -0.166 0.000 1.051 261 I HN 0.171 nan 8.210 nan 0.000 0.413 262 L N 0.188 121.224 121.223 -0.311 0.000 2.056 262 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 262 L C 2.791 179.211 176.870 -0.750 0.000 1.078 262 L CA 1.644 56.170 54.840 -0.523 0.000 0.749 262 L CB -0.763 40.919 42.059 -0.627 0.000 0.901 262 L HN 0.345 nan 8.230 nan 0.000 0.433 263 S N -0.392 114.900 115.700 -0.680 0.000 2.423 263 S HA -0.223 4.246 4.470 -0.000 0.000 0.231 263 S C 1.916 176.405 174.600 -0.186 0.000 1.014 263 S CA 1.257 59.217 58.200 -0.401 0.000 0.965 263 S CB -0.185 62.990 63.200 -0.042 0.000 0.785 263 S HN 0.426 nan 8.310 nan 0.000 0.495 264 K N 0.203 120.499 120.400 -0.174 0.000 2.141 264 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 264 K C 1.726 178.263 176.600 -0.106 0.000 1.045 264 K CA 1.100 57.324 56.287 -0.104 0.000 0.971 264 K CB -0.264 32.188 32.500 -0.080 0.000 0.795 264 K HN 0.431 nan 8.250 nan 0.000 0.459 265 c N 0.481 118.998 118.600 -0.138 0.000 2.533 265 c HA 0.117 4.687 4.570 -0.000 0.000 0.272 265 c C 2.700 176.717 174.090 -0.120 0.000 1.371 265 c CA -0.387 55.871 56.329 -0.118 0.000 1.758 265 c CB -0.795 41.641 42.510 -0.123 0.000 1.972 265 c HN 0.650 nan 8.230 nan 0.000 0.522 266 c N 0.701 119.205 118.600 -0.160 0.000 2.413 266 c HA -0.095 4.475 4.570 -0.000 0.000 0.276 266 c C 2.126 176.177 174.090 -0.065 0.000 1.236 266 c CA 1.184 57.440 56.329 -0.123 0.000 1.735 266 c CB -0.930 41.492 42.510 -0.146 0.000 2.031 266 c HN 0.578 nan 8.230 nan 0.000 0.474 267 E N 0.703 120.874 120.200 -0.049 0.000 2.496 267 E HA 0.132 4.482 4.350 -0.000 0.000 0.200 267 E C 0.380 176.969 176.600 -0.019 0.000 1.016 267 E CA 0.027 56.416 56.400 -0.019 0.000 0.962 267 E CB 0.308 30.010 29.700 0.004 0.000 1.071 267 E HN 0.468 nan 8.360 nan 0.000 0.457 268 S N -0.045 115.635 115.700 -0.032 0.000 2.580 268 S HA 0.340 4.810 4.470 -0.000 0.000 0.274 268 S C 1.058 175.650 174.600 -0.014 0.000 1.329 268 S CA 0.215 58.402 58.200 -0.023 0.000 1.036 268 S CB 1.306 64.486 63.200 -0.033 0.000 0.919 268 S HN 0.220 nan 8.310 nan 0.000 0.515 269 A N 3.367 126.187 122.820 -0.001 0.000 2.195 269 A HA 0.303 4.623 4.320 -0.000 0.000 0.210 269 A C 1.185 178.772 177.584 0.005 0.000 1.165 269 A CA 0.143 52.184 52.037 0.006 0.000 0.806 269 A CB -0.519 18.495 19.000 0.023 0.000 0.847 269 A HN 0.794 nan 8.150 nan 0.000 0.482 270 S N 0.132 115.831 115.700 -0.001 0.000 2.558 270 S HA -0.042 4.428 4.470 -0.000 0.000 0.291 270 S C 0.881 175.479 174.600 -0.002 0.000 1.306 270 S CA 0.276 58.475 58.200 -0.002 0.000 1.056 270 S CB 0.532 63.727 63.200 -0.008 0.000 0.836 270 S HN 0.562 nan 8.310 nan 0.000 0.504 271 E N 1.581 121.782 120.200 0.003 0.000 2.502 271 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 271 E C 0.133 176.736 176.600 0.005 0.000 1.062 271 E CA 0.720 57.124 56.400 0.007 0.000 0.867 271 E CB 0.089 29.798 29.700 0.014 0.000 0.888 271 E HN 0.787 nan 8.360 nan 0.000 0.510 272 D N -1.817 118.582 120.400 -0.002 0.000 2.936 272 D HA -0.061 4.579 4.640 -0.000 0.000 0.297 272 D C 0.886 177.178 176.300 -0.014 0.000 1.677 272 D CA -0.320 53.678 54.000 -0.003 0.000 0.821 272 D CB -1.156 39.648 40.800 0.007 0.000 1.358 272 D HN 0.097 nan 8.370 nan 0.000 0.448 273 c N 0.478 119.063 118.600 -0.025 0.000 2.491 273 c HA -0.082 4.488 4.570 -0.000 0.000 0.283 273 c C 2.548 176.608 174.090 -0.051 0.000 1.238 273 c CA 1.622 57.929 56.329 -0.036 0.000 1.735 273 c CB -0.880 41.604 42.510 -0.044 0.000 2.080 273 c HN 0.470 nan 8.230 nan 0.000 0.463 274 M N 1.659 121.217 119.600 -0.070 0.000 2.117 274 M HA 0.019 4.499 4.480 -0.000 0.000 0.262 274 M C 2.164 178.409 176.300 -0.092 0.000 1.065 274 M CA 2.309 57.549 55.300 -0.101 0.000 1.114 274 M CB -0.791 31.735 32.600 -0.123 0.000 1.361 274 M HN 0.441 nan 8.290 nan 0.000 0.408 275 A N -0.708 122.077 122.820 -0.059 0.000 2.024 275 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 275 A C 2.243 179.832 177.584 0.007 0.000 1.164 275 A CA 2.103 54.126 52.037 -0.023 0.000 0.643 275 A CB -0.711 18.299 19.000 0.015 0.000 0.806 275 A HN 0.613 nan 8.150 nan 0.000 0.451 276 K N -0.961 119.436 120.400 -0.006 0.000 2.141 276 K HA -0.027 4.292 4.320 -0.000 0.000 0.202 276 K C 1.821 178.421 176.600 0.001 0.000 1.045 276 K CA 0.707 56.998 56.287 0.006 0.000 0.971 276 K CB -0.032 32.470 32.500 0.003 0.000 0.795 276 K HN 0.362 nan 8.250 nan 0.000 0.459 277 E N 1.362 121.550 120.200 -0.019 0.000 2.028 277 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 277 E C 2.187 178.783 176.600 -0.007 0.000 0.988 277 E CA 0.829 57.220 56.400 -0.015 0.000 0.799 277 E CB -0.274 29.400 29.700 -0.043 0.000 0.755 277 E HN 0.308 nan 8.360 nan 0.000 0.447 278 L N 0.683 121.860 121.223 -0.076 0.000 1.978 278 L HA -0.204 4.135 4.340 -0.000 0.000 0.218 278 L C -0.389 176.473 176.870 -0.012 0.000 1.075 278 L CA 1.930 56.692 54.840 -0.129 0.000 0.767 278 L CB -1.577 40.276 42.059 -0.342 0.000 0.890 278 L HN 0.116 nan 8.230 nan 0.000 0.434 279 P HA -0.208 nan 4.420 nan 0.000 0.216 279 P C 1.288 178.640 177.300 0.087 0.000 1.150 279 P CA 1.358 64.497 63.100 0.064 0.000 0.837 279 P CB 0.045 31.798 31.700 0.088 0.000 0.786 280 E N -1.548 118.697 120.200 0.076 0.000 2.150 280 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 280 E C 1.981 178.646 176.600 0.108 0.000 0.985 280 E CA 0.745 57.190 56.400 0.074 0.000 0.814 280 E CB -0.306 29.428 29.700 0.057 0.000 0.752 280 E HN 0.273 nan 8.360 nan 0.000 0.466 281 H N -0.347 118.755 119.070 0.054 0.000 2.389 281 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 281 H C 1.853 177.255 175.328 0.125 0.000 1.081 281 H CA 2.180 58.280 56.048 0.087 0.000 1.345 281 H CB -0.270 29.562 29.762 0.116 0.000 1.393 281 H HN 0.050 nan 8.280 nan 0.000 0.520 282 T N -0.216 114.407 114.554 0.115 0.000 2.759 282 T HA -0.133 4.216 4.350 -0.000 0.000 0.269 282 T C 2.181 176.888 174.700 0.012 0.000 1.042 282 T CA 1.380 63.533 62.100 0.088 0.000 1.140 282 T CB -0.430 68.555 68.868 0.195 0.000 0.864 282 T HN 0.161 nan 8.240 nan 0.000 0.455 283 V N 1.201 121.126 119.914 0.018 0.000 2.427 283 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 283 V C 2.455 178.533 176.094 -0.026 0.000 1.051 283 V CA 1.469 63.773 62.300 0.008 0.000 1.048 283 V CB -0.461 31.373 31.823 0.018 0.000 0.666 283 V HN 0.411 nan 8.190 nan 0.000 0.456 284 K N -0.208 120.157 120.400 -0.058 0.000 2.097 284 K HA -0.124 4.195 4.320 -0.000 0.000 0.205 284 K C 2.179 178.708 176.600 -0.119 0.000 1.050 284 K CA 1.198 57.439 56.287 -0.077 0.000 0.938 284 K CB -0.129 32.331 32.500 -0.067 0.000 0.718 284 K HN 0.387 nan 8.250 nan 0.000 0.442 285 L N 0.483 121.592 121.223 -0.191 0.000 2.017 285 L HA -0.252 4.087 4.340 -0.000 0.000 0.208 285 L C 2.241 179.067 176.870 -0.073 0.000 1.073 285 L CA 1.448 56.188 54.840 -0.167 0.000 0.745 285 L CB -0.212 41.735 42.059 -0.186 0.000 0.894 285 L HN 0.324 nan 8.230 nan 0.000 0.432 286 c N -0.292 118.296 118.600 -0.021 0.000 2.457 286 c HA -0.113 4.457 4.570 -0.000 0.000 0.278 286 c C 2.280 176.364 174.090 -0.010 0.000 1.309 286 c CA 0.523 56.862 56.329 0.018 0.000 1.735 286 c CB -0.926 41.609 42.510 0.042 0.000 1.992 286 c HN 0.583 nan 8.230 nan 0.000 0.493 287 D N 1.017 121.403 120.400 -0.023 0.000 2.149 287 D HA -0.095 4.544 4.640 -0.000 0.000 0.198 287 D C 1.788 178.063 176.300 -0.042 0.000 0.990 287 D CA 1.319 55.304 54.000 -0.025 0.000 0.839 287 D CB -0.463 40.323 40.800 -0.024 0.000 0.948 287 D HN 0.459 nan 8.370 nan 0.000 0.460 288 N N -0.647 118.013 118.700 -0.066 0.000 2.290 288 N HA 0.085 4.825 4.740 -0.000 0.000 0.179 288 N C 1.378 176.814 175.510 -0.124 0.000 1.016 288 N CA 0.518 53.514 53.050 -0.091 0.000 0.871 288 N CB 0.202 38.624 38.487 -0.108 0.000 0.987 288 N HN 0.174 nan 8.380 nan 0.000 0.431 289 L N -0.307 120.821 121.223 -0.158 0.000 2.858 289 L HA 0.258 4.598 4.340 -0.000 0.000 0.251 289 L C 1.579 178.388 176.870 -0.102 0.000 1.149 289 L CA 0.023 54.715 54.840 -0.247 0.000 0.955 289 L CB 0.081 41.762 42.059 -0.630 0.000 1.289 289 L HN 0.060 nan 8.230 nan 0.000 0.542 290 S N -0.520 115.178 115.700 -0.003 0.000 2.465 290 S HA -0.167 4.303 4.470 -0.000 0.000 0.241 290 S C 1.691 176.326 174.600 0.058 0.000 1.000 290 S CA 1.655 59.896 58.200 0.069 0.000 0.964 290 S CB -0.649 62.583 63.200 0.052 0.000 0.763 290 S HN 0.559 nan 8.310 nan 0.000 0.512 291 T N -2.720 111.845 114.554 0.019 0.000 3.044 291 T HA 0.385 4.735 4.350 -0.000 0.000 0.260 291 T C 1.307 176.016 174.700 0.014 0.000 1.019 291 T CA -0.580 61.532 62.100 0.020 0.000 0.921 291 T CB 0.160 69.032 68.868 0.006 0.000 1.053 291 T HN 0.085 nan 8.240 nan 0.000 0.533 292 K N 2.419 122.817 120.400 -0.005 0.000 2.217 292 K HA 0.118 4.438 4.320 -0.000 0.000 0.202 292 K C 0.494 177.119 176.600 0.041 0.000 1.051 292 K CA 0.760 57.039 56.287 -0.013 0.000 0.952 292 K CB -0.305 32.137 32.500 -0.097 0.000 0.736 292 K HN 0.801 nan 8.250 nan 0.000 0.453 293 N N -3.027 115.732 118.700 0.098 0.000 3.043 293 N HA -0.036 4.704 4.740 -0.000 0.000 0.243 293 N C 0.365 175.950 175.510 0.125 0.000 1.347 293 N CA 0.169 53.287 53.050 0.112 0.000 0.896 293 N CB 0.636 39.205 38.487 0.136 0.000 1.501 293 N HN -0.181 nan 8.380 nan 0.000 0.504 294 S N 0.583 116.330 115.700 0.078 0.000 2.380 294 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 294 S C 1.242 175.870 174.600 0.047 0.000 1.043 294 S CA 1.256 59.488 58.200 0.054 0.000 1.038 294 S CB -0.529 62.689 63.200 0.029 0.000 0.872 294 S HN 0.635 nan 8.310 nan 0.000 0.456 295 K N 0.169 120.590 120.400 0.036 0.000 2.057 295 K HA 0.001 4.321 4.320 -0.000 0.000 0.207 295 K C 1.853 178.387 176.600 -0.109 0.000 1.049 295 K CA 1.617 57.870 56.287 -0.055 0.000 0.931 295 K CB -0.406 32.025 32.500 -0.114 0.000 0.714 295 K HN 0.436 nan 8.250 nan 0.000 0.440 296 F N 1.469 121.419 119.950 0.001 0.000 2.259 296 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 296 F C 2.533 178.334 175.800 0.001 0.000 1.088 296 F CA 1.132 59.131 58.000 -0.002 0.000 1.358 296 F CB -0.090 38.907 39.000 -0.005 0.000 1.040 296 F HN 0.161 nan 8.300 nan 0.000 0.505 297 E N 0.403 120.700 120.200 0.163 0.000 2.077 297 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 297 E C 1.595 178.228 176.600 0.056 0.000 0.989 297 E CA 1.725 58.183 56.400 0.095 0.000 0.800 297 E CB -0.050 29.692 29.700 0.070 0.000 0.746 297 E HN 0.270 nan 8.360 nan 0.000 0.452 298 D N 0.124 120.542 120.400 0.029 0.000 2.097 298 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 298 D C 2.078 178.380 176.300 0.002 0.000 0.984 298 D CA 1.034 55.039 54.000 0.008 0.000 0.826 298 D CB -0.649 40.145 40.800 -0.010 0.000 0.973 298 D HN 0.286 nan 8.370 nan 0.000 0.460 299 c N 0.461 119.045 118.600 -0.027 0.000 2.413 299 c HA -0.160 4.410 4.570 -0.000 0.000 0.276 299 c C 2.828 176.933 174.090 0.025 0.000 1.248 299 c CA 0.374 56.685 56.329 -0.030 0.000 1.742 299 c CB -0.831 41.606 42.510 -0.121 0.000 2.017 299 c HN 0.428 nan 8.230 nan 0.000 0.481 300 c N 0.375 119.009 118.600 0.056 0.000 2.511 300 c HA -0.027 4.543 4.570 -0.000 0.000 0.277 300 c C 2.283 176.404 174.090 0.051 0.000 1.451 300 c CA 0.565 56.935 56.329 0.069 0.000 1.735 300 c CB -1.915 40.650 42.510 0.091 0.000 1.704 300 c HN 0.654 nan 8.230 nan 0.000 0.571 301 Q N 0.281 120.106 119.800 0.041 0.000 2.356 301 Q HA 0.060 4.400 4.340 -0.000 0.000 0.205 301 Q C 0.492 176.512 176.000 0.034 0.000 0.901 301 Q CA 0.172 55.995 55.803 0.034 0.000 0.938 301 Q CB 0.269 29.023 28.738 0.028 0.000 1.081 301 Q HN 0.646 nan 8.270 nan 0.000 0.517 302 E N 1.156 121.380 120.200 0.039 0.000 2.418 302 E HA -0.055 4.295 4.350 -0.000 0.000 0.261 302 E C 0.767 177.395 176.600 0.047 0.000 1.070 302 E CA 0.232 56.658 56.400 0.044 0.000 0.931 302 E CB 0.708 30.440 29.700 0.053 0.000 0.954 302 E HN -0.006 nan 8.360 nan 0.000 0.439 303 K N 0.483 120.911 120.400 0.046 0.000 2.103 303 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 303 K C 1.217 177.847 176.600 0.049 0.000 1.052 303 K CA 0.866 57.179 56.287 0.042 0.000 0.945 303 K CB -0.242 32.280 32.500 0.037 0.000 0.722 303 K HN 0.701 nan 8.250 nan 0.000 0.443 304 T N -3.605 110.987 114.554 0.065 0.000 2.932 304 T HA 0.612 4.962 4.350 -0.000 0.000 0.289 304 T C 1.207 175.968 174.700 0.101 0.000 1.039 304 T CA -0.278 61.869 62.100 0.079 0.000 1.024 304 T CB 2.116 71.042 68.868 0.097 0.000 1.090 304 T HN -0.015 nan 8.240 nan 0.000 0.496 305 A N 1.700 124.588 122.820 0.114 0.000 1.908 305 A HA -0.033 4.286 4.320 -0.000 0.000 0.218 305 A C 2.246 179.922 177.584 0.154 0.000 1.181 305 A CA 1.462 53.577 52.037 0.130 0.000 0.627 305 A CB -0.889 18.188 19.000 0.128 0.000 0.818 305 A HN 0.760 nan 8.150 nan 0.000 0.445 306 M N -0.082 119.606 119.600 0.146 0.000 2.319 306 M HA -0.060 4.419 4.480 -0.000 0.000 0.265 306 M C 1.242 177.623 176.300 0.135 0.000 1.068 306 M CA 0.916 56.278 55.300 0.103 0.000 1.118 306 M CB -1.370 31.234 32.600 0.008 0.000 1.395 306 M HN 0.355 nan 8.290 nan 0.000 0.435 307 D N 0.077 120.552 120.400 0.124 0.000 2.117 307 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 307 D C 2.233 178.600 176.300 0.112 0.000 0.982 307 D CA 1.077 55.143 54.000 0.110 0.000 0.828 307 D CB 0.051 40.906 40.800 0.091 0.000 0.967 307 D HN 0.161 nan 8.370 nan 0.000 0.464 308 V N 0.785 120.771 119.914 0.120 0.000 2.358 308 V HA -0.208 3.911 4.120 -0.000 0.000 0.246 308 V C 2.192 178.357 176.094 0.117 0.000 1.047 308 V CA 1.132 63.495 62.300 0.105 0.000 1.035 308 V CB -0.563 31.326 31.823 0.110 0.000 0.658 308 V HN 0.070 nan 8.190 nan 0.000 0.452 309 F N 0.478 120.447 119.950 0.033 0.000 2.134 309 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 309 F C 2.260 178.057 175.800 -0.004 0.000 1.097 309 F CA 1.732 59.749 58.000 0.029 0.000 1.264 309 F CB -0.164 38.839 39.000 0.006 0.000 1.001 309 F HN -0.072 nan 8.300 nan 0.000 0.479 310 V N -0.903 119.111 119.914 0.168 0.000 2.295 310 V HA -0.370 3.750 4.120 -0.000 0.000 0.246 310 V C 2.699 178.790 176.094 -0.004 0.000 1.049 310 V CA 1.878 64.192 62.300 0.024 0.000 1.024 310 V CB -0.937 30.950 31.823 0.106 0.000 0.648 310 V HN 0.694 nan 8.190 nan 0.000 0.447 311 c N 0.838 119.465 118.600 0.044 0.000 2.432 311 c HA -0.180 4.390 4.570 -0.000 0.000 0.277 311 c C 3.262 177.299 174.090 -0.088 0.000 1.249 311 c CA 2.133 58.475 56.329 0.022 0.000 1.725 311 c CB -1.171 41.337 42.510 -0.003 0.000 2.028 311 c HN 0.775 nan 8.230 nan 0.000 0.477 312 T N -2.323 112.135 114.554 -0.160 0.000 2.904 312 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 312 T C 1.709 176.268 174.700 -0.235 0.000 1.059 312 T CA 1.631 63.584 62.100 -0.246 0.000 1.137 312 T CB -0.813 67.956 68.868 -0.165 0.000 0.879 312 T HN 0.688 nan 8.240 nan 0.000 0.467 313 Y N 1.134 121.188 120.300 -0.409 0.000 2.200 313 Y HA 0.182 4.732 4.550 -0.000 0.000 0.290 313 Y C 1.679 177.444 175.900 -0.225 0.000 1.137 313 Y CA 0.483 58.333 58.100 -0.416 0.000 1.163 313 Y CB -0.467 37.650 38.460 -0.573 0.000 0.988 313 Y HN 0.291 nan 8.280 nan 0.000 0.518 314 F N -0.277 119.561 119.950 -0.187 0.000 2.710 314 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 314 F C 1.307 176.984 175.800 -0.204 0.000 1.137 314 F CA -0.322 57.552 58.000 -0.209 0.000 1.444 314 F CB -0.018 38.955 39.000 -0.044 0.000 1.111 314 F HN -0.049 nan 8.300 nan 0.000 0.580 315 M N 3.873 123.440 119.600 -0.056 0.000 2.284 315 M HA 0.076 4.556 4.480 -0.000 0.000 0.351 315 M C -2.127 174.123 176.300 -0.083 0.000 1.443 315 M CA -1.538 53.699 55.300 -0.106 0.000 1.031 315 M CB 0.501 32.959 32.600 -0.236 0.000 1.893 315 M HN -0.219 nan 8.290 nan 0.000 0.456 316 P HA 0.246 nan 4.420 nan 0.000 0.277 316 P C -1.259 176.034 177.300 -0.011 0.000 1.271 316 P CA -0.506 62.577 63.100 -0.028 0.000 0.795 316 P CB 0.466 32.153 31.700 -0.022 0.000 1.101 317 A N 0.578 123.407 122.820 0.016 0.000 2.498 317 A HA 0.443 4.763 4.320 -0.000 0.000 0.239 317 A C 0.755 178.349 177.584 0.017 0.000 1.068 317 A CA 0.091 52.148 52.037 0.033 0.000 0.766 317 A CB -0.696 18.339 19.000 0.058 0.000 1.003 317 A HN 0.680 nan 8.150 nan 0.000 0.497 318 A N 1.843 124.677 122.820 0.023 0.000 2.280 318 A HA 0.504 4.824 4.320 -0.000 0.000 0.268 318 A C 0.266 177.835 177.584 -0.025 0.000 1.111 318 A CA -0.437 51.605 52.037 0.007 0.000 0.814 318 A CB 0.105 19.125 19.000 0.033 0.000 1.093 318 A HN 0.801 nan 8.150 nan 0.000 0.498 319 Q N 0.709 120.483 119.800 -0.042 0.000 2.296 319 Q HA 0.234 4.574 4.340 -0.000 0.000 0.263 319 Q C -0.614 175.343 176.000 -0.071 0.000 1.026 319 Q CA 0.340 56.093 55.803 -0.082 0.000 0.912 319 Q CB 0.511 29.205 28.738 -0.074 0.000 1.198 319 Q HN 0.525 nan 8.270 nan 0.000 0.407 320 L N 5.390 126.556 121.223 -0.095 0.000 2.462 320 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 320 L C -1.703 175.127 176.870 -0.067 0.000 1.166 320 L CA -1.594 53.202 54.840 -0.073 0.000 0.880 320 L CB -0.233 41.785 42.059 -0.069 0.000 1.142 320 L HN 0.270 nan 8.230 nan 0.000 0.473 321 P HA 0.091 nan 4.420 nan 0.000 0.270 321 P C -0.674 176.600 177.300 -0.044 0.000 1.223 321 P CA -0.354 62.720 63.100 -0.044 0.000 0.785 321 P CB 0.546 32.224 31.700 -0.037 0.000 0.923 322 E N 1.118 121.297 120.200 -0.035 0.000 2.229 322 E HA 0.404 4.754 4.350 -0.000 0.000 0.283 322 E C -0.640 175.945 176.600 -0.025 0.000 1.030 322 E CA -0.134 56.249 56.400 -0.028 0.000 0.836 322 E CB 0.215 29.902 29.700 -0.022 0.000 1.068 322 E HN 0.291 nan 8.360 nan 0.000 0.401 323 L N 3.797 125.005 121.223 -0.025 0.000 2.469 323 L HA 0.515 4.855 4.340 -0.000 0.000 0.256 323 L C -2.183 174.678 176.870 -0.015 0.000 1.006 323 L CA -2.200 52.627 54.840 -0.023 0.000 0.832 323 L CB 1.432 43.469 42.059 -0.036 0.000 1.421 323 L HN 0.443 nan 8.230 nan 0.000 0.410 324 P HA 0.127 nan 4.420 nan 0.000 0.272 324 P C -1.243 176.058 177.300 0.002 0.000 1.254 324 P CA -0.402 62.698 63.100 -0.000 0.000 0.795 324 P CB 0.347 32.049 31.700 0.004 0.000 1.022 325 D N -1.068 119.339 120.400 0.012 0.000 2.344 325 D HA 0.266 4.906 4.640 -0.000 0.000 0.244 325 D C -0.675 175.644 176.300 0.033 0.000 1.134 325 D CA 0.113 54.126 54.000 0.021 0.000 0.930 325 D CB 0.405 41.222 40.800 0.030 0.000 1.175 325 D HN -0.130 nan 8.370 nan 0.000 0.437 326 V N 2.472 122.417 119.914 0.052 0.000 2.409 326 V HA 0.196 4.316 4.120 -0.000 0.000 0.291 326 V C 0.160 176.350 176.094 0.160 0.000 1.020 326 V CA -0.786 61.570 62.300 0.094 0.000 0.848 326 V CB 1.514 33.383 31.823 0.076 0.000 0.990 326 V HN 0.379 nan 8.190 nan 0.000 0.430 327 E N 3.274 123.550 120.200 0.127 0.000 2.349 327 E HA 0.429 4.779 4.350 -0.000 0.000 0.262 327 E C -0.123 176.519 176.600 0.070 0.000 1.088 327 E CA -0.458 55.997 56.400 0.091 0.000 0.899 327 E CB 1.422 31.140 29.700 0.031 0.000 1.044 327 E HN 0.469 nan 8.360 nan 0.000 0.420 328 L N 2.304 123.492 121.223 -0.058 0.000 2.482 328 L HA 0.095 4.435 4.340 -0.000 0.000 0.273 328 L C -1.813 174.881 176.870 -0.293 0.000 1.228 328 L CA -1.442 53.193 54.840 -0.342 0.000 0.827 328 L CB -0.355 41.561 42.059 -0.240 0.000 1.099 328 L HN 0.204 nan 8.230 nan 0.000 0.494 329 P HA 0.030 nan 4.420 nan 0.000 0.267 329 P C -0.413 176.766 177.300 -0.202 0.000 1.200 329 P CA -0.329 62.633 63.100 -0.229 0.000 0.772 329 P CB 0.358 31.925 31.700 -0.221 0.000 0.855 330 T N -0.398 114.053 114.554 -0.171 0.000 2.734 330 T HA 0.017 4.367 4.350 -0.000 0.000 0.314 330 T C 1.227 175.722 174.700 -0.341 0.000 1.057 330 T CA -0.244 61.726 62.100 -0.217 0.000 1.047 330 T CB 0.148 68.920 68.868 -0.160 0.000 0.991 330 T HN 0.218 nan 8.240 nan 0.000 0.540 331 N N 0.529 118.908 118.700 -0.535 0.000 2.104 331 N HA -0.094 4.645 4.740 -0.000 0.000 0.190 331 N C 1.682 176.913 175.510 -0.465 0.000 1.024 331 N CA 1.420 53.875 53.050 -0.990 0.000 0.853 331 N CB -0.456 37.322 38.487 -1.182 0.000 1.008 331 N HN 0.758 nan 8.380 nan 0.000 0.424 332 K N 0.768 121.008 120.400 -0.266 0.000 1.985 332 K HA -0.109 4.211 4.320 -0.000 0.000 0.210 332 K C 0.951 177.495 176.600 -0.092 0.000 1.047 332 K CA 1.471 57.681 56.287 -0.129 0.000 0.932 332 K CB -0.037 32.408 32.500 -0.093 0.000 0.716 332 K HN 0.032 nan 8.250 nan 0.000 0.439 333 D N 0.191 120.531 120.400 -0.100 0.000 2.311 333 D HA -0.122 4.518 4.640 -0.000 0.000 0.212 333 D C 1.755 178.022 176.300 -0.054 0.000 0.972 333 D CA 0.811 54.772 54.000 -0.065 0.000 0.887 333 D CB 0.208 40.969 40.800 -0.064 0.000 0.915 333 D HN 0.090 nan 8.370 nan 0.000 0.497 334 V N -0.077 119.792 119.914 -0.075 0.000 2.500 334 V HA -0.137 3.983 4.120 -0.000 0.000 0.243 334 V C 2.440 178.554 176.094 0.034 0.000 1.039 334 V CA 0.928 63.215 62.300 -0.022 0.000 1.053 334 V CB 0.075 31.893 31.823 -0.008 0.000 0.695 334 V HN 0.264 nan 8.190 nan 0.000 0.463 335 c N -0.969 117.658 118.600 0.045 0.000 2.512 335 c HA 0.123 4.693 4.570 -0.000 0.000 0.276 335 c C 0.900 175.012 174.090 0.037 0.000 1.368 335 c CA -0.768 55.606 56.329 0.076 0.000 1.755 335 c CB -0.706 41.884 42.510 0.133 0.000 2.008 335 c HN 0.458 nan 8.230 nan 0.000 0.511 336 D N 1.898 122.306 120.400 0.014 0.000 2.455 336 D HA 0.171 4.811 4.640 -0.000 0.000 0.241 336 D C -2.162 174.144 176.300 0.009 0.000 1.138 336 D CA -0.700 53.305 54.000 0.008 0.000 0.877 336 D CB 0.080 40.878 40.800 -0.004 0.000 1.187 336 D HN 0.199 nan 8.370 nan 0.000 0.451 337 P HA 0.174 nan 4.420 nan 0.000 0.266 337 P C 0.186 177.489 177.300 0.006 0.000 1.195 337 P CA 0.192 63.296 63.100 0.008 0.000 0.768 337 P CB 0.547 32.251 31.700 0.007 0.000 0.838 338 G N 2.657 111.461 108.800 0.006 0.000 2.422 338 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.290 338 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.290 338 G C 0.350 175.253 174.900 0.006 0.000 1.059 338 G CA 0.103 45.207 45.100 0.006 0.000 1.242 338 G HN 0.734 nan 8.290 nan 0.000 0.520 339 N N -0.788 117.917 118.700 0.008 0.000 2.187 339 N HA 0.013 4.753 4.740 -0.000 0.000 0.212 339 N C 1.863 177.382 175.510 0.016 0.000 1.152 339 N CA 1.097 54.152 53.050 0.009 0.000 0.872 339 N CB -0.271 38.220 38.487 0.008 0.000 1.025 339 N HN 0.653 nan 8.380 nan 0.000 0.514 340 T N -0.911 113.652 114.554 0.015 0.000 2.665 340 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 340 T C 1.753 176.467 174.700 0.024 0.000 1.035 340 T CA 1.711 63.822 62.100 0.019 0.000 1.151 340 T CB -0.286 68.590 68.868 0.013 0.000 0.862 340 T HN 0.234 nan 8.240 nan 0.000 0.438 341 K N 1.013 121.423 120.400 0.018 0.000 2.097 341 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 341 K C 2.150 178.772 176.600 0.036 0.000 1.049 341 K CA 1.365 57.662 56.287 0.018 0.000 0.933 341 K CB -0.773 31.732 32.500 0.007 0.000 0.717 341 K HN 0.347 nan 8.250 nan 0.000 0.442 342 V N 0.889 120.824 119.914 0.036 0.000 2.343 342 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 342 V C 2.330 178.476 176.094 0.088 0.000 1.051 342 V CA 1.655 63.984 62.300 0.049 0.000 1.036 342 V CB -0.466 31.369 31.823 0.021 0.000 0.654 342 V HN 0.369 nan 8.190 nan 0.000 0.451 343 M N -0.494 119.153 119.600 0.079 0.000 2.200 343 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 343 M C 1.926 178.317 176.300 0.152 0.000 1.066 343 M CA 1.367 56.740 55.300 0.121 0.000 1.127 343 M CB -1.256 31.390 32.600 0.077 0.000 1.379 343 M HN 0.333 nan 8.290 nan 0.000 0.420 344 D N 0.477 120.937 120.400 0.099 0.000 2.117 344 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 344 D C 2.001 178.377 176.300 0.126 0.000 0.982 344 D CA 1.109 55.161 54.000 0.087 0.000 0.828 344 D CB -0.175 40.649 40.800 0.039 0.000 0.967 344 D HN 0.365 nan 8.370 nan 0.000 0.464 345 K N -0.323 120.155 120.400 0.130 0.000 2.057 345 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 345 K C 2.238 178.970 176.600 0.219 0.000 1.049 345 K CA 0.809 57.201 56.287 0.175 0.000 0.931 345 K CB -0.180 32.399 32.500 0.131 0.000 0.714 345 K HN 0.084 nan 8.250 nan 0.000 0.440 346 Y N 1.551 121.903 120.300 0.086 0.000 2.181 346 Y HA -0.189 4.360 4.550 -0.000 0.000 0.288 346 Y C 2.058 177.999 175.900 0.069 0.000 1.146 346 Y CA 2.091 60.228 58.100 0.062 0.000 1.164 346 Y CB -0.622 37.859 38.460 0.035 0.000 0.982 346 Y HN 0.026 nan 8.280 nan 0.000 0.515 347 T N 0.954 115.490 114.554 -0.029 0.000 2.684 347 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 347 T C 1.561 176.227 174.700 -0.057 0.000 1.036 347 T CA 1.748 63.789 62.100 -0.099 0.000 1.148 347 T CB -0.816 68.077 68.868 0.042 0.000 0.863 347 T HN 0.455 nan 8.240 nan 0.000 0.436 348 F N 2.302 122.197 119.950 -0.092 0.000 2.102 348 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 348 F C 2.315 178.065 175.800 -0.084 0.000 1.105 348 F CA 1.206 59.167 58.000 -0.066 0.000 1.239 348 F CB -0.252 38.729 39.000 -0.032 0.000 0.991 348 F HN -0.014 nan 8.300 nan 0.000 0.474 349 E N 0.400 120.488 120.200 -0.187 0.000 2.077 349 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 349 E C 2.248 178.669 176.600 -0.297 0.000 0.989 349 E CA 1.267 57.501 56.400 -0.276 0.000 0.800 349 E CB -1.008 28.648 29.700 -0.073 0.000 0.746 349 E HN 0.456 nan 8.360 nan 0.000 0.452 350 L N 0.973 121.986 121.223 -0.350 0.000 2.056 350 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 350 L C 2.179 178.919 176.870 -0.216 0.000 1.078 350 L CA 1.624 56.274 54.840 -0.317 0.000 0.749 350 L CB -0.521 41.228 42.059 -0.517 0.000 0.901 350 L HN -0.085 nan 8.230 nan 0.000 0.433 351 S N 0.163 115.734 115.700 -0.216 0.000 2.382 351 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 351 S C 1.819 176.326 174.600 -0.154 0.000 1.027 351 S CA 1.428 59.546 58.200 -0.136 0.000 0.991 351 S CB -0.453 62.698 63.200 -0.081 0.000 0.823 351 S HN 0.623 nan 8.310 nan 0.000 0.469 352 R N 1.779 122.107 120.500 -0.286 0.000 2.323 352 R HA 0.100 4.440 4.340 -0.000 0.000 0.198 352 R C 1.533 177.727 176.300 -0.176 0.000 0.988 352 R CA 0.735 56.672 56.100 -0.272 0.000 1.041 352 R CB -0.211 29.788 30.300 -0.502 0.000 0.926 352 R HN 0.451 nan 8.270 nan 0.000 0.476 353 R N -0.738 119.677 120.500 -0.142 0.000 2.541 353 R HA 0.199 4.539 4.340 -0.000 0.000 0.332 353 R C -0.842 175.434 176.300 -0.040 0.000 0.951 353 R CA -0.324 55.723 56.100 -0.087 0.000 1.136 353 R CB 0.658 30.904 30.300 -0.091 0.000 1.449 353 R HN -0.094 nan 8.270 nan 0.000 0.531 354 T N 1.525 116.062 114.554 -0.028 0.000 2.788 354 T HA 0.143 4.493 4.350 -0.000 0.000 0.296 354 T C -1.034 173.710 174.700 0.073 0.000 1.009 354 T CA -0.404 61.706 62.100 0.017 0.000 0.949 354 T CB 1.100 69.970 68.868 0.004 0.000 0.946 354 T HN 0.214 nan 8.240 nan 0.000 0.453 355 H N 4.396 123.446 119.070 -0.034 0.000 3.291 355 H HA 0.445 5.001 4.556 -0.000 0.000 0.256 355 H C -0.942 174.355 175.328 -0.051 0.000 1.315 355 H CA -0.409 55.619 56.048 -0.034 0.000 1.521 355 H CB -0.020 29.722 29.762 -0.032 0.000 1.621 355 H HN 0.277 nan 8.280 nan 0.000 0.498 356 L N 6.944 128.147 121.223 -0.033 0.000 2.591 356 L HA 0.350 4.690 4.340 -0.000 0.000 0.257 356 L C -2.688 174.176 176.870 -0.009 0.000 0.935 356 L CA -1.746 53.006 54.840 -0.146 0.000 0.873 356 L CB 2.278 44.289 42.059 -0.080 0.000 1.397 356 L HN 0.430 nan 8.230 nan 0.000 0.414 357 P HA 0.158 nan 4.420 nan 0.000 0.269 357 P C 0.115 177.558 177.300 0.238 0.000 1.215 357 P CA -0.118 63.076 63.100 0.156 0.000 0.780 357 P CB 0.611 32.458 31.700 0.244 0.000 0.898 358 E N 2.153 122.461 120.200 0.181 0.000 2.118 358 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 358 E C 1.465 178.191 176.600 0.211 0.000 0.992 358 E CA 1.933 58.434 56.400 0.169 0.000 0.804 358 E CB -0.397 29.383 29.700 0.133 0.000 0.741 358 E HN 0.266 nan 8.360 nan 0.000 0.458 359 V N -1.224 118.825 119.914 0.225 0.000 2.469 359 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 359 V C 2.290 178.484 176.094 0.168 0.000 1.064 359 V CA 1.664 64.074 62.300 0.183 0.000 1.066 359 V CB -1.173 30.696 31.823 0.078 0.000 0.667 359 V HN 0.025 nan 8.190 nan 0.000 0.461 360 F N 0.356 120.420 119.950 0.190 0.000 2.098 360 F HA 0.120 4.647 4.527 -0.000 0.000 0.294 360 F C 2.272 178.265 175.800 0.322 0.000 1.107 360 F CA 1.765 59.958 58.000 0.322 0.000 1.234 360 F CB -0.511 38.635 39.000 0.244 0.000 1.002 360 F HN 0.028 nan 8.300 nan 0.000 0.472 361 L N -0.883 120.578 121.223 0.396 0.000 2.012 361 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 361 L C 2.475 179.399 176.870 0.090 0.000 1.073 361 L CA 1.465 56.433 54.840 0.214 0.000 0.748 361 L CB -0.894 41.246 42.059 0.135 0.000 0.891 361 L HN 0.078 nan 8.230 nan 0.000 0.431 362 S N -0.521 115.222 115.700 0.071 0.000 2.382 362 S HA -0.230 4.240 4.470 -0.000 0.000 0.228 362 S C 1.958 176.530 174.600 -0.047 0.000 1.027 362 S CA 1.439 59.618 58.200 -0.035 0.000 0.991 362 S CB -0.172 62.968 63.200 -0.101 0.000 0.823 362 S HN 0.327 nan 8.310 nan 0.000 0.469 363 K N 0.672 121.076 120.400 0.006 0.000 2.097 363 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 363 K C 1.967 178.438 176.600 -0.215 0.000 1.049 363 K CA 1.192 57.450 56.287 -0.050 0.000 0.933 363 K CB -0.186 32.330 32.500 0.026 0.000 0.717 363 K HN 0.236 nan 8.250 nan 0.000 0.442 364 V N 0.437 120.131 119.914 -0.367 0.000 2.992 364 V HA -0.054 4.066 4.120 -0.000 0.000 0.250 364 V C 1.802 177.761 176.094 -0.226 0.000 1.090 364 V CA 0.529 62.503 62.300 -0.544 0.000 1.101 364 V CB 0.026 31.212 31.823 -1.062 0.000 0.743 364 V HN 0.264 nan 8.190 nan 0.000 0.468 365 L N 1.325 122.480 121.223 -0.113 0.000 2.083 365 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 365 L C 2.500 179.359 176.870 -0.018 0.000 1.083 365 L CA 2.674 57.503 54.840 -0.019 0.000 0.752 365 L CB -0.682 41.379 42.059 0.004 0.000 0.899 365 L HN 0.718 nan 8.230 nan 0.000 0.433 366 E N -0.915 119.252 120.200 -0.055 0.000 2.072 366 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 366 E C -0.710 175.864 176.600 -0.042 0.000 0.985 366 E CA 1.026 57.398 56.400 -0.047 0.000 0.801 366 E CB -1.833 27.827 29.700 -0.067 0.000 0.750 366 E HN 0.321 nan 8.360 nan 0.000 0.452 367 P HA -0.031 nan 4.420 nan 0.000 0.217 367 P C 1.189 178.465 177.300 -0.040 0.000 1.151 367 P CA 1.526 64.594 63.100 -0.054 0.000 0.828 367 P CB -0.024 31.631 31.700 -0.075 0.000 0.788 368 T N 0.087 114.616 114.554 -0.042 0.000 2.684 368 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 368 T C 1.713 176.412 174.700 -0.003 0.000 1.036 368 T CA 1.192 63.282 62.100 -0.017 0.000 1.148 368 T CB -0.944 67.926 68.868 0.002 0.000 0.863 368 T HN 0.057 nan 8.240 nan 0.000 0.436 369 L N 0.566 121.794 121.223 0.009 0.000 2.156 369 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 369 L C 2.660 179.531 176.870 0.003 0.000 1.095 369 L CA 1.117 55.962 54.840 0.008 0.000 0.770 369 L CB -0.431 41.649 42.059 0.035 0.000 0.914 369 L HN 0.231 nan 8.230 nan 0.000 0.439 370 K N 0.041 120.438 120.400 -0.005 0.000 2.057 370 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 370 K C 2.198 178.792 176.600 -0.010 0.000 1.050 370 K CA 1.520 57.801 56.287 -0.009 0.000 0.935 370 K CB 0.107 32.597 32.500 -0.017 0.000 0.715 370 K HN 0.116 nan 8.250 nan 0.000 0.439 371 S N 1.354 117.046 115.700 -0.013 0.000 2.368 371 S HA -0.122 4.347 4.470 -0.000 0.000 0.224 371 S C 1.697 176.293 174.600 -0.007 0.000 1.029 371 S CA 0.926 59.116 58.200 -0.016 0.000 0.988 371 S CB -0.263 62.928 63.200 -0.016 0.000 0.838 371 S HN 0.270 nan 8.310 nan 0.000 0.462 372 L N 2.055 123.288 121.223 0.017 0.000 2.191 372 L HA 0.027 4.367 4.340 -0.000 0.000 0.212 372 L C 2.041 178.971 176.870 0.100 0.000 1.103 372 L CA 1.592 56.474 54.840 0.070 0.000 0.769 372 L CB -1.016 41.073 42.059 0.050 0.000 0.908 372 L HN 0.335 nan 8.230 nan 0.000 0.438 373 G N -1.900 106.927 108.800 0.045 0.000 2.777 373 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 373 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 373 G C 1.317 176.212 174.900 -0.008 0.000 1.149 373 G CA 0.157 45.284 45.100 0.044 0.000 0.785 373 G HN 0.480 nan 8.290 nan 0.000 0.536 374 E N -0.395 119.780 120.200 -0.042 0.000 2.338 374 E HA -0.070 4.280 4.350 -0.000 0.000 0.197 374 E C 2.084 178.603 176.600 -0.136 0.000 1.007 374 E CA 0.187 56.544 56.400 -0.072 0.000 0.849 374 E CB -0.093 29.568 29.700 -0.065 0.000 0.774 374 E HN 0.417 nan 8.360 nan 0.000 0.506 375 c N -0.082 118.378 118.600 -0.234 0.000 2.457 375 c HA -0.095 4.475 4.570 -0.000 0.000 0.278 375 c C 2.749 176.623 174.090 -0.361 0.000 1.309 375 c CA 0.114 56.158 56.329 -0.474 0.000 1.735 375 c CB -0.674 41.140 42.510 -1.159 0.000 1.992 375 c HN 0.606 nan 8.230 nan 0.000 0.493 376 c N 1.058 119.561 118.600 -0.161 0.000 2.401 376 c HA -0.127 4.443 4.570 -0.000 0.000 0.286 376 c C 1.843 175.913 174.090 -0.034 0.000 1.332 376 c CA 0.992 57.313 56.329 -0.013 0.000 1.795 376 c CB -1.410 41.144 42.510 0.074 0.000 1.922 376 c HN 0.617 nan 8.230 nan 0.000 0.520 377 D N 0.834 121.198 120.400 -0.060 0.000 2.349 377 D HA 0.045 4.685 4.640 -0.000 0.000 0.224 377 D C 0.874 177.142 176.300 -0.053 0.000 1.029 377 D CA 0.501 54.474 54.000 -0.045 0.000 0.879 377 D CB -0.064 40.711 40.800 -0.041 0.000 0.906 377 D HN 0.517 nan 8.370 nan 0.000 0.528 378 V N -0.768 119.098 119.914 -0.079 0.000 2.716 378 V HA 0.282 4.402 4.120 -0.000 0.000 0.304 378 V C 1.510 177.574 176.094 -0.050 0.000 1.053 378 V CA -0.739 61.518 62.300 -0.071 0.000 0.984 378 V CB 2.295 34.058 31.823 -0.101 0.000 1.021 378 V HN -0.300 nan 8.190 nan 0.000 0.467 379 E N 1.375 121.553 120.200 -0.035 0.000 2.110 379 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 379 E C 1.057 177.647 176.600 -0.016 0.000 0.988 379 E CA 1.882 58.269 56.400 -0.020 0.000 0.804 379 E CB -0.070 29.620 29.700 -0.016 0.000 0.745 379 E HN 0.891 nan 8.360 nan 0.000 0.458 380 D N -0.009 120.374 120.400 -0.028 0.000 2.772 380 D HA 0.113 4.753 4.640 -0.000 0.000 0.273 380 D C 0.408 176.685 176.300 -0.038 0.000 1.233 380 D CA -0.008 53.981 54.000 -0.019 0.000 0.984 380 D CB 0.277 41.066 40.800 -0.018 0.000 1.000 380 D HN 0.072 nan 8.370 nan 0.000 0.514 381 S N 0.403 116.088 115.700 -0.026 0.000 2.365 381 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 381 S C 1.833 176.448 174.600 0.025 0.000 1.039 381 S CA 1.868 60.027 58.200 -0.068 0.000 1.033 381 S CB 0.188 63.437 63.200 0.082 0.000 0.887 381 S HN 0.486 nan 8.310 nan 0.000 0.447 382 T N 1.178 115.836 114.554 0.174 0.000 2.665 382 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 382 T C 1.934 176.719 174.700 0.142 0.000 1.035 382 T CA 1.962 64.203 62.100 0.236 0.000 1.151 382 T CB -0.984 67.962 68.868 0.130 0.000 0.862 382 T HN 0.500 nan 8.240 nan 0.000 0.438 383 T N 0.882 115.466 114.554 0.049 0.000 2.720 383 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 383 T C 2.245 176.936 174.700 -0.014 0.000 1.037 383 T CA 1.302 63.412 62.100 0.017 0.000 1.144 383 T CB -0.801 68.064 68.868 -0.005 0.000 0.864 383 T HN 0.542 nan 8.240 nan 0.000 0.444 384 c N 0.494 119.036 118.600 -0.096 0.000 2.422 384 c HA -0.001 4.569 4.570 -0.000 0.000 0.279 384 c C 2.323 176.307 174.090 -0.178 0.000 1.305 384 c CA 0.272 56.486 56.329 -0.191 0.000 1.757 384 c CB -1.798 40.507 42.510 -0.342 0.000 1.962 384 c HN 0.591 nan 8.230 nan 0.000 0.499 385 F N 1.167 121.108 119.950 -0.015 0.000 2.293 385 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 385 F C 2.345 178.136 175.800 -0.015 0.000 1.089 385 F CA 1.100 59.089 58.000 -0.018 0.000 1.377 385 F CB -0.364 38.624 39.000 -0.020 0.000 1.051 385 F HN 0.262 nan 8.300 nan 0.000 0.511 386 N N 0.334 119.134 118.700 0.167 0.000 2.381 386 N HA -0.080 4.659 4.740 -0.000 0.000 0.182 386 N C 1.724 177.270 175.510 0.059 0.000 1.025 386 N CA 1.181 54.287 53.050 0.093 0.000 0.888 386 N CB -0.203 38.322 38.487 0.064 0.000 0.965 386 N HN 0.280 nan 8.380 nan 0.000 0.438 387 A N 0.273 123.119 122.820 0.043 0.000 2.035 387 A HA 0.111 4.431 4.320 -0.000 0.000 0.208 387 A C 2.120 179.717 177.584 0.021 0.000 1.206 387 A CA 0.403 52.453 52.037 0.021 0.000 0.773 387 A CB 0.166 19.167 19.000 0.002 0.000 0.878 387 A HN 0.070 nan 8.150 nan 0.000 0.469 388 K N -0.425 119.991 120.400 0.026 0.000 2.211 388 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 388 K C 1.956 178.592 176.600 0.059 0.000 1.052 388 K CA 0.806 57.108 56.287 0.025 0.000 0.973 388 K CB -0.227 32.267 32.500 -0.010 0.000 0.766 388 K HN 0.355 nan 8.250 nan 0.000 0.466 389 G N 1.973 110.833 108.800 0.100 0.000 2.480 389 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 389 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 389 G C -1.059 173.869 174.900 0.047 0.000 1.200 389 G CA 0.610 45.761 45.100 0.085 0.000 0.782 389 G HN 0.280 nan 8.290 nan 0.000 0.554 390 P HA -0.042 nan 4.420 nan 0.000 0.217 390 P C 2.003 179.322 177.300 0.031 0.000 1.150 390 P CA 0.421 63.540 63.100 0.032 0.000 0.832 390 P CB -0.064 31.653 31.700 0.029 0.000 0.787 391 L N -0.855 120.386 121.223 0.030 0.000 2.017 391 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 391 L C 2.153 179.041 176.870 0.030 0.000 1.073 391 L CA 1.846 56.702 54.840 0.026 0.000 0.745 391 L CB -1.327 40.743 42.059 0.019 0.000 0.894 391 L HN -0.112 nan 8.230 nan 0.000 0.432 392 L N -0.702 120.539 121.223 0.030 0.000 2.093 392 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 392 L C 2.588 179.482 176.870 0.041 0.000 1.085 392 L CA 1.306 56.163 54.840 0.030 0.000 0.755 392 L CB -0.613 41.460 42.059 0.023 0.000 0.904 392 L HN 0.322 nan 8.230 nan 0.000 0.435 393 K N 0.720 121.144 120.400 0.040 0.000 2.147 393 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 393 K C 2.007 178.641 176.600 0.057 0.000 1.049 393 K CA 1.345 57.662 56.287 0.049 0.000 0.936 393 K CB 0.156 32.679 32.500 0.039 0.000 0.722 393 K HN 0.258 nan 8.250 nan 0.000 0.446 394 K N 0.179 120.609 120.400 0.050 0.000 2.137 394 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 394 K C 1.891 178.532 176.600 0.068 0.000 1.052 394 K CA 0.972 57.291 56.287 0.053 0.000 0.961 394 K CB 0.123 32.648 32.500 0.042 0.000 0.741 394 K HN 0.209 nan 8.250 nan 0.000 0.452 395 E N 0.828 121.068 120.200 0.066 0.000 2.150 395 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 395 E C 1.865 178.539 176.600 0.123 0.000 0.985 395 E CA 0.683 57.133 56.400 0.083 0.000 0.814 395 E CB 0.060 29.793 29.700 0.055 0.000 0.752 395 E HN 0.084 nan 8.360 nan 0.000 0.466 396 L N 0.825 122.113 121.223 0.108 0.000 2.068 396 L HA -0.128 4.212 4.340 -0.000 0.000 0.204 396 L C 2.329 179.305 176.870 0.177 0.000 1.076 396 L CA 1.997 56.921 54.840 0.140 0.000 0.753 396 L CB -0.625 41.503 42.059 0.115 0.000 0.910 396 L HN 0.043 nan 8.230 nan 0.000 0.439 397 S N -1.760 114.015 115.700 0.125 0.000 2.370 397 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 397 S C 2.183 176.845 174.600 0.103 0.000 1.033 397 S CA 1.495 59.756 58.200 0.102 0.000 1.011 397 S CB -1.211 62.032 63.200 0.072 0.000 0.852 397 S HN 0.566 nan 8.310 nan 0.000 0.457 398 S N 0.921 116.688 115.700 0.112 0.000 2.348 398 S HA -0.106 4.363 4.470 -0.000 0.000 0.221 398 S C 1.538 176.211 174.600 0.122 0.000 1.033 398 S CA 1.186 59.444 58.200 0.097 0.000 1.010 398 S CB -0.830 62.428 63.200 0.096 0.000 0.891 398 S HN 0.553 nan 8.310 nan 0.000 0.442 399 F N 2.000 121.981 119.950 0.051 0.000 2.091 399 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 399 F C 1.950 177.794 175.800 0.073 0.000 1.103 399 F CA 1.858 59.904 58.000 0.077 0.000 1.228 399 F CB -0.438 38.617 39.000 0.092 0.000 0.984 399 F HN 0.241 nan 8.300 nan 0.000 0.477 400 I N 0.162 120.852 120.570 0.201 0.000 2.208 400 I HA -0.328 3.841 4.170 -0.000 0.000 0.245 400 I C 2.068 178.139 176.117 -0.077 0.000 1.097 400 I CA 1.593 62.930 61.300 0.061 0.000 1.363 400 I CB -0.628 37.438 38.000 0.110 0.000 1.051 400 I HN 0.180 nan 8.210 nan 0.000 0.413 401 D N 1.057 121.435 120.400 -0.037 0.000 2.097 401 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 401 D C 2.152 178.387 176.300 -0.108 0.000 0.989 401 D CA 1.310 55.275 54.000 -0.057 0.000 0.827 401 D CB -0.169 40.620 40.800 -0.018 0.000 0.966 401 D HN 0.354 nan 8.370 nan 0.000 0.456 402 K N 0.348 120.669 120.400 -0.131 0.000 2.148 402 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 402 K C 2.159 178.623 176.600 -0.227 0.000 1.050 402 K CA 1.030 57.225 56.287 -0.153 0.000 0.942 402 K CB -0.166 32.249 32.500 -0.141 0.000 0.724 402 K HN 0.085 nan 8.250 nan 0.000 0.446 403 G N 1.136 109.713 108.800 -0.373 0.000 2.394 403 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 403 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 403 G C 1.278 175.844 174.900 -0.558 0.000 1.165 403 G CA 0.255 44.978 45.100 -0.627 0.000 0.784 403 G HN 0.280 nan 8.290 nan 0.000 0.535 404 Q N -0.227 119.352 119.800 -0.367 0.000 2.291 404 Q HA -0.049 4.290 4.340 -0.000 0.000 0.205 404 Q C 2.249 178.143 176.000 -0.177 0.000 0.970 404 Q CA 1.072 56.706 55.803 -0.281 0.000 0.876 404 Q CB 0.019 28.649 28.738 -0.180 0.000 0.935 404 Q HN 0.682 nan 8.270 nan 0.000 0.455 405 E N 0.819 120.933 120.200 -0.142 0.000 2.086 405 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 405 E C 1.920 178.496 176.600 -0.040 0.000 0.975 405 E CA 0.208 56.565 56.400 -0.071 0.000 0.813 405 E CB 0.129 29.791 29.700 -0.064 0.000 0.768 405 E HN 0.283 nan 8.360 nan 0.000 0.457 406 L N 0.237 121.420 121.223 -0.067 0.000 2.083 406 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 406 L C 2.055 179.000 176.870 0.125 0.000 1.083 406 L CA 0.769 55.627 54.840 0.030 0.000 0.752 406 L CB -0.065 42.037 42.059 0.072 0.000 0.899 406 L HN 0.363 nan 8.230 nan 0.000 0.433 407 c N -0.254 118.337 118.600 -0.015 0.000 2.855 407 c HA 0.415 4.985 4.570 -0.000 0.000 0.279 407 c C 1.444 175.556 174.090 0.037 0.000 1.270 407 c CA -1.253 55.066 56.329 -0.017 0.000 1.702 407 c CB -1.241 41.157 42.510 -0.187 0.000 1.949 407 c HN 0.390 nan 8.230 nan 0.000 0.618 408 A N 1.545 124.402 122.820 0.061 0.000 2.584 408 A HA 0.229 4.549 4.320 -0.000 0.000 0.239 408 A C 0.856 178.582 177.584 0.236 0.000 1.043 408 A CA 0.909 53.007 52.037 0.101 0.000 0.756 408 A CB -0.017 19.029 19.000 0.078 0.000 0.963 408 A HN 0.723 nan 8.150 nan 0.000 0.511 409 D N -0.206 120.312 120.400 0.195 0.000 2.837 409 D HA -0.281 4.359 4.640 -0.000 0.000 0.195 409 D C 0.530 176.963 176.300 0.222 0.000 1.033 409 D CA 2.163 56.308 54.000 0.243 0.000 1.021 409 D CB -1.449 39.533 40.800 0.303 0.000 1.101 409 D HN 0.841 nan 8.370 nan 0.000 0.431 410 Y N 1.965 122.214 120.300 -0.086 0.000 2.133 410 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 410 Y C 2.632 178.428 175.900 -0.174 0.000 1.134 410 Y CA 2.936 60.760 58.100 -0.460 0.000 1.133 410 Y CB -0.360 37.790 38.460 -0.518 0.000 0.987 410 Y HN 0.147 nan 8.280 nan 0.000 0.502 411 S N -0.049 115.610 115.700 -0.069 0.000 2.453 411 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 411 S C 1.410 175.961 174.600 -0.082 0.000 1.005 411 S CA 1.023 59.175 58.200 -0.081 0.000 0.949 411 S CB -0.471 62.813 63.200 0.141 0.000 0.774 411 S HN 0.695 nan 8.310 nan 0.000 0.510 412 E N 1.383 121.566 120.200 -0.028 0.000 2.479 412 E HA 0.227 4.577 4.350 -0.000 0.000 0.193 412 E C -0.185 176.397 176.600 -0.030 0.000 1.049 412 E CA -0.089 56.299 56.400 -0.019 0.000 0.870 412 E CB -0.273 29.438 29.700 0.019 0.000 0.944 412 E HN 0.512 nan 8.360 nan 0.000 0.492 413 N N 1.156 119.821 118.700 -0.057 0.000 2.455 413 N HA 0.171 4.911 4.740 -0.000 0.000 0.278 413 N C -0.415 175.066 175.510 -0.049 0.000 1.291 413 N CA -0.325 52.711 53.050 -0.022 0.000 0.780 413 N CB 1.882 40.400 38.487 0.052 0.000 1.520 413 N HN 0.054 nan 8.380 nan 0.000 0.486 414 T N -1.786 112.768 114.554 -0.000 0.000 2.802 414 T HA 0.116 4.466 4.350 -0.000 0.000 0.305 414 T C 1.255 176.019 174.700 0.107 0.000 1.053 414 T CA -0.291 61.827 62.100 0.030 0.000 1.058 414 T CB 0.363 69.254 68.868 0.040 0.000 0.988 414 T HN 0.365 nan 8.240 nan 0.000 0.539 415 F N 1.845 121.797 119.950 0.005 0.000 2.134 415 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 415 F C 2.791 178.695 175.800 0.174 0.000 1.097 415 F CA 2.222 60.295 58.000 0.120 0.000 1.264 415 F CB -1.020 38.048 39.000 0.113 0.000 1.001 415 F HN 0.866 nan 8.300 nan 0.000 0.479 416 T N -2.544 112.072 114.554 0.104 0.000 2.821 416 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 416 T C 1.793 176.454 174.700 -0.065 0.000 1.046 416 T CA 1.456 63.551 62.100 -0.009 0.000 1.139 416 T CB -0.491 68.405 68.868 0.048 0.000 0.871 416 T HN 0.262 nan 8.240 nan 0.000 0.454 417 E N 0.527 120.718 120.200 -0.015 0.000 2.107 417 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 417 E C 1.828 178.408 176.600 -0.034 0.000 0.982 417 E CA 0.716 57.104 56.400 -0.021 0.000 0.809 417 E CB -0.629 29.075 29.700 0.008 0.000 0.756 417 E HN 0.720 nan 8.360 nan 0.000 0.459 418 Y N 1.313 121.533 120.300 -0.133 0.000 2.181 418 Y HA -0.136 4.414 4.550 0.000 0.000 0.288 418 Y C 1.643 177.442 175.900 -0.169 0.000 1.146 418 Y CA 1.948 59.970 58.100 -0.131 0.000 1.164 418 Y CB -0.128 38.256 38.460 -0.128 0.000 0.982 418 Y HN -0.082 nan 8.280 nan 0.000 0.515 419 K N 0.292 120.310 120.400 -0.636 0.000 2.148 419 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 419 K C 2.055 178.420 176.600 -0.391 0.000 1.050 419 K CA 1.566 57.451 56.287 -0.670 0.000 0.942 419 K CB -0.085 32.118 32.500 -0.495 0.000 0.724 419 K HN 0.368 nan 8.250 nan 0.000 0.446 420 K N 0.972 121.219 120.400 -0.254 0.000 2.025 420 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 420 K C 1.956 178.465 176.600 -0.151 0.000 1.049 420 K CA 1.203 57.395 56.287 -0.158 0.000 0.933 420 K CB 0.027 32.468 32.500 -0.098 0.000 0.714 420 K HN 0.048 nan 8.250 nan 0.000 0.438 421 K N 0.702 121.010 120.400 -0.153 0.000 2.148 421 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 421 K C 2.059 178.574 176.600 -0.143 0.000 1.050 421 K CA 0.708 56.930 56.287 -0.109 0.000 0.942 421 K CB -0.105 32.364 32.500 -0.051 0.000 0.724 421 K HN 0.016 nan 8.250 nan 0.000 0.446 422 L N 1.187 122.247 121.223 -0.271 0.000 2.027 422 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 422 L C 2.208 178.979 176.870 -0.164 0.000 1.074 422 L CA 1.770 56.453 54.840 -0.262 0.000 0.745 422 L CB -0.756 41.010 42.059 -0.488 0.000 0.898 422 L HN 0.096 nan 8.230 nan 0.000 0.433 423 A N -0.888 121.831 122.820 -0.168 0.000 1.940 423 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 423 A C 2.203 179.741 177.584 -0.077 0.000 1.176 423 A CA 1.902 53.874 52.037 -0.108 0.000 0.631 423 A CB -0.627 18.311 19.000 -0.102 0.000 0.814 423 A HN 0.626 nan 8.150 nan 0.000 0.446 424 E N -0.861 119.293 120.200 -0.077 0.000 2.152 424 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 424 E C 2.353 178.927 176.600 -0.043 0.000 0.983 424 E CA 0.656 57.025 56.400 -0.053 0.000 0.818 424 E CB -0.096 29.575 29.700 -0.047 0.000 0.758 424 E HN 0.524 nan 8.360 nan 0.000 0.467 425 R N 0.312 120.783 120.500 -0.049 0.000 2.073 425 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 425 R C 2.428 178.709 176.300 -0.031 0.000 1.120 425 R CA 0.755 56.835 56.100 -0.033 0.000 0.967 425 R CB -0.131 30.152 30.300 -0.028 0.000 0.862 425 R HN 0.169 nan 8.270 nan 0.000 0.436 426 L N 0.741 121.940 121.223 -0.040 0.000 2.141 426 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 426 L C 2.618 179.471 176.870 -0.029 0.000 1.094 426 L CA 1.141 55.962 54.840 -0.033 0.000 0.763 426 L CB -0.361 41.675 42.059 -0.038 0.000 0.908 426 L HN 0.179 nan 8.230 nan 0.000 0.437 427 K N 0.753 121.134 120.400 -0.032 0.000 2.026 427 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 427 K C 2.145 178.732 176.600 -0.021 0.000 1.048 427 K CA 1.418 57.690 56.287 -0.026 0.000 0.929 427 K CB -0.076 32.407 32.500 -0.028 0.000 0.713 427 K HN 0.239 nan 8.250 nan 0.000 0.439 428 A N 1.045 123.853 122.820 -0.021 0.000 1.972 428 A HA -0.153 4.166 4.320 -0.000 0.000 0.219 428 A C 1.947 179.522 177.584 -0.015 0.000 1.169 428 A CA 1.667 53.694 52.037 -0.016 0.000 0.635 428 A CB -0.283 18.708 19.000 -0.016 0.000 0.810 428 A HN 0.283 nan 8.150 nan 0.000 0.446 429 K N -1.192 119.198 120.400 -0.016 0.000 2.228 429 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 429 K C 0.006 176.598 176.600 -0.015 0.000 1.051 429 K CA 0.637 56.916 56.287 -0.015 0.000 0.960 429 K CB 0.030 32.520 32.500 -0.016 0.000 0.743 429 K HN 0.430 nan 8.250 nan 0.000 0.458 430 L N 0.389 121.603 121.223 -0.016 0.000 2.678 430 L HA 0.271 4.611 4.340 -0.000 0.000 0.250 430 L C -2.217 174.644 176.870 -0.014 0.000 1.455 430 L CA -1.224 53.608 54.840 -0.014 0.000 0.823 430 L CB 1.407 43.456 42.059 -0.016 0.000 1.107 430 L HN -0.136 nan 8.230 nan 0.000 0.514 431 P HA -0.162 nan 4.420 nan 0.000 0.222 431 P C 0.392 177.686 177.300 -0.010 0.000 1.142 431 P CA 1.350 64.444 63.100 -0.011 0.000 0.788 431 P CB 0.212 31.905 31.700 -0.010 0.000 0.767 432 D N -0.504 119.890 120.400 -0.010 0.000 2.162 432 D HA 0.059 4.699 4.640 -0.000 0.000 0.205 432 D C 0.961 177.256 176.300 -0.009 0.000 0.964 432 D CA 0.243 54.237 54.000 -0.009 0.000 0.847 432 D CB -0.788 40.007 40.800 -0.008 0.000 0.988 432 D HN 0.048 nan 8.370 nan 0.000 0.480 433 A N 1.277 124.091 122.820 -0.010 0.000 2.561 433 A HA 0.314 4.634 4.320 -0.000 0.000 0.234 433 A C 0.949 178.527 177.584 -0.010 0.000 1.055 433 A CA 0.111 52.142 52.037 -0.010 0.000 0.756 433 A CB -0.169 18.823 19.000 -0.012 0.000 0.986 433 A HN 0.289 nan 8.150 nan 0.000 0.505 434 T N 0.277 114.826 114.554 -0.009 0.000 2.788 434 T HA 0.395 4.745 4.350 -0.000 0.000 0.287 434 T C -1.869 172.826 174.700 -0.009 0.000 1.007 434 T CA -1.048 61.048 62.100 -0.008 0.000 1.005 434 T CB 0.496 69.361 68.868 -0.006 0.000 1.012 434 T HN 0.343 nan 8.240 nan 0.000 0.530 435 P HA -0.006 nan 4.420 nan 0.000 0.218 435 P C 1.472 178.767 177.300 -0.009 0.000 1.149 435 P CA 0.828 63.922 63.100 -0.010 0.000 0.817 435 P CB 0.077 31.772 31.700 -0.009 0.000 0.785 436 K N 0.142 120.539 120.400 -0.006 0.000 2.025 436 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 436 K C 2.141 178.739 176.600 -0.004 0.000 1.049 436 K CA 1.445 57.730 56.287 -0.003 0.000 0.933 436 K CB -0.675 31.824 32.500 -0.002 0.000 0.714 436 K HN -0.125 nan 8.250 nan 0.000 0.438 437 E N 0.481 120.678 120.200 -0.005 0.000 2.077 437 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 437 E C 1.814 178.410 176.600 -0.008 0.000 0.989 437 E CA 1.464 57.861 56.400 -0.006 0.000 0.800 437 E CB -0.322 29.374 29.700 -0.007 0.000 0.746 437 E HN 0.347 nan 8.360 nan 0.000 0.452 438 L N -0.092 121.124 121.223 -0.012 0.000 2.046 438 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 438 L C 2.560 179.420 176.870 -0.017 0.000 1.077 438 L CA 1.198 56.027 54.840 -0.017 0.000 0.747 438 L CB -0.683 41.364 42.059 -0.021 0.000 0.896 438 L HN 0.235 nan 8.230 nan 0.000 0.432 439 A N 0.110 122.922 122.820 -0.014 0.000 1.908 439 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 439 A C 2.405 179.988 177.584 -0.001 0.000 1.181 439 A CA 2.109 54.139 52.037 -0.011 0.000 0.627 439 A CB -0.501 18.496 19.000 -0.006 0.000 0.818 439 A HN 0.350 nan 8.150 nan 0.000 0.445 440 K N -0.337 120.065 120.400 0.003 0.000 2.057 440 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 440 K C 1.897 178.505 176.600 0.013 0.000 1.049 440 K CA 1.455 57.748 56.287 0.011 0.000 0.931 440 K CB -0.306 32.199 32.500 0.008 0.000 0.714 440 K HN 0.493 nan 8.250 nan 0.000 0.440 441 L N 0.509 121.734 121.223 0.003 0.000 2.056 441 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 441 L C 2.389 179.264 176.870 0.008 0.000 1.078 441 L CA 0.719 55.560 54.840 0.003 0.000 0.749 441 L CB -0.330 41.723 42.059 -0.009 0.000 0.901 441 L HN 0.040 nan 8.230 nan 0.000 0.433 442 V N 0.189 120.099 119.914 -0.008 0.000 2.343 442 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 442 V C 2.233 178.339 176.094 0.019 0.000 1.051 442 V CA 1.835 64.120 62.300 -0.025 0.000 1.036 442 V CB -0.657 31.131 31.823 -0.059 0.000 0.654 442 V HN 0.497 nan 8.190 nan 0.000 0.451 443 N N 0.185 118.908 118.700 0.038 0.000 2.142 443 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 443 N C 1.836 177.417 175.510 0.118 0.000 1.023 443 N CA 1.276 54.375 53.050 0.082 0.000 0.852 443 N CB -0.244 38.283 38.487 0.067 0.000 0.998 443 N HN 0.527 nan 8.380 nan 0.000 0.424 444 K N 0.420 120.876 120.400 0.094 0.000 2.057 444 K HA -0.049 4.270 4.320 -0.000 0.000 0.206 444 K C 2.107 178.807 176.600 0.166 0.000 1.050 444 K CA 0.717 57.071 56.287 0.112 0.000 0.935 444 K CB 0.015 32.554 32.500 0.065 0.000 0.715 444 K HN -0.050 nan 8.250 nan 0.000 0.439 445 R N 1.516 122.103 120.500 0.144 0.000 2.075 445 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 445 R C 2.143 178.647 176.300 0.340 0.000 1.126 445 R CA 2.163 58.386 56.100 0.204 0.000 0.963 445 R CB -0.579 29.796 30.300 0.124 0.000 0.858 445 R HN 0.206 nan 8.270 nan 0.000 0.435 446 S N -0.285 115.601 115.700 0.310 0.000 2.428 446 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 446 S C 1.819 176.721 174.600 0.504 0.000 1.014 446 S CA 1.211 59.710 58.200 0.499 0.000 0.957 446 S CB -0.395 63.007 63.200 0.336 0.000 0.784 446 S HN 0.477 nan 8.310 nan 0.000 0.499 447 D N 0.412 121.024 120.400 0.353 0.000 2.117 447 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 447 D C 1.745 178.185 176.300 0.232 0.000 0.982 447 D CA 1.019 55.178 54.000 0.265 0.000 0.828 447 D CB -0.164 40.760 40.800 0.207 0.000 0.967 447 D HN 0.456 nan 8.370 nan 0.000 0.464 448 F N 1.790 121.823 119.950 0.139 0.000 2.102 448 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 448 F C 2.208 178.038 175.800 0.050 0.000 1.105 448 F CA 1.838 59.906 58.000 0.113 0.000 1.239 448 F CB -0.481 38.574 39.000 0.092 0.000 0.991 448 F HN -0.023 nan 8.300 nan 0.000 0.474 449 A N 0.055 122.868 122.820 -0.011 0.000 1.933 449 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 449 A C 2.315 179.462 177.584 -0.729 0.000 1.175 449 A CA 1.984 53.769 52.037 -0.421 0.000 0.628 449 A CB -1.468 17.372 19.000 -0.268 0.000 0.814 449 A HN 0.545 nan 8.150 nan 0.000 0.444 450 S N -0.448 115.085 115.700 -0.279 0.000 2.507 450 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 450 S C 1.394 175.882 174.600 -0.187 0.000 0.988 450 S CA 1.163 59.240 58.200 -0.205 0.000 0.944 450 S CB -0.335 62.779 63.200 -0.142 0.000 0.762 450 S HN 0.593 nan 8.310 nan 0.000 0.526 451 N N 0.003 118.580 118.700 -0.204 0.000 2.463 451 N HA 0.200 4.940 4.740 -0.000 0.000 0.183 451 N C 0.524 175.933 175.510 -0.168 0.000 1.064 451 N CA 0.750 53.736 53.050 -0.106 0.000 0.879 451 N CB 0.298 38.819 38.487 0.058 0.000 1.148 451 N HN 0.425 nan 8.380 nan 0.000 0.451 452 c N -0.194 118.160 118.600 -0.410 0.000 3.243 452 c HA 0.371 4.941 4.570 -0.000 0.000 0.286 452 c C 1.329 175.286 174.090 -0.221 0.000 1.373 452 c CA -0.633 55.474 56.329 -0.371 0.000 1.749 452 c CB -0.953 41.170 42.510 -0.646 0.000 2.313 452 c HN 0.418 nan 8.230 nan 0.000 0.644 453 c N 2.073 120.482 118.600 -0.317 0.000 2.668 453 c HA 0.292 4.862 4.570 -0.000 0.000 0.301 453 c C 1.296 175.375 174.090 -0.019 0.000 1.351 453 c CA -0.207 56.017 56.329 -0.176 0.000 1.757 453 c CB -2.115 40.163 42.510 -0.387 0.000 2.179 453 c HN 0.736 nan 8.230 nan 0.000 0.586 454 S N -0.583 115.122 115.700 0.007 0.000 2.648 454 S HA 0.547 5.017 4.470 -0.000 0.000 0.305 454 S C 0.699 175.332 174.600 0.055 0.000 1.094 454 S CA -0.595 57.652 58.200 0.079 0.000 0.983 454 S CB 0.971 64.219 63.200 0.079 0.000 1.101 454 S HN 0.275 nan 8.310 nan 0.000 0.514 455 I N 0.605 121.201 120.570 0.044 0.000 2.423 455 I HA -0.135 4.034 4.170 -0.000 0.000 0.254 455 I C 0.327 176.446 176.117 0.004 0.000 1.151 455 I CA 1.139 62.455 61.300 0.027 0.000 1.421 455 I CB -0.112 37.888 38.000 -0.001 0.000 1.079 455 I HN 0.591 nan 8.210 nan 0.000 0.431 456 N N 0.857 119.546 118.700 -0.019 0.000 2.389 456 N HA 0.159 4.898 4.740 -0.000 0.000 0.260 456 N C -0.344 175.171 175.510 0.007 0.000 1.191 456 N CA -0.022 53.020 53.050 -0.013 0.000 0.885 456 N CB 0.580 39.025 38.487 -0.070 0.000 1.162 456 N HN 0.076 nan 8.380 nan 0.000 0.512 457 S N 2.562 118.265 115.700 0.005 0.000 2.568 457 S HA 0.114 4.583 4.470 -0.000 0.000 0.282 457 S C -2.122 172.453 174.600 -0.042 0.000 1.338 457 S CA -0.534 57.651 58.200 -0.024 0.000 1.045 457 S CB 0.452 63.641 63.200 -0.019 0.000 0.873 457 S HN 0.250 nan 8.310 nan 0.000 0.516 458 P HA 0.158 nan 4.420 nan 0.000 0.269 458 P C -2.331 174.926 177.300 -0.072 0.000 1.252 458 P CA -1.377 61.637 63.100 -0.143 0.000 0.780 458 P CB 0.497 32.014 31.700 -0.305 0.000 0.829 459 P HA -0.177 nan 4.420 nan 0.000 0.213 459 P C 1.774 178.993 177.300 -0.136 0.000 1.170 459 P CA 1.461 64.414 63.100 -0.245 0.000 0.902 459 P CB -0.083 31.166 31.700 -0.752 0.000 0.789 460 L N -2.774 118.374 121.223 -0.125 0.000 1.994 460 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 460 L C 2.675 179.573 176.870 0.048 0.000 1.071 460 L CA 1.722 56.538 54.840 -0.040 0.000 0.745 460 L CB -1.186 40.854 42.059 -0.031 0.000 0.892 460 L HN -0.035 nan 8.230 nan 0.000 0.431 461 Y N 0.245 120.551 120.300 0.010 0.000 2.145 461 Y HA -0.291 4.258 4.550 -0.000 0.000 0.286 461 Y C 2.672 178.606 175.900 0.056 0.000 1.145 461 Y CA 1.656 59.813 58.100 0.094 0.000 1.148 461 Y CB -0.510 38.112 38.460 0.271 0.000 0.981 461 Y HN 0.151 nan 8.280 nan 0.000 0.507 462 c N 0.288 118.926 118.600 0.063 0.000 2.432 462 c HA -0.104 4.466 4.570 -0.000 0.000 0.280 462 c C 2.420 176.453 174.090 -0.094 0.000 1.353 462 c CA 1.131 57.430 56.329 -0.051 0.000 1.766 462 c CB -1.328 41.167 42.510 -0.025 0.000 1.924 462 c HN 0.712 nan 8.230 nan 0.000 0.509 463 D N 1.635 121.996 120.400 -0.066 0.000 2.097 463 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 463 D C 2.219 178.481 176.300 -0.064 0.000 0.989 463 D CA 2.111 56.082 54.000 -0.049 0.000 0.827 463 D CB 0.056 40.846 40.800 -0.017 0.000 0.966 463 D HN 0.537 nan 8.370 nan 0.000 0.456 464 S N -0.613 115.031 115.700 -0.093 0.000 2.406 464 S HA -0.066 4.403 4.470 -0.000 0.000 0.228 464 S C 1.809 176.334 174.600 -0.126 0.000 1.020 464 S CA 0.473 58.613 58.200 -0.099 0.000 0.965 464 S CB -0.235 62.902 63.200 -0.104 0.000 0.798 464 S HN 0.184 nan 8.310 nan 0.000 0.488 465 E N 1.449 121.536 120.200 -0.189 0.000 2.152 465 E HA 0.120 4.470 4.350 -0.000 0.000 0.192 465 E C 2.004 178.621 176.600 0.028 0.000 0.983 465 E CA 0.619 56.954 56.400 -0.108 0.000 0.818 465 E CB -0.329 29.278 29.700 -0.155 0.000 0.758 465 E HN 0.607 nan 8.360 nan 0.000 0.467 466 I N 1.436 122.025 120.570 0.032 0.000 2.315 466 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 466 I C 1.817 177.906 176.117 -0.046 0.000 1.117 466 I CA 0.860 62.150 61.300 -0.016 0.000 1.404 466 I CB -0.136 37.747 38.000 -0.194 0.000 1.071 466 I HN -0.062 nan 8.210 nan 0.000 0.419 467 D N 1.290 121.673 120.400 -0.028 0.000 2.092 467 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 467 D C 2.274 178.551 176.300 -0.037 0.000 0.994 467 D CA 1.760 55.755 54.000 -0.009 0.000 0.828 467 D CB -0.199 40.594 40.800 -0.011 0.000 0.963 467 D HN 0.334 nan 8.370 nan 0.000 0.450 468 A N 1.270 124.053 122.820 -0.061 0.000 1.902 468 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 468 A C 1.997 179.513 177.584 -0.113 0.000 1.181 468 A CA 1.286 53.279 52.037 -0.073 0.000 0.623 468 A CB -0.299 18.659 19.000 -0.070 0.000 0.818 468 A HN 0.043 nan 8.150 nan 0.000 0.443 469 E N -0.055 120.031 120.200 -0.190 0.000 2.274 469 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 469 E C 1.891 178.357 176.600 -0.222 0.000 0.996 469 E CA 0.470 56.684 56.400 -0.310 0.000 0.840 469 E CB -0.288 28.965 29.700 -0.744 0.000 0.772 469 E HN 0.675 nan 8.360 nan 0.000 0.491 470 L N 0.352 121.493 121.223 -0.137 0.000 2.240 470 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 470 L C 2.076 178.914 176.870 -0.053 0.000 1.106 470 L CA 0.834 55.628 54.840 -0.078 0.000 0.793 470 L CB -0.098 41.953 42.059 -0.014 0.000 0.927 470 L HN -0.021 nan 8.230 nan 0.000 0.446 471 K N -0.007 120.364 120.400 -0.049 0.000 2.504 471 K HA -0.045 4.275 4.320 -0.000 0.000 0.195 471 K C 1.153 177.728 176.600 -0.041 0.000 1.036 471 K CA 0.597 56.864 56.287 -0.033 0.000 0.984 471 K CB -0.121 32.363 32.500 -0.027 0.000 0.788 471 K HN 0.474 nan 8.250 nan 0.000 0.488 472 N N 0.018 118.681 118.700 -0.063 0.000 2.353 472 N HA 0.108 4.847 4.740 -0.000 0.000 0.185 472 N C 0.281 175.760 175.510 -0.053 0.000 1.098 472 N CA 0.062 53.076 53.050 -0.059 0.000 0.872 472 N CB 0.504 38.944 38.487 -0.079 0.000 0.970 472 N HN 0.033 nan 8.380 nan 0.000 0.467 473 I N 0.000 120.538 120.570 -0.054 0.000 2.984 473 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 473 I CA 0.000 61.273 61.300 -0.045 0.000 1.566 473 I CB 0.000 37.965 38.000 -0.059 0.000 1.214 473 I HN 0.000 nan 8.210 nan 0.000 0.494