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 2wad_1_B DATA FIRST_RESID 52 DATA SEQUENCE TKVTTSSARG EIYDASGKPL VENTLKQVVS FTRSNKMTAT DLKEIAKKLL DATA SEQUENCE TYVSISSPNL TERQLADYYL ADPEIYKKTV EALPSXXXXX XXXXXXXESE DATA SEQUENCE LYNNAVDSVP TSQLNYTEDE KKEIYLFSQL NAVGNFATGT IATDPLNDSQ DATA SEQUENCE VAVIASISKE MPGISISTSW DRKILETSLS SIVGSVSSEK AGLPAEEAES DATA SEQUENCE YLKKGYSLND RVGTSYLEKQ YEEVLQGKRP VKEIHLDKHG DMESVENIEE DATA SEQUENCE GSKGKNIKLT IDLAFQDSVD ALLKSYFNSE LGNGGAKYSE GVYAVALNPQ DATA SEQUENCE TGAVLSMSGL KHDLKTGELT PDSLGTVTNV FVPGSVVKAA TISSGWENGV DATA SEQUENCE LSGNQTLTDQ PIVFQGSAPI YSWYKLAYGS FPITAVEALE YSSNAYVVQT DATA SEQUENCE ALGIMGQTYQ PNMFVGTSNL ESAMGKLRST FGEYGLGSAT GIDLPDESTG DATA SEQUENCE LVPKEYNFAN FITNAFGQFD NYTPMQLAQY VATIANNGVR LAPHIVEGIY DATA SEQUENCE DNNDKGGLGE LIQAIDTKEI NKVNISESDM AILHQGFYQV SHGTSPLTTG DATA SEQUENCE RAFSDGATVS ISGKTGXXXX XXXXXXXXTN TNAVAYAPTE NPQIAVAVVF DATA SEQUENCE PHNTNLTKNV GPAIARDIIN LYNQHHPMN 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 52 T HA 0.000 nan 4.350 nan 0.000 0.228 52 T C 0.000 174.642 174.700 -0.096 0.000 1.109 52 T CA 0.000 62.005 62.100 -0.159 0.000 1.349 52 T CB 0.000 68.662 68.868 -0.343 0.000 0.612 53 K N 2.593 122.957 120.400 -0.060 0.000 2.259 53 K HA 0.850 5.213 4.320 0.072 0.000 0.249 53 K C -0.956 175.635 176.600 -0.014 0.000 0.942 53 K CA -0.852 55.417 56.287 -0.031 0.000 0.816 53 K CB 1.982 34.471 32.500 -0.019 0.000 1.155 53 K HN 0.398 nan 8.250 nan 0.000 0.428 54 V N -0.340 119.571 119.914 -0.005 0.000 2.376 54 V HA 0.347 4.510 4.120 0.072 0.000 0.287 54 V C -0.046 176.055 176.094 0.012 0.000 1.015 54 V CA -0.757 61.549 62.300 0.009 0.000 0.834 54 V CB 0.886 32.717 31.823 0.013 0.000 1.001 54 V HN 0.908 nan 8.190 nan 0.000 0.428 55 T N 3.109 117.672 114.554 0.016 0.000 2.899 55 T HA 0.503 4.896 4.350 0.072 0.000 0.295 55 T C 0.019 174.736 174.700 0.028 0.000 1.033 55 T CA 0.464 62.574 62.100 0.016 0.000 1.084 55 T CB 1.040 69.916 68.868 0.013 0.000 0.979 55 T HN 1.131 nan 8.240 nan 0.000 0.532 56 T N 2.993 117.566 114.554 0.033 0.000 3.293 56 T HA 0.382 4.775 4.350 0.072 0.000 0.320 56 T C -0.570 174.172 174.700 0.070 0.000 0.995 56 T CA -0.588 61.543 62.100 0.052 0.000 1.041 56 T CB 0.661 69.560 68.868 0.051 0.000 1.058 56 T HN 0.618 nan 8.240 nan 0.000 0.453 57 S N 3.198 118.951 115.700 0.088 0.000 2.560 57 S HA 0.363 4.876 4.470 0.072 0.000 0.284 57 S C 0.652 175.342 174.600 0.149 0.000 1.327 57 S CA -0.245 58.016 58.200 0.101 0.000 1.055 57 S CB 0.615 63.884 63.200 0.114 0.000 0.868 57 S HN 0.761 nan 8.310 nan 0.000 0.506 58 S N 1.383 117.129 115.700 0.076 0.000 2.677 58 S HA 0.720 5.233 4.470 0.072 0.000 0.290 58 S C 0.305 174.735 174.600 -0.283 0.000 1.124 58 S CA -0.778 57.437 58.200 0.024 0.000 1.017 58 S CB 0.570 63.761 63.200 -0.015 0.000 1.215 58 S HN 0.903 nan 8.310 nan 0.000 0.524 59 A N 0.714 123.134 122.820 -0.666 0.000 2.371 59 A HA 0.474 4.838 4.320 0.072 0.000 0.257 59 A C 0.251 177.526 177.584 -0.516 0.000 1.089 59 A CA -0.212 51.150 52.037 -1.125 0.000 0.794 59 A CB -0.007 18.303 19.000 -1.150 0.000 1.029 59 A HN 0.663 nan 8.150 nan 0.000 0.488 60 R N 1.400 121.629 120.500 -0.452 0.000 2.441 60 R HA 0.409 4.792 4.340 0.072 0.000 0.284 60 R C 0.813 177.020 176.300 -0.155 0.000 1.070 60 R CA 0.373 56.348 56.100 -0.209 0.000 1.047 60 R CB 0.628 30.844 30.300 -0.139 0.000 1.016 60 R HN 0.910 nan 8.270 nan 0.000 0.477 61 G N 2.131 110.893 108.800 -0.064 0.000 2.699 61 G HA2 0.072 4.076 3.960 0.072 0.000 0.246 61 G HA3 0.072 4.076 3.960 0.072 0.000 0.246 61 G C -0.729 174.168 174.900 -0.005 0.000 1.219 61 G CA -0.329 44.767 45.100 -0.007 0.000 0.866 61 G HN 0.670 nan 8.290 nan 0.000 0.572 62 E N -1.238 118.985 120.200 0.038 0.000 2.339 62 E HA 0.452 4.845 4.350 0.072 0.000 0.262 62 E C -0.658 175.903 176.600 -0.065 0.000 0.934 62 E CA -0.877 55.489 56.400 -0.057 0.000 0.802 62 E CB 1.962 31.575 29.700 -0.144 0.000 1.275 62 E HN 0.158 nan 8.360 nan 0.000 0.427 63 I N 1.546 121.962 120.570 -0.258 0.000 2.441 63 I HA 0.377 4.590 4.170 0.072 0.000 0.295 63 I C -0.717 175.171 176.117 -0.382 0.000 0.994 63 I CA -0.620 60.575 61.300 -0.176 0.000 1.144 63 I CB 0.111 38.039 38.000 -0.119 0.000 1.314 63 I HN 0.524 nan 8.210 nan 0.000 0.445 64 Y N 1.842 122.100 120.300 -0.070 0.000 2.570 64 Y HA 0.351 4.943 4.550 0.071 0.000 0.345 64 Y C 0.338 176.198 175.900 -0.067 0.000 1.014 64 Y CA -0.958 57.096 58.100 -0.077 0.000 1.063 64 Y CB 1.408 39.796 38.460 -0.120 0.000 1.272 64 Y HN 0.491 nan 8.280 nan 0.000 0.477 65 D N 0.336 120.809 120.400 0.121 0.000 2.362 65 D HA 0.201 4.885 4.640 0.072 0.000 0.238 65 D C 0.989 177.324 176.300 0.058 0.000 1.212 65 D CA 0.803 54.847 54.000 0.074 0.000 0.902 65 D CB 1.210 42.057 40.800 0.077 0.000 1.180 65 D HN 0.678 nan 8.370 nan 0.000 0.445 66 A N 0.961 123.819 122.820 0.063 0.000 2.024 66 A HA -0.140 4.223 4.320 0.072 0.000 0.220 66 A C 1.795 179.403 177.584 0.040 0.000 1.164 66 A CA 2.002 54.072 52.037 0.056 0.000 0.643 66 A CB -0.576 18.478 19.000 0.090 0.000 0.806 66 A HN 0.480 nan 8.150 nan 0.000 0.451 67 S N -2.615 113.117 115.700 0.054 0.000 2.572 67 S HA 0.431 4.945 4.470 0.072 0.000 0.228 67 S C 1.235 175.845 174.600 0.017 0.000 0.963 67 S CA 0.954 59.177 58.200 0.039 0.000 0.939 67 S CB -0.070 63.171 63.200 0.067 0.000 0.804 67 S HN 1.882 nan 8.310 nan 0.000 0.480 68 G N 1.233 110.040 108.800 0.011 0.000 2.175 68 G HA2 -0.212 3.792 3.960 0.072 0.000 0.244 68 G HA3 -0.212 3.792 3.960 0.072 0.000 0.244 68 G C -0.039 174.951 174.900 0.149 0.000 0.982 68 G CA -0.157 44.944 45.100 0.001 0.000 0.641 68 G HN 0.473 nan 8.290 nan 0.000 0.527 69 K N 1.733 122.214 120.400 0.135 0.000 2.401 69 K HA 0.312 4.675 4.320 0.072 0.000 0.278 69 K C -2.226 174.463 176.600 0.147 0.000 1.018 69 K CA -1.291 55.075 56.287 0.132 0.000 0.981 69 K CB 1.042 33.583 32.500 0.069 0.000 0.933 69 K HN 0.263 nan 8.250 nan 0.000 0.477 70 P HA 0.158 nan 4.420 nan 0.000 0.278 70 P C 0.125 177.316 177.300 -0.181 0.000 1.238 70 P CA -0.161 62.798 63.100 -0.235 0.000 0.794 70 P CB 0.754 32.353 31.700 -0.170 0.000 0.955 71 L N 1.529 122.597 121.223 -0.258 0.000 2.672 71 L HA 0.184 4.568 4.340 0.072 0.000 0.236 71 L C 0.888 177.681 176.870 -0.130 0.000 1.092 71 L CA 0.087 54.840 54.840 -0.144 0.000 0.887 71 L CB 0.422 42.412 42.059 -0.115 0.000 1.168 71 L HN 0.232 nan 8.230 nan 0.000 0.502 72 V N -3.447 116.357 119.914 -0.183 0.000 3.167 72 V HA 0.687 4.851 4.120 0.072 0.000 0.310 72 V C -1.320 174.703 176.094 -0.118 0.000 1.207 72 V CA -0.787 61.439 62.300 -0.122 0.000 1.059 72 V CB 2.457 34.218 31.823 -0.103 0.000 1.079 72 V HN 0.045 nan 8.190 nan 0.000 0.446 73 E N 0.563 120.729 120.200 -0.058 0.000 2.331 73 E HA 0.500 4.893 4.350 0.072 0.000 0.275 73 E C -1.595 175.015 176.600 0.016 0.000 0.895 73 E CA -0.624 55.764 56.400 -0.020 0.000 0.753 73 E CB 1.985 31.687 29.700 0.003 0.000 1.216 73 E HN 0.802 nan 8.360 nan 0.000 0.434 74 N N 2.064 120.792 118.700 0.046 0.000 2.457 74 N HA 0.225 5.008 4.740 0.072 0.000 0.250 74 N C -1.338 174.331 175.510 0.264 0.000 0.982 74 N CA -0.230 52.895 53.050 0.125 0.000 0.941 74 N CB 1.790 40.276 38.487 -0.003 0.000 1.120 74 N HN 0.372 nan 8.380 nan 0.000 0.505 75 T N 2.498 117.211 114.554 0.266 0.000 2.770 75 T HA 0.414 4.808 4.350 0.072 0.000 0.283 75 T C -0.166 174.621 174.700 0.145 0.000 0.988 75 T CA -0.636 61.573 62.100 0.181 0.000 0.957 75 T CB 0.353 69.280 68.868 0.098 0.000 0.930 75 T HN 0.279 nan 8.240 nan 0.000 0.443 76 L N 6.042 127.285 121.223 0.034 0.000 2.367 76 L HA 0.516 4.899 4.340 0.072 0.000 0.275 76 L C 0.189 177.001 176.870 -0.095 0.000 1.129 76 L CA 0.092 54.837 54.840 -0.158 0.000 0.839 76 L CB 0.355 42.279 42.059 -0.224 0.000 1.133 76 L HN 0.719 nan 8.230 nan 0.000 0.453 77 K N 3.529 123.862 120.400 -0.111 0.000 2.443 77 K HA 0.558 4.922 4.320 0.072 0.000 0.251 77 K C -1.416 175.136 176.600 -0.080 0.000 0.972 77 K CA -1.034 55.214 56.287 -0.064 0.000 0.833 77 K CB 1.632 34.118 32.500 -0.022 0.000 1.317 77 K HN 0.376 nan 8.250 nan 0.000 0.441 78 Q N 1.137 120.905 119.800 -0.053 0.000 2.230 78 Q HA 0.517 4.901 4.340 0.072 0.000 0.248 78 Q C -0.553 175.430 176.000 -0.028 0.000 0.915 78 Q CA -1.061 54.712 55.803 -0.049 0.000 0.900 78 Q CB 2.042 30.757 28.738 -0.039 0.000 1.229 78 Q HN 0.433 nan 8.270 nan 0.000 0.439 79 V N 0.695 120.594 119.914 -0.025 0.000 3.206 79 V HA 0.335 4.498 4.120 0.072 0.000 0.305 79 V C -0.764 175.330 176.094 -0.000 0.000 1.257 79 V CA -0.906 61.390 62.300 -0.007 0.000 1.057 79 V CB 2.571 34.392 31.823 -0.003 0.000 1.075 79 V HN 0.531 nan 8.190 nan 0.000 0.443 80 V N 1.516 121.439 119.914 0.015 0.000 2.383 80 V HA 0.470 4.634 4.120 0.072 0.000 0.275 80 V C 0.084 176.203 176.094 0.041 0.000 1.036 80 V CA -0.011 62.303 62.300 0.023 0.000 0.889 80 V CB 1.423 33.262 31.823 0.026 0.000 0.985 80 V HN 0.863 nan 8.190 nan 0.000 0.459 81 S N 5.423 121.152 115.700 0.048 0.000 2.449 81 S HA 0.654 5.167 4.470 0.072 0.000 0.310 81 S C -0.828 173.853 174.600 0.135 0.000 1.096 81 S CA -0.346 57.892 58.200 0.064 0.000 1.095 81 S CB 1.048 64.260 63.200 0.020 0.000 1.007 81 S HN 0.544 nan 8.310 nan 0.000 0.474 82 F N 2.431 122.359 119.950 -0.037 0.000 2.495 82 F HA 0.572 5.142 4.527 0.072 0.000 0.327 82 F C -0.161 175.610 175.800 -0.047 0.000 1.103 82 F CA -0.437 57.534 58.000 -0.047 0.000 0.949 82 F CB 1.697 40.661 39.000 -0.061 0.000 1.142 82 F HN 0.370 nan 8.300 nan 0.000 0.457 83 T N 6.478 120.519 114.554 -0.854 0.000 2.833 83 T HA 0.361 4.755 4.350 0.072 0.000 0.297 83 T C -0.135 173.964 174.700 -1.001 0.000 1.015 83 T CA -0.541 61.161 62.100 -0.663 0.000 0.963 83 T CB 0.848 69.506 68.868 -0.349 0.000 0.955 83 T HN 0.647 nan 8.240 nan 0.000 0.449 84 R N 1.819 121.865 120.500 -0.756 0.000 2.649 84 R HA 0.596 4.980 4.340 0.072 0.000 0.270 84 R C -0.063 175.969 176.300 -0.447 0.000 1.105 84 R CA -0.291 55.461 56.100 -0.580 0.000 1.193 84 R CB 0.611 30.733 30.300 -0.297 0.000 1.120 84 R HN 0.586 nan 8.270 nan 0.000 0.561 85 S N -0.148 115.332 115.700 -0.368 0.000 2.541 85 S HA 0.136 4.649 4.470 0.072 0.000 0.280 85 S C 0.734 175.097 174.600 -0.395 0.000 1.112 85 S CA -0.939 57.016 58.200 -0.408 0.000 0.925 85 S CB 1.217 64.285 63.200 -0.220 0.000 1.067 85 S HN 0.844 nan 8.310 nan 0.000 0.479 86 N N 4.105 122.488 118.700 -0.528 0.000 2.132 86 N HA -0.218 4.566 4.740 0.072 0.000 0.191 86 N C 0.972 176.400 175.510 -0.137 0.000 1.015 86 N CA 1.376 54.254 53.050 -0.286 0.000 0.864 86 N CB -0.352 38.053 38.487 -0.137 0.000 1.006 86 N HN 0.651 nan 8.380 nan 0.000 0.430 87 K N -0.128 120.206 120.400 -0.110 0.000 2.366 87 K HA 0.143 4.506 4.320 0.072 0.000 0.198 87 K C 0.541 177.114 176.600 -0.044 0.000 1.044 87 K CA 0.069 56.325 56.287 -0.052 0.000 0.973 87 K CB -0.002 32.480 32.500 -0.030 0.000 0.767 87 K HN 0.232 nan 8.250 nan 0.000 0.475 88 M N 1.628 121.192 119.600 -0.060 0.000 2.251 88 M HA -0.014 4.510 4.480 0.072 0.000 0.346 88 M C 0.404 176.691 176.300 -0.021 0.000 1.499 88 M CA 0.386 55.670 55.300 -0.026 0.000 1.128 88 M CB 0.971 33.567 32.600 -0.007 0.000 1.809 88 M HN -0.116 nan 8.290 nan 0.000 0.464 89 T N 1.975 116.526 114.554 -0.004 0.000 2.849 89 T HA 0.422 4.815 4.350 0.072 0.000 0.284 89 T C 1.130 175.847 174.700 0.027 0.000 1.004 89 T CA 0.086 62.188 62.100 0.003 0.000 1.021 89 T CB 1.137 70.007 68.868 0.004 0.000 1.013 89 T HN 0.764 nan 8.240 nan 0.000 0.527 90 A N 1.963 124.814 122.820 0.051 0.000 1.969 90 A HA -0.001 4.362 4.320 0.072 0.000 0.218 90 A C 2.414 180.123 177.584 0.208 0.000 1.169 90 A CA 2.119 54.257 52.037 0.169 0.000 0.635 90 A CB -1.153 17.962 19.000 0.191 0.000 0.810 90 A HN 0.865 nan 8.150 nan 0.000 0.445 91 T N 0.250 114.851 114.554 0.078 0.000 2.867 91 T HA -0.106 4.287 4.350 0.072 0.000 0.268 91 T C 1.431 176.168 174.700 0.063 0.000 1.057 91 T CA 1.490 63.617 62.100 0.045 0.000 1.136 91 T CB -0.371 68.500 68.868 0.004 0.000 0.874 91 T HN 0.470 nan 8.240 nan 0.000 0.466 92 D N 1.029 121.463 120.400 0.056 0.000 2.097 92 D HA -0.041 4.642 4.640 0.072 0.000 0.195 92 D C 2.017 178.352 176.300 0.058 0.000 0.989 92 D CA 0.720 54.750 54.000 0.049 0.000 0.827 92 D CB -0.373 40.448 40.800 0.036 0.000 0.966 92 D HN 0.190 nan 8.370 nan 0.000 0.456 93 L N 1.108 122.369 121.223 0.063 0.000 2.017 93 L HA -0.134 4.249 4.340 0.072 0.000 0.208 93 L C 2.228 179.186 176.870 0.147 0.000 1.073 93 L CA 1.535 56.366 54.840 -0.014 0.000 0.745 93 L CB -0.654 41.234 42.059 -0.284 0.000 0.894 93 L HN -0.041 nan 8.230 nan 0.000 0.432 94 K N -0.474 120.155 120.400 0.382 0.000 2.001 94 K HA -0.205 4.159 4.320 0.072 0.000 0.214 94 K C 1.877 178.567 176.600 0.150 0.000 1.050 94 K CA 1.649 58.129 56.287 0.321 0.000 0.934 94 K CB -0.214 32.357 32.500 0.118 0.000 0.718 94 K HN 0.292 nan 8.250 nan 0.000 0.443 95 E N 0.421 120.677 120.200 0.094 0.000 2.333 95 E HA -0.150 4.243 4.350 0.072 0.000 0.198 95 E C 1.927 178.555 176.600 0.047 0.000 1.007 95 E CA 0.801 57.237 56.400 0.060 0.000 0.845 95 E CB -0.012 29.715 29.700 0.045 0.000 0.766 95 E HN 0.431 nan 8.360 nan 0.000 0.507 96 I N 0.432 121.019 120.570 0.029 0.000 2.494 96 I HA -0.130 4.083 4.170 0.072 0.000 0.250 96 I C 2.422 178.525 176.117 -0.023 0.000 1.112 96 I CA 0.542 61.834 61.300 -0.013 0.000 1.438 96 I CB -0.175 37.775 38.000 -0.083 0.000 1.111 96 I HN -0.018 nan 8.210 nan 0.000 0.431 97 A N 2.156 124.970 122.820 -0.011 0.000 1.865 97 A HA -0.262 4.102 4.320 0.072 0.000 0.217 97 A C 2.274 179.885 177.584 0.045 0.000 1.191 97 A CA 2.256 54.300 52.037 0.011 0.000 0.623 97 A CB -0.640 18.415 19.000 0.092 0.000 0.826 97 A HN 0.476 nan 8.150 nan 0.000 0.444 98 K N -0.922 119.515 120.400 0.062 0.000 2.097 98 K HA -0.119 4.244 4.320 0.072 0.000 0.206 98 K C 1.731 178.367 176.600 0.061 0.000 1.049 98 K CA 1.259 57.579 56.287 0.055 0.000 0.933 98 K CB -0.285 32.247 32.500 0.052 0.000 0.717 98 K HN 0.146 nan 8.250 nan 0.000 0.442 99 K N 0.972 121.415 120.400 0.072 0.000 2.152 99 K HA -0.113 4.250 4.320 0.072 0.000 0.206 99 K C 2.101 178.813 176.600 0.185 0.000 1.048 99 K CA 0.877 57.232 56.287 0.113 0.000 0.933 99 K CB -0.271 32.289 32.500 0.100 0.000 0.721 99 K HN 0.191 nan 8.250 nan 0.000 0.447 100 L N 0.679 121.978 121.223 0.126 0.000 2.095 100 L HA -0.050 4.334 4.340 0.072 0.000 0.204 100 L C 2.073 179.041 176.870 0.164 0.000 1.080 100 L CA 1.068 55.997 54.840 0.148 0.000 0.759 100 L CB -0.612 41.474 42.059 0.046 0.000 0.914 100 L HN -0.001 nan 8.230 nan 0.000 0.439 101 L N -0.254 121.024 121.223 0.093 0.000 2.263 101 L HA -0.208 4.175 4.340 0.072 0.000 0.216 101 L C 2.096 178.977 176.870 0.019 0.000 1.111 101 L CA 2.183 57.057 54.840 0.057 0.000 0.773 101 L CB -1.133 40.946 42.059 0.033 0.000 0.906 101 L HN 0.355 nan 8.230 nan 0.000 0.439 102 T N -1.544 113.006 114.554 -0.007 0.000 3.025 102 T HA -0.144 4.249 4.350 0.072 0.000 0.270 102 T C 0.767 175.241 174.700 -0.377 0.000 1.126 102 T CA 1.515 63.485 62.100 -0.216 0.000 1.105 102 T CB -0.288 68.374 68.868 -0.343 0.000 0.884 102 T HN 0.443 nan 8.240 nan 0.000 0.522 103 Y N -0.439 119.864 120.300 0.004 0.000 2.540 103 Y HA 0.388 4.981 4.550 0.072 0.000 0.257 103 Y C 0.488 176.391 175.900 0.005 0.000 1.090 103 Y CA -0.920 57.183 58.100 0.004 0.000 1.242 103 Y CB 1.015 39.478 38.460 0.005 0.000 1.325 103 Y HN 0.082 nan 8.280 nan 0.000 0.544 104 V N -3.085 116.903 119.914 0.123 0.000 3.130 104 V HA 0.744 4.908 4.120 0.072 0.000 0.310 104 V C -0.438 175.680 176.094 0.039 0.000 1.158 104 V CA -1.034 61.314 62.300 0.080 0.000 1.029 104 V CB 2.021 33.895 31.823 0.085 0.000 1.057 104 V HN -0.128 nan 8.190 nan 0.000 0.436 105 S N 3.751 119.465 115.700 0.023 0.000 2.438 105 S HA 0.677 5.190 4.470 0.072 0.000 0.316 105 S C -0.435 174.154 174.600 -0.018 0.000 1.084 105 S CA -0.406 57.792 58.200 -0.002 0.000 1.107 105 S CB 0.693 63.888 63.200 -0.008 0.000 0.981 105 S HN 0.612 nan 8.310 nan 0.000 0.466 106 I N 4.107 124.652 120.570 -0.042 0.000 2.388 106 I HA 0.188 4.401 4.170 0.072 0.000 0.281 106 I C 1.393 177.425 176.117 -0.142 0.000 1.046 106 I CA -0.164 61.068 61.300 -0.113 0.000 1.187 106 I CB 0.571 38.499 38.000 -0.120 0.000 1.351 106 I HN 0.721 nan 8.210 nan 0.000 0.472 107 S N 3.226 118.845 115.700 -0.135 0.000 2.427 107 S HA 0.074 4.588 4.470 0.072 0.000 0.224 107 S C 0.903 175.420 174.600 -0.138 0.000 1.047 107 S CA 0.062 58.196 58.200 -0.110 0.000 0.953 107 S CB 0.139 63.296 63.200 -0.073 0.000 0.824 107 S HN 0.466 nan 8.310 nan 0.000 0.502 108 S N 4.116 119.708 115.700 -0.181 0.000 2.790 108 S HA 0.465 4.979 4.470 0.072 0.000 0.202 108 S C -2.803 171.650 174.600 -0.245 0.000 1.383 108 S CA -0.988 57.114 58.200 -0.164 0.000 1.026 108 S CB 0.671 63.804 63.200 -0.111 0.000 1.253 108 S HN 0.462 nan 8.310 nan 0.000 0.489 109 P HA 0.387 nan 4.420 nan 0.000 0.288 109 P C -1.060 176.199 177.300 -0.068 0.000 1.363 109 P CA -0.548 62.412 63.100 -0.234 0.000 0.837 109 P CB 0.166 31.757 31.700 -0.182 0.000 0.981 110 N N 3.018 121.715 118.700 -0.005 0.000 2.621 110 N HA 0.350 5.133 4.740 0.072 0.000 0.237 110 N C -0.769 174.797 175.510 0.092 0.000 0.997 110 N CA -0.416 52.658 53.050 0.039 0.000 0.918 110 N CB 0.802 39.309 38.487 0.032 0.000 1.122 110 N HN 0.241 nan 8.380 nan 0.000 0.510 111 L N 1.806 123.078 121.223 0.080 0.000 2.272 111 L HA 0.424 4.807 4.340 0.072 0.000 0.289 111 L C 0.955 177.868 176.870 0.071 0.000 1.032 111 L CA -0.817 54.079 54.840 0.092 0.000 0.810 111 L CB 1.195 43.301 42.059 0.079 0.000 1.205 111 L HN 0.483 nan 8.230 nan 0.000 0.422 112 T N -1.511 113.086 114.554 0.072 0.000 2.860 112 T HA 0.098 4.492 4.350 0.072 0.000 0.299 112 T C 0.908 175.649 174.700 0.069 0.000 1.045 112 T CA -0.521 61.616 62.100 0.063 0.000 1.071 112 T CB 1.135 70.038 68.868 0.059 0.000 0.985 112 T HN 0.568 nan 8.240 nan 0.000 0.537 113 E N -0.034 120.203 120.200 0.062 0.000 2.268 113 E HA -0.004 4.389 4.350 0.072 0.000 0.195 113 E C 2.136 178.786 176.600 0.084 0.000 0.995 113 E CA 0.493 56.933 56.400 0.067 0.000 0.836 113 E CB -0.175 29.556 29.700 0.052 0.000 0.763 113 E HN 0.615 nan 8.360 nan 0.000 0.491 114 R N 0.915 121.464 120.500 0.082 0.000 2.066 114 R HA -0.080 4.304 4.340 0.072 0.000 0.232 114 R C 1.842 178.214 176.300 0.119 0.000 1.131 114 R CA 1.750 57.906 56.100 0.094 0.000 0.955 114 R CB -0.427 29.919 30.300 0.077 0.000 0.851 114 R HN 0.179 nan 8.270 nan 0.000 0.432 115 Q N -0.256 119.612 119.800 0.113 0.000 2.124 115 Q HA -0.069 4.315 4.340 0.072 0.000 0.202 115 Q C 2.123 178.221 176.000 0.163 0.000 0.977 115 Q CA 1.691 57.577 55.803 0.139 0.000 0.850 115 Q CB -0.117 28.684 28.738 0.104 0.000 0.901 115 Q HN 0.291 nan 8.270 nan 0.000 0.429 116 L N -0.288 121.020 121.223 0.143 0.000 2.093 116 L HA -0.163 4.220 4.340 0.072 0.000 0.208 116 L C 2.337 179.366 176.870 0.266 0.000 1.085 116 L CA 1.179 56.129 54.840 0.183 0.000 0.755 116 L CB -0.389 41.766 42.059 0.160 0.000 0.904 116 L HN 0.199 nan 8.230 nan 0.000 0.435 117 A N -0.851 122.099 122.820 0.218 0.000 1.970 117 A HA -0.148 4.216 4.320 0.072 0.000 0.216 117 A C 1.901 179.633 177.584 0.246 0.000 1.170 117 A CA 1.311 53.499 52.037 0.251 0.000 0.645 117 A CB -0.331 18.782 19.000 0.189 0.000 0.816 117 A HN 0.301 nan 8.150 nan 0.000 0.447 118 D N -1.262 119.264 120.400 0.210 0.000 2.097 118 D HA -0.165 4.518 4.640 0.072 0.000 0.195 118 D C 1.669 178.060 176.300 0.151 0.000 0.989 118 D CA 1.587 55.705 54.000 0.196 0.000 0.827 118 D CB -0.480 40.468 40.800 0.246 0.000 0.966 118 D HN 0.600 nan 8.370 nan 0.000 0.456 119 Y N 0.170 120.463 120.300 -0.012 0.000 2.181 119 Y HA -0.325 4.268 4.550 0.072 0.000 0.288 119 Y C 2.358 178.196 175.900 -0.102 0.000 1.146 119 Y CA 1.492 59.408 58.100 -0.307 0.000 1.164 119 Y CB -0.434 37.811 38.460 -0.358 0.000 0.982 119 Y HN -0.034 nan 8.280 nan 0.000 0.515 120 Y N 0.451 120.801 120.300 0.082 0.000 2.224 120 Y HA -0.202 4.392 4.550 0.072 0.000 0.289 120 Y C 1.798 177.688 175.900 -0.017 0.000 1.146 120 Y CA 1.766 59.915 58.100 0.081 0.000 1.182 120 Y CB -0.511 38.066 38.460 0.196 0.000 0.983 120 Y HN 0.184 nan 8.280 nan 0.000 0.524 121 L N -0.361 120.828 121.223 -0.057 0.000 2.552 121 L HA 0.019 4.402 4.340 0.072 0.000 0.227 121 L C 2.506 179.306 176.870 -0.117 0.000 1.146 121 L CA 0.579 55.370 54.840 -0.080 0.000 0.858 121 L CB -0.658 41.461 42.059 0.100 0.000 0.969 121 L HN 0.273 nan 8.230 nan 0.000 0.451 122 A N -0.748 121.957 122.820 -0.191 0.000 2.070 122 A HA -0.184 4.179 4.320 0.072 0.000 0.220 122 A C 1.073 178.555 177.584 -0.170 0.000 1.159 122 A CA 0.802 52.731 52.037 -0.181 0.000 0.656 122 A CB -0.379 18.442 19.000 -0.297 0.000 0.800 122 A HN 0.329 nan 8.150 nan 0.000 0.453 123 D N -0.040 120.233 120.400 -0.211 0.000 2.338 123 D HA 0.142 4.825 4.640 0.072 0.000 0.255 123 D C -1.392 174.858 176.300 -0.084 0.000 1.237 123 D CA -2.095 51.812 54.000 -0.154 0.000 0.883 123 D CB 1.180 41.868 40.800 -0.187 0.000 1.087 123 D HN 0.121 nan 8.370 nan 0.000 0.485 124 P HA -0.150 nan 4.420 nan 0.000 0.218 124 P C 1.165 178.486 177.300 0.035 0.000 1.149 124 P CA 0.860 63.977 63.100 0.028 0.000 0.817 124 P CB 0.422 32.132 31.700 0.017 0.000 0.785 125 E N -0.715 119.478 120.200 -0.013 0.000 2.153 125 E HA -0.144 4.250 4.350 0.072 0.000 0.194 125 E C 1.869 178.438 176.600 -0.053 0.000 0.988 125 E CA 0.833 57.217 56.400 -0.027 0.000 0.811 125 E CB -0.198 29.482 29.700 -0.032 0.000 0.746 125 E HN 0.026 nan 8.360 nan 0.000 0.466 126 I N 0.180 120.696 120.570 -0.090 0.000 2.277 126 I HA -0.197 4.016 4.170 0.072 0.000 0.243 126 I C 2.209 178.256 176.117 -0.117 0.000 1.094 126 I CA 1.030 62.232 61.300 -0.164 0.000 1.393 126 I CB -1.489 36.291 38.000 -0.365 0.000 1.078 126 I HN 0.245 nan 8.210 nan 0.000 0.417 127 Y N 2.469 122.672 120.300 -0.162 0.000 2.114 127 Y HA -0.308 4.286 4.550 0.072 0.000 0.282 127 Y C 2.736 178.602 175.900 -0.056 0.000 1.165 127 Y CA 2.352 60.394 58.100 -0.097 0.000 1.148 127 Y CB -0.345 38.076 38.460 -0.064 0.000 0.972 127 Y HN 0.084 nan 8.280 nan 0.000 0.504 128 K N 0.618 120.916 120.400 -0.169 0.000 2.001 128 K HA -0.277 4.086 4.320 0.072 0.000 0.214 128 K C 2.314 178.782 176.600 -0.220 0.000 1.050 128 K CA 2.078 58.230 56.287 -0.226 0.000 0.934 128 K CB -0.392 32.065 32.500 -0.073 0.000 0.718 128 K HN 0.279 nan 8.250 nan 0.000 0.443 129 K N 0.216 120.532 120.400 -0.140 0.000 2.360 129 K HA -0.089 4.275 4.320 0.072 0.000 0.201 129 K C 1.553 178.092 176.600 -0.102 0.000 1.046 129 K CA 1.672 57.898 56.287 -0.103 0.000 0.945 129 K CB 0.051 32.511 32.500 -0.066 0.000 0.750 129 K HN 0.471 nan 8.250 nan 0.000 0.464 130 T N -3.116 111.356 114.554 -0.136 0.000 3.065 130 T HA 0.026 4.419 4.350 0.072 0.000 0.252 130 T C 1.500 176.120 174.700 -0.133 0.000 1.099 130 T CA 0.095 62.142 62.100 -0.087 0.000 1.063 130 T CB 0.628 69.484 68.868 -0.020 0.000 0.948 130 T HN -0.027 nan 8.240 nan 0.000 0.506 131 V N 1.062 120.828 119.914 -0.248 0.000 3.590 131 V HA 0.157 4.320 4.120 0.072 0.000 0.265 131 V C 1.958 177.932 176.094 -0.199 0.000 1.239 131 V CA 0.569 62.718 62.300 -0.250 0.000 1.117 131 V CB -0.113 31.472 31.823 -0.395 0.000 0.818 131 V HN 0.405 nan 8.190 nan 0.000 0.451 132 E N 0.540 120.639 120.200 -0.167 0.000 2.371 132 E HA 0.072 4.465 4.350 0.072 0.000 0.194 132 E C 1.777 178.326 176.600 -0.086 0.000 1.012 132 E CA 0.989 57.316 56.400 -0.122 0.000 0.860 132 E CB 0.214 29.853 29.700 -0.102 0.000 0.811 132 E HN 0.612 nan 8.360 nan 0.000 0.502 133 A N 0.729 123.504 122.820 -0.075 0.000 2.348 133 A HA 0.214 4.577 4.320 0.072 0.000 0.224 133 A C 1.077 178.637 177.584 -0.040 0.000 1.227 133 A CA -0.268 51.741 52.037 -0.047 0.000 0.885 133 A CB 0.184 19.167 19.000 -0.029 0.000 0.933 133 A HN 0.034 nan 8.150 nan 0.000 0.506 134 L N 1.256 122.446 121.223 -0.054 0.000 2.474 134 L HA 0.225 4.608 4.340 0.072 0.000 0.259 134 L C -1.598 175.248 176.870 -0.039 0.000 1.232 134 L CA -1.333 53.482 54.840 -0.042 0.000 0.821 134 L CB 0.268 42.295 42.059 -0.054 0.000 1.108 134 L HN 0.248 nan 8.230 nan 0.000 0.495 135 P HA 0.258 nan 4.420 nan 0.000 0.283 135 P C -0.449 176.837 177.300 -0.023 0.000 1.271 135 P CA -0.548 62.539 63.100 -0.021 0.000 0.841 135 P CB 1.151 32.845 31.700 -0.009 0.000 1.122 150 S N -0.327 115.071 115.700 -0.503 0.000 2.492 150 S HA 0.023 4.536 4.470 0.072 0.000 0.218 150 S C 1.117 175.657 174.600 -0.100 0.000 1.016 150 S CA 0.554 58.599 58.200 -0.259 0.000 0.916 150 S CB 0.170 63.333 63.200 -0.062 0.000 0.791 150 S HN 0.417 nan 8.310 nan 0.000 0.513 151 E N 0.295 120.427 120.200 -0.113 0.000 2.400 151 E HA 0.113 4.507 4.350 0.072 0.000 0.195 151 E C 1.139 177.723 176.600 -0.027 0.000 1.012 151 E CA 0.216 56.593 56.400 -0.040 0.000 0.875 151 E CB 0.161 29.841 29.700 -0.034 0.000 0.859 151 E HN 0.212 nan 8.360 nan 0.000 0.498 152 L N 0.446 121.605 121.223 -0.108 0.000 2.418 152 L HA -0.005 4.378 4.340 0.072 0.000 0.218 152 L C 1.235 178.146 176.870 0.068 0.000 1.125 152 L CA 0.831 55.637 54.840 -0.055 0.000 0.835 152 L CB -0.173 41.822 42.059 -0.106 0.000 0.953 152 L HN 0.221 nan 8.230 nan 0.000 0.454 153 Y N -1.538 118.813 120.300 0.084 0.000 2.314 153 Y HA -0.030 4.564 4.550 0.072 0.000 0.294 153 Y C 2.481 178.480 175.900 0.166 0.000 1.119 153 Y CA 0.545 58.706 58.100 0.101 0.000 1.179 153 Y CB -0.989 37.533 38.460 0.103 0.000 1.025 153 Y HN 0.269 nan 8.280 nan 0.000 0.541 154 N N 0.480 119.385 118.700 0.342 0.000 2.188 154 N HA -0.162 4.621 4.740 0.072 0.000 0.184 154 N C 1.335 176.971 175.510 0.210 0.000 1.018 154 N CA 1.343 54.580 53.050 0.313 0.000 0.858 154 N CB -0.158 38.412 38.487 0.138 0.000 0.989 154 N HN 0.138 nan 8.380 nan 0.000 0.426 155 N N -0.347 118.442 118.700 0.147 0.000 2.270 155 N HA 0.050 4.834 4.740 0.072 0.000 0.181 155 N C 1.398 176.979 175.510 0.118 0.000 1.016 155 N CA 1.038 54.155 53.050 0.112 0.000 0.870 155 N CB -0.237 38.296 38.487 0.077 0.000 0.979 155 N HN 0.362 nan 8.380 nan 0.000 0.431 156 A N 0.265 123.168 122.820 0.139 0.000 1.855 156 A HA -0.088 4.275 4.320 0.072 0.000 0.215 156 A C 2.256 179.905 177.584 0.107 0.000 1.191 156 A CA 1.805 53.913 52.037 0.118 0.000 0.613 156 A CB -1.060 18.020 19.000 0.133 0.000 0.829 156 A HN 0.203 nan 8.150 nan 0.000 0.442 157 V N -1.693 118.298 119.914 0.128 0.000 2.759 157 V HA -0.146 4.018 4.120 0.072 0.000 0.256 157 V C 1.674 177.853 176.094 0.142 0.000 1.080 157 V CA 2.682 65.046 62.300 0.106 0.000 1.101 157 V CB -0.853 31.011 31.823 0.069 0.000 0.698 157 V HN 0.459 nan 8.190 nan 0.000 0.477 158 D N 1.000 121.496 120.400 0.159 0.000 2.178 158 D HA -0.073 4.610 4.640 0.072 0.000 0.202 158 D C 2.032 178.405 176.300 0.121 0.000 0.974 158 D CA 1.514 55.606 54.000 0.154 0.000 0.841 158 D CB -0.022 40.861 40.800 0.139 0.000 0.953 158 D HN 0.543 nan 8.370 nan 0.000 0.478 159 S N -0.966 114.793 115.700 0.098 0.000 2.575 159 S HA 0.059 4.572 4.470 0.072 0.000 0.215 159 S C 1.463 176.103 174.600 0.066 0.000 0.966 159 S CA -0.183 58.062 58.200 0.075 0.000 0.911 159 S CB 0.926 64.164 63.200 0.063 0.000 0.780 159 S HN 0.118 nan 8.310 nan 0.000 0.514 160 V N 2.265 122.224 119.914 0.075 0.000 3.590 160 V HA 0.161 4.324 4.120 0.072 0.000 0.265 160 V C -2.237 173.894 176.094 0.063 0.000 1.239 160 V CA -0.614 61.721 62.300 0.060 0.000 1.117 160 V CB -0.274 31.579 31.823 0.051 0.000 0.818 160 V HN 0.279 nan 8.190 nan 0.000 0.451 161 P HA 0.306 nan 4.420 nan 0.000 0.277 161 P C -0.640 176.663 177.300 0.004 0.000 1.240 161 P CA 0.139 63.279 63.100 0.066 0.000 0.798 161 P CB 0.632 32.413 31.700 0.135 0.000 0.979 162 T N -2.195 112.327 114.554 -0.053 0.000 2.767 162 T HA 0.236 4.630 4.350 0.072 0.000 0.288 162 T C 0.497 175.144 174.700 -0.089 0.000 0.963 162 T CA -0.592 61.473 62.100 -0.058 0.000 1.019 162 T CB 0.132 68.962 68.868 -0.063 0.000 0.923 162 T HN 0.116 nan 8.240 nan 0.000 0.468 163 S N 2.649 118.320 115.700 -0.049 0.000 3.120 163 S HA 0.039 4.552 4.470 0.072 0.000 0.259 163 S C 0.784 175.346 174.600 -0.063 0.000 1.191 163 S CA -0.116 58.057 58.200 -0.044 0.000 1.257 163 S CB -0.509 62.688 63.200 -0.005 0.000 0.964 163 S HN 0.683 nan 8.310 nan 0.000 0.473 164 Q N 0.588 120.327 119.800 -0.102 0.000 2.175 164 Q HA 0.366 4.750 4.340 0.072 0.000 0.225 164 Q C -0.179 175.718 176.000 -0.170 0.000 0.837 164 Q CA -0.069 55.670 55.803 -0.107 0.000 1.032 164 Q CB 0.249 28.935 28.738 -0.087 0.000 1.137 164 Q HN 0.504 nan 8.270 nan 0.000 0.483 165 L N 0.855 121.933 121.223 -0.241 0.000 2.499 165 L HA 0.040 4.423 4.340 0.072 0.000 0.281 165 L C 0.523 177.150 176.870 -0.405 0.000 1.234 165 L CA -0.123 54.462 54.840 -0.424 0.000 0.839 165 L CB 0.249 41.941 42.059 -0.612 0.000 1.104 165 L HN 0.161 nan 8.230 nan 0.000 0.500 166 N N 1.263 119.681 118.700 -0.469 0.000 2.527 166 N HA 0.243 5.026 4.740 0.072 0.000 0.236 166 N C -1.685 173.618 175.510 -0.344 0.000 0.999 166 N CA -0.222 52.647 53.050 -0.301 0.000 0.935 166 N CB 0.278 38.664 38.487 -0.169 0.000 1.132 166 N HN 0.228 nan 8.380 nan 0.000 0.511 167 Y N 1.493 121.777 120.300 -0.026 0.000 2.332 167 Y HA 0.254 4.848 4.550 0.072 0.000 0.326 167 Y C 0.637 176.518 175.900 -0.031 0.000 0.978 167 Y CA -1.168 56.914 58.100 -0.029 0.000 1.205 167 Y CB 0.886 39.309 38.460 -0.060 0.000 1.131 167 Y HN 0.435 nan 8.280 nan 0.000 0.462 168 T N -0.852 113.791 114.554 0.149 0.000 2.785 168 T HA -0.044 4.350 4.350 0.072 0.000 0.341 168 T C 1.038 175.766 174.700 0.047 0.000 1.093 168 T CA -0.312 61.831 62.100 0.071 0.000 1.103 168 T CB 0.919 69.820 68.868 0.054 0.000 1.011 168 T HN 0.572 nan 8.240 nan 0.000 0.549 169 E N 0.597 120.808 120.200 0.018 0.000 2.274 169 E HA -0.068 4.325 4.350 0.072 0.000 0.194 169 E C 1.714 178.302 176.600 -0.020 0.000 0.996 169 E CA 0.644 57.041 56.400 -0.004 0.000 0.840 169 E CB -0.270 29.424 29.700 -0.010 0.000 0.772 169 E HN 0.668 nan 8.360 nan 0.000 0.491 170 D N 0.909 121.302 120.400 -0.013 0.000 2.178 170 D HA -0.139 4.545 4.640 0.072 0.000 0.202 170 D C 1.811 178.090 176.300 -0.036 0.000 0.974 170 D CA 0.855 54.843 54.000 -0.019 0.000 0.841 170 D CB 0.094 40.890 40.800 -0.007 0.000 0.953 170 D HN 0.306 nan 8.370 nan 0.000 0.478 171 E N 0.306 120.481 120.200 -0.041 0.000 2.170 171 E HA -0.024 4.369 4.350 0.072 0.000 0.191 171 E C 1.553 178.004 176.600 -0.249 0.000 0.981 171 E CA 0.359 56.693 56.400 -0.109 0.000 0.830 171 E CB 0.270 29.948 29.700 -0.036 0.000 0.775 171 E HN 0.054 nan 8.360 nan 0.000 0.470 172 K N 0.366 120.666 120.400 -0.168 0.000 2.515 172 K HA -0.086 4.277 4.320 0.072 0.000 0.196 172 K C 1.695 178.225 176.600 -0.117 0.000 1.038 172 K CA 0.594 56.776 56.287 -0.176 0.000 0.967 172 K CB 0.172 32.632 32.500 -0.067 0.000 0.780 172 K HN 0.043 nan 8.250 nan 0.000 0.483 173 K N 0.675 121.021 120.400 -0.090 0.000 2.128 173 K HA -0.090 4.273 4.320 0.072 0.000 0.202 173 K C 1.917 178.524 176.600 0.013 0.000 1.050 173 K CA 0.962 57.234 56.287 -0.026 0.000 0.966 173 K CB 0.251 32.734 32.500 -0.028 0.000 0.759 173 K HN 0.294 nan 8.250 nan 0.000 0.454 174 E N 0.998 121.169 120.200 -0.049 0.000 2.208 174 E HA -0.103 4.290 4.350 0.072 0.000 0.193 174 E C 1.861 178.430 176.600 -0.051 0.000 0.988 174 E CA 0.747 57.137 56.400 -0.017 0.000 0.828 174 E CB -0.309 29.391 29.700 0.000 0.000 0.763 174 E HN 0.209 nan 8.360 nan 0.000 0.478 175 I N 0.556 120.954 120.570 -0.286 0.000 2.252 175 I HA -0.245 3.968 4.170 0.072 0.000 0.245 175 I C 2.520 178.608 176.117 -0.048 0.000 1.102 175 I CA 1.281 62.330 61.300 -0.418 0.000 1.385 175 I CB -0.379 37.123 38.000 -0.830 0.000 1.064 175 I HN 0.106 nan 8.210 nan 0.000 0.414 176 Y N 1.846 122.081 120.300 -0.108 0.000 2.070 176 Y HA -0.281 4.312 4.550 0.072 0.000 0.280 176 Y C 2.356 178.261 175.900 0.008 0.000 1.148 176 Y CA 1.746 59.825 58.100 -0.034 0.000 1.125 176 Y CB -0.437 37.996 38.460 -0.044 0.000 0.975 176 Y HN -0.021 nan 8.280 nan 0.000 0.492 177 L N -0.899 120.342 121.223 0.030 0.000 2.013 177 L HA -0.256 4.128 4.340 0.072 0.000 0.212 177 L C 2.465 179.271 176.870 -0.107 0.000 1.073 177 L CA 1.894 56.691 54.840 -0.071 0.000 0.753 177 L CB -0.850 41.236 42.059 0.045 0.000 0.890 177 L HN 0.372 nan 8.230 nan 0.000 0.432 178 F N 0.449 120.320 119.950 -0.132 0.000 2.154 178 F HA -0.296 4.274 4.527 0.072 0.000 0.301 178 F C 2.560 178.290 175.800 -0.117 0.000 1.087 178 F CA 1.848 59.793 58.000 -0.092 0.000 1.274 178 F CB -0.104 38.926 39.000 0.050 0.000 1.009 178 F HN -0.012 nan 8.300 nan 0.000 0.485 179 S N 0.193 115.922 115.700 0.048 0.000 2.368 179 S HA -0.224 4.289 4.470 0.072 0.000 0.225 179 S C 1.840 176.307 174.600 -0.221 0.000 1.030 179 S CA 1.352 59.509 58.200 -0.072 0.000 0.999 179 S CB -0.394 62.753 63.200 -0.088 0.000 0.844 179 S HN 0.519 nan 8.310 nan 0.000 0.459 180 Q N 0.773 120.386 119.800 -0.312 0.000 2.119 180 Q HA 0.059 4.442 4.340 0.072 0.000 0.201 180 Q C 2.241 178.114 176.000 -0.211 0.000 0.972 180 Q CA 0.837 56.480 55.803 -0.266 0.000 0.847 180 Q CB -0.452 28.105 28.738 -0.301 0.000 0.903 180 Q HN 0.534 nan 8.270 nan 0.000 0.433 181 L N 0.517 121.545 121.223 -0.325 0.000 2.156 181 L HA -0.098 4.285 4.340 0.072 0.000 0.208 181 L C 1.986 178.728 176.870 -0.214 0.000 1.095 181 L CA 0.685 55.299 54.840 -0.377 0.000 0.770 181 L CB -0.410 41.221 42.059 -0.714 0.000 0.914 181 L HN 0.152 nan 8.230 nan 0.000 0.439 182 N N 0.373 118.865 118.700 -0.346 0.000 2.457 182 N HA -0.033 4.750 4.740 0.072 0.000 0.180 182 N C 1.566 176.999 175.510 -0.128 0.000 1.050 182 N CA 0.983 53.862 53.050 -0.286 0.000 0.906 182 N CB 0.193 38.444 38.487 -0.393 0.000 0.968 182 N HN 0.252 nan 8.380 nan 0.000 0.445 183 A N -0.556 122.204 122.820 -0.100 0.000 2.178 183 A HA 0.180 4.544 4.320 0.072 0.000 0.211 183 A C 0.385 177.958 177.584 -0.019 0.000 1.157 183 A CA -0.010 51.997 52.037 -0.050 0.000 0.780 183 A CB 0.181 19.150 19.000 -0.052 0.000 0.828 183 A HN 0.000 nan 8.150 nan 0.000 0.476 184 V N 1.272 121.187 119.914 0.002 0.000 2.389 184 V HA 0.463 4.627 4.120 0.072 0.000 0.264 184 V C 1.161 177.248 176.094 -0.011 0.000 1.049 184 V CA -0.418 61.896 62.300 0.022 0.000 0.932 184 V CB 0.311 32.187 31.823 0.088 0.000 1.011 184 V HN 0.391 nan 8.190 nan 0.000 0.475 185 G N 3.904 112.695 108.800 -0.015 0.000 2.667 185 G HA2 0.110 4.113 3.960 0.072 0.000 0.250 185 G HA3 0.110 4.113 3.960 0.072 0.000 0.250 185 G C 0.133 174.991 174.900 -0.069 0.000 1.212 185 G CA -0.557 44.528 45.100 -0.026 0.000 0.874 185 G HN 0.687 nan 8.290 nan 0.000 0.561 186 N N -0.462 118.178 118.700 -0.100 0.000 2.353 186 N HA 0.008 4.791 4.740 0.072 0.000 0.248 186 N C 0.689 176.112 175.510 -0.145 0.000 1.240 186 N CA 0.265 53.141 53.050 -0.290 0.000 0.862 186 N CB -0.260 38.022 38.487 -0.342 0.000 1.086 186 N HN 0.516 nan 8.380 nan 0.000 0.453 187 F N -2.884 117.020 119.950 -0.077 0.000 2.945 187 F HA -0.352 4.219 4.527 0.072 0.000 0.334 187 F C 1.042 176.794 175.800 -0.079 0.000 0.683 187 F CA 0.758 58.711 58.000 -0.079 0.000 1.044 187 F CB -1.909 37.060 39.000 -0.051 0.000 1.478 187 F HN 0.494 nan 8.300 nan 0.000 0.324 188 A N 0.177 123.015 122.820 0.030 0.000 2.386 188 A HA 0.574 4.937 4.320 0.072 0.000 0.248 188 A C 0.597 178.146 177.584 -0.058 0.000 1.082 188 A CA 0.531 52.569 52.037 0.003 0.000 0.789 188 A CB 0.304 19.305 19.000 0.002 0.000 1.025 188 A HN 0.183 nan 8.150 nan 0.000 0.490 189 T N 1.386 115.920 114.554 -0.032 0.000 2.772 189 T HA 0.587 4.981 4.350 0.072 0.000 0.288 189 T C 0.272 174.967 174.700 -0.008 0.000 0.994 189 T CA 0.210 62.282 62.100 -0.048 0.000 0.951 189 T CB 1.200 70.048 68.868 -0.033 0.000 0.933 189 T HN 1.018 nan 8.240 nan 0.000 0.447 190 G N 1.548 110.355 108.800 0.012 0.000 2.448 190 G HA2 0.530 4.533 3.960 0.072 0.000 0.324 190 G HA3 0.530 4.533 3.960 0.072 0.000 0.324 190 G C -0.433 174.505 174.900 0.064 0.000 1.203 190 G CA -0.520 44.607 45.100 0.046 0.000 0.954 190 G HN 0.521 nan 8.290 nan 0.000 0.480 191 T N 3.094 117.677 114.554 0.048 0.000 2.723 191 T HA 0.228 4.622 4.350 0.072 0.000 0.297 191 T C 0.743 175.468 174.700 0.041 0.000 0.925 191 T CA -0.166 61.961 62.100 0.044 0.000 1.030 191 T CB 0.078 68.968 68.868 0.037 0.000 0.905 191 T HN 0.214 nan 8.240 nan 0.000 0.502 192 I N 3.649 124.246 120.570 0.044 0.000 2.436 192 I HA 0.293 4.507 4.170 0.072 0.000 0.289 192 I C 0.915 177.059 176.117 0.045 0.000 1.083 192 I CA -0.799 60.514 61.300 0.021 0.000 1.372 192 I CB -0.404 37.598 38.000 0.003 0.000 1.408 192 I HN 0.551 nan 8.210 nan 0.000 0.516 193 A N 5.410 128.269 122.820 0.064 0.000 2.366 193 A HA 0.582 4.945 4.320 0.072 0.000 0.272 193 A C 0.403 178.074 177.584 0.145 0.000 1.135 193 A CA -0.104 51.992 52.037 0.098 0.000 0.804 193 A CB 0.743 19.808 19.000 0.108 0.000 1.064 193 A HN 0.798 nan 8.150 nan 0.000 0.499 194 T N 0.464 115.075 114.554 0.095 0.000 2.669 194 T HA 0.457 4.851 4.350 0.072 0.000 0.283 194 T C -1.298 173.426 174.700 0.039 0.000 1.019 194 T CA -0.692 61.455 62.100 0.078 0.000 1.039 194 T CB 0.977 69.885 68.868 0.067 0.000 1.374 194 T HN 0.547 nan 8.240 nan 0.000 0.523 195 D N 2.802 123.214 120.400 0.020 0.000 2.308 195 D HA 0.381 5.064 4.640 0.072 0.000 0.251 195 D C -2.078 174.231 176.300 0.015 0.000 1.127 195 D CA -1.026 52.979 54.000 0.008 0.000 0.876 195 D CB 0.921 41.717 40.800 -0.005 0.000 1.176 195 D HN 0.324 nan 8.370 nan 0.000 0.446 196 P HA -0.086 nan 4.420 nan 0.000 0.272 196 P C -0.449 176.860 177.300 0.015 0.000 1.194 196 P CA 0.406 63.515 63.100 0.015 0.000 0.777 196 P CB 0.462 32.169 31.700 0.011 0.000 0.814 197 L N 1.318 122.549 121.223 0.014 0.000 2.366 197 L HA 0.297 4.681 4.340 0.072 0.000 0.266 197 L C 0.551 177.428 176.870 0.012 0.000 1.010 197 L CA -1.057 53.793 54.840 0.017 0.000 0.879 197 L CB 0.624 42.694 42.059 0.019 0.000 1.228 197 L HN 0.366 nan 8.230 nan 0.000 0.439 198 N N 0.251 118.958 118.700 0.013 0.000 2.294 198 N HA -0.123 4.660 4.740 0.072 0.000 0.248 198 N C 0.406 175.922 175.510 0.010 0.000 1.242 198 N CA 0.006 53.062 53.050 0.010 0.000 0.848 198 N CB 0.571 39.065 38.487 0.011 0.000 1.084 198 N HN 0.396 nan 8.380 nan 0.000 0.457 199 D N 0.324 120.727 120.400 0.006 0.000 2.411 199 D HA -0.135 4.548 4.640 0.072 0.000 0.226 199 D C 0.885 177.188 176.300 0.005 0.000 0.988 199 D CA 0.717 54.719 54.000 0.002 0.000 0.938 199 D CB -0.065 40.734 40.800 -0.001 0.000 0.883 199 D HN 0.648 nan 8.370 nan 0.000 0.525 200 S N -0.139 115.568 115.700 0.011 0.000 2.460 200 S HA -0.092 4.421 4.470 0.072 0.000 0.226 200 S C 1.750 176.366 174.600 0.027 0.000 1.057 200 S CA 0.142 58.352 58.200 0.016 0.000 0.948 200 S CB 0.146 63.356 63.200 0.017 0.000 0.822 200 S HN 0.127 nan 8.310 nan 0.000 0.512 201 Q N 0.579 120.398 119.800 0.032 0.000 2.297 201 Q HA -0.073 4.311 4.340 0.072 0.000 0.208 201 Q C 1.723 177.749 176.000 0.042 0.000 0.981 201 Q CA 1.510 57.343 55.803 0.050 0.000 0.876 201 Q CB -0.069 28.697 28.738 0.045 0.000 0.921 201 Q HN 0.490 nan 8.270 nan 0.000 0.446 202 V N 0.315 120.241 119.914 0.020 0.000 2.591 202 V HA -0.138 4.026 4.120 0.072 0.000 0.249 202 V C 2.080 178.168 176.094 -0.009 0.000 1.053 202 V CA 1.561 63.863 62.300 0.002 0.000 1.068 202 V CB -0.363 31.457 31.823 -0.004 0.000 0.689 202 V HN 0.471 nan 8.190 nan 0.000 0.462 203 A N -0.394 122.425 122.820 -0.001 0.000 2.169 203 A HA 0.028 4.391 4.320 0.072 0.000 0.212 203 A C 2.168 179.747 177.584 -0.008 0.000 1.153 203 A CA 1.121 53.154 52.037 -0.007 0.000 0.756 203 A CB -0.199 18.801 19.000 -0.000 0.000 0.813 203 A HN 0.362 nan 8.150 nan 0.000 0.471 204 V N 0.323 120.242 119.914 0.009 0.000 2.273 204 V HA -0.213 3.951 4.120 0.072 0.000 0.242 204 V C 2.329 178.359 176.094 -0.105 0.000 1.035 204 V CA 1.766 64.076 62.300 0.016 0.000 1.013 204 V CB -0.993 30.912 31.823 0.136 0.000 0.652 204 V HN 0.549 nan 8.190 nan 0.000 0.452 205 I N 1.307 121.788 120.570 -0.148 0.000 2.194 205 I HA -0.303 3.911 4.170 0.072 0.000 0.246 205 I C 2.796 178.809 176.117 -0.174 0.000 1.093 205 I CA 1.766 62.912 61.300 -0.257 0.000 1.355 205 I CB -0.780 37.127 38.000 -0.154 0.000 1.046 205 I HN 0.308 nan 8.210 nan 0.000 0.413 206 A N 1.174 123.935 122.820 -0.098 0.000 1.883 206 A HA -0.262 4.101 4.320 0.072 0.000 0.217 206 A C 2.521 180.062 177.584 -0.072 0.000 1.186 206 A CA 2.595 54.589 52.037 -0.071 0.000 0.624 206 A CB -0.996 17.977 19.000 -0.046 0.000 0.822 206 A HN 0.564 nan 8.150 nan 0.000 0.444 207 S N 0.088 115.748 115.700 -0.068 0.000 2.423 207 S HA -0.075 4.439 4.470 0.072 0.000 0.231 207 S C 1.251 175.815 174.600 -0.059 0.000 1.014 207 S CA 1.358 59.529 58.200 -0.048 0.000 0.965 207 S CB -0.546 62.640 63.200 -0.024 0.000 0.785 207 S HN 0.991 nan 8.310 nan 0.000 0.495 208 I N -0.009 120.493 120.570 -0.114 0.000 4.050 208 I HA 0.410 4.623 4.170 0.072 0.000 0.327 208 I C 1.443 177.479 176.117 -0.135 0.000 1.473 208 I CA -0.142 61.090 61.300 -0.113 0.000 1.124 208 I CB -0.169 37.757 38.000 -0.123 0.000 1.129 208 I HN 0.165 nan 8.210 nan 0.000 0.428 209 S N 1.050 116.672 115.700 -0.129 0.000 2.442 209 S HA -0.132 4.381 4.470 0.072 0.000 0.236 209 S C 1.680 176.251 174.600 -0.049 0.000 1.007 209 S CA 0.816 58.958 58.200 -0.097 0.000 0.965 209 S CB -0.679 62.474 63.200 -0.078 0.000 0.773 209 S HN 0.590 nan 8.310 nan 0.000 0.504 210 K N 1.451 121.826 120.400 -0.040 0.000 2.218 210 K HA -0.144 4.219 4.320 0.072 0.000 0.205 210 K C 1.688 178.282 176.600 -0.011 0.000 1.046 210 K CA 1.641 57.915 56.287 -0.021 0.000 0.933 210 K CB -0.252 32.237 32.500 -0.018 0.000 0.728 210 K HN 0.644 nan 8.250 nan 0.000 0.454 211 E N -0.153 120.038 120.200 -0.014 0.000 2.489 211 E HA 0.045 4.439 4.350 0.072 0.000 0.193 211 E C 0.540 177.149 176.600 0.015 0.000 1.057 211 E CA 0.293 56.696 56.400 0.005 0.000 0.866 211 E CB 0.226 29.935 29.700 0.014 0.000 0.916 211 E HN 0.244 nan 8.360 nan 0.000 0.500 212 M N 1.033 120.640 119.600 0.012 0.000 3.200 212 M HA 0.237 4.760 4.480 0.072 0.000 0.335 212 M C -2.616 173.724 176.300 0.066 0.000 1.446 212 M CA -1.824 53.498 55.300 0.037 0.000 0.691 212 M CB 1.281 33.895 32.600 0.023 0.000 1.409 212 M HN -0.291 nan 8.290 nan 0.000 0.488 213 P HA -0.019 nan 4.420 nan 0.000 0.257 213 P C 0.905 178.251 177.300 0.076 0.000 1.162 213 P CA 1.558 64.680 63.100 0.037 0.000 0.762 213 P CB 0.449 32.159 31.700 0.016 0.000 0.753 214 G N 3.048 111.870 108.800 0.038 0.000 2.481 214 G HA2 -0.148 3.855 3.960 0.072 0.000 0.200 214 G HA3 -0.148 3.855 3.960 0.072 0.000 0.200 214 G C -0.017 174.953 174.900 0.116 0.000 1.012 214 G CA -0.512 44.578 45.100 -0.017 0.000 0.676 214 G HN 0.454 nan 8.290 nan 0.000 0.488 215 I N 2.336 123.028 120.570 0.204 0.000 2.428 215 I HA 0.656 4.869 4.170 0.072 0.000 0.296 215 I C 0.580 176.728 176.117 0.050 0.000 0.985 215 I CA 0.171 61.573 61.300 0.170 0.000 1.260 215 I CB 1.309 39.380 38.000 0.117 0.000 1.389 215 I HN 0.679 nan 8.210 nan 0.000 0.484 216 S N 6.023 121.742 115.700 0.033 0.000 2.595 216 S HA 0.534 5.047 4.470 0.072 0.000 0.270 216 S C -1.201 173.394 174.600 -0.008 0.000 1.145 216 S CA -0.966 57.230 58.200 -0.006 0.000 0.825 216 S CB 1.583 64.775 63.200 -0.014 0.000 1.107 216 S HN 0.285 nan 8.310 nan 0.000 0.461 217 I N 3.114 123.670 120.570 -0.024 0.000 2.365 217 I HA 0.570 4.784 4.170 0.072 0.000 0.291 217 I C 0.827 176.925 176.117 -0.032 0.000 1.004 217 I CA 0.042 61.326 61.300 -0.026 0.000 1.311 217 I CB 0.935 38.916 38.000 -0.032 0.000 1.401 217 I HN 0.998 nan 8.210 nan 0.000 0.491 218 S N 4.056 119.735 115.700 -0.035 0.000 2.740 218 S HA 0.775 5.288 4.470 0.072 0.000 0.300 218 S C -0.371 174.183 174.600 -0.076 0.000 1.147 218 S CA -0.578 57.590 58.200 -0.054 0.000 0.871 218 S CB 2.214 65.385 63.200 -0.047 0.000 1.173 218 S HN 0.656 nan 8.310 nan 0.000 0.510 219 T N -0.548 113.935 114.554 -0.119 0.000 2.812 219 T HA 0.770 5.163 4.350 0.072 0.000 0.282 219 T C -0.177 174.364 174.700 -0.265 0.000 0.990 219 T CA -0.309 61.686 62.100 -0.176 0.000 0.960 219 T CB 0.934 69.682 68.868 -0.200 0.000 0.948 219 T HN 1.317 nan 8.240 nan 0.000 0.438 220 S N 2.584 118.139 115.700 -0.243 0.000 2.704 220 S HA 0.737 5.251 4.470 0.072 0.000 0.296 220 S C -1.048 173.411 174.600 -0.235 0.000 1.138 220 S CA -1.140 56.915 58.200 -0.242 0.000 0.875 220 S CB 1.224 64.400 63.200 -0.042 0.000 1.151 220 S HN 0.781 nan 8.310 nan 0.000 0.500 221 W N 1.420 122.730 121.300 0.016 0.000 2.365 221 W HA 0.417 5.122 4.660 0.074 0.000 0.316 221 W C -0.438 176.089 176.519 0.014 0.000 1.164 221 W CA -0.126 57.228 57.345 0.016 0.000 1.204 221 W CB 1.228 30.699 29.460 0.018 0.000 1.213 221 W HN 0.668 nan 8.180 nan 0.000 0.539 222 D N 1.809 122.346 120.400 0.229 0.000 2.168 222 D HA 0.193 4.877 4.640 0.072 0.000 0.246 222 D C -0.384 176.007 176.300 0.152 0.000 1.050 222 D CA -0.608 53.481 54.000 0.148 0.000 0.857 222 D CB 1.440 42.294 40.800 0.090 0.000 1.169 222 D HN 0.048 nan 8.370 nan 0.000 0.453 223 R N 2.000 122.560 120.500 0.101 0.000 2.215 223 R HA 0.267 4.650 4.340 0.072 0.000 0.336 223 R C -0.709 175.616 176.300 0.043 0.000 0.996 223 R CA -0.680 55.458 56.100 0.064 0.000 0.847 223 R CB 0.262 30.587 30.300 0.042 0.000 1.127 223 R HN 0.285 nan 8.270 nan 0.000 0.465 224 K N 4.223 124.644 120.400 0.035 0.000 2.221 224 K HA 0.434 4.797 4.320 0.072 0.000 0.258 224 K C -1.012 175.590 176.600 0.003 0.000 0.944 224 K CA -0.646 55.654 56.287 0.022 0.000 0.823 224 K CB 1.287 33.802 32.500 0.025 0.000 1.113 224 K HN 0.471 nan 8.250 nan 0.000 0.431 225 I N 4.941 125.513 120.570 0.002 0.000 2.312 225 I HA 0.175 4.388 4.170 0.072 0.000 0.291 225 I C -0.167 175.943 176.117 -0.011 0.000 1.031 225 I CA -0.749 60.545 61.300 -0.009 0.000 1.293 225 I CB 0.829 38.829 38.000 -0.000 0.000 1.403 225 I HN 0.469 nan 8.210 nan 0.000 0.484 226 L N 5.983 127.192 121.223 -0.022 0.000 2.461 226 L HA 0.174 4.557 4.340 0.072 0.000 0.272 226 L C 0.563 177.422 176.870 -0.018 0.000 1.197 226 L CA -0.421 54.408 54.840 -0.019 0.000 0.836 226 L CB -0.058 41.985 42.059 -0.028 0.000 1.105 226 L HN 0.553 nan 8.230 nan 0.000 0.477 227 E N 2.269 122.461 120.200 -0.013 0.000 2.238 227 E HA 0.127 4.520 4.350 0.072 0.000 0.264 227 E C -0.050 176.540 176.600 -0.017 0.000 1.136 227 E CA -0.004 56.387 56.400 -0.015 0.000 0.929 227 E CB 0.301 29.994 29.700 -0.012 0.000 1.010 227 E HN 0.672 nan 8.360 nan 0.000 0.440 228 T N -1.473 113.068 114.554 -0.022 0.000 2.841 228 T HA 0.186 4.580 4.350 0.072 0.000 0.296 228 T C 0.887 175.570 174.700 -0.029 0.000 1.166 228 T CA -0.598 61.488 62.100 -0.023 0.000 1.007 228 T CB 1.370 70.225 68.868 -0.021 0.000 1.253 228 T HN 0.204 nan 8.240 nan 0.000 0.511 229 S N 0.227 115.908 115.700 -0.031 0.000 2.595 229 S HA 0.086 4.600 4.470 0.072 0.000 0.235 229 S C 1.335 175.910 174.600 -0.042 0.000 0.974 229 S CA 0.186 58.361 58.200 -0.042 0.000 0.942 229 S CB -0.739 62.430 63.200 -0.050 0.000 0.766 229 S HN 0.626 nan 8.310 nan 0.000 0.536 230 L N 1.717 122.920 121.223 -0.033 0.000 2.693 230 L HA 0.205 4.588 4.340 0.072 0.000 0.235 230 L C 2.398 179.245 176.870 -0.038 0.000 1.127 230 L CA 0.457 55.277 54.840 -0.033 0.000 0.914 230 L CB -0.177 41.870 42.059 -0.020 0.000 1.193 230 L HN 0.468 nan 8.230 nan 0.000 0.502 231 S N -0.226 115.452 115.700 -0.037 0.000 2.368 231 S HA -0.185 4.328 4.470 0.072 0.000 0.225 231 S C 2.149 176.729 174.600 -0.034 0.000 1.030 231 S CA 1.444 59.626 58.200 -0.030 0.000 0.999 231 S CB -0.388 62.797 63.200 -0.024 0.000 0.844 231 S HN 0.509 nan 8.310 nan 0.000 0.459 232 S N 1.738 117.402 115.700 -0.060 0.000 2.428 232 S HA 0.105 4.618 4.470 0.072 0.000 0.230 232 S C 1.768 176.250 174.600 -0.198 0.000 1.014 232 S CA 0.612 58.751 58.200 -0.102 0.000 0.957 232 S CB -0.592 62.539 63.200 -0.115 0.000 0.784 232 S HN 0.418 nan 8.310 nan 0.000 0.499 233 I N 1.755 122.233 120.570 -0.153 0.000 2.546 233 I HA 0.002 4.215 4.170 0.072 0.000 0.255 233 I C 2.362 178.470 176.117 -0.016 0.000 1.163 233 I CA 0.285 61.501 61.300 -0.141 0.000 1.457 233 I CB -1.301 36.659 38.000 -0.066 0.000 1.092 233 I HN 0.204 nan 8.210 nan 0.000 0.434 234 V N 0.756 120.673 119.914 0.006 0.000 2.295 234 V HA 0.030 4.193 4.120 0.072 0.000 0.246 234 V C 1.363 177.532 176.094 0.125 0.000 1.049 234 V CA 1.418 63.748 62.300 0.049 0.000 1.024 234 V CB -1.103 30.728 31.823 0.013 0.000 0.648 234 V HN 0.655 nan 8.190 nan 0.000 0.447 235 G N -0.059 108.836 108.800 0.159 0.000 2.710 235 G HA2 -0.082 3.922 3.960 0.072 0.000 0.668 235 G HA3 -0.082 3.922 3.960 0.072 0.000 0.668 235 G C -0.191 174.792 174.900 0.139 0.000 1.320 235 G CA -0.252 45.004 45.100 0.259 0.000 0.860 235 G HN 1.076 nan 8.290 nan 0.000 0.538 236 S N -1.915 113.854 115.700 0.115 0.000 2.739 236 S HA 0.879 5.393 4.470 0.072 0.000 0.306 236 S C -0.414 174.209 174.600 0.039 0.000 1.115 236 S CA -0.232 58.006 58.200 0.064 0.000 0.985 236 S CB 2.330 65.563 63.200 0.055 0.000 1.133 236 S HN 1.776 nan 8.310 nan 0.000 0.541 237 V N 1.794 121.722 119.914 0.024 0.000 2.709 237 V HA 0.551 4.714 4.120 0.072 0.000 0.308 237 V C 0.191 176.284 176.094 -0.002 0.000 1.062 237 V CA -0.798 61.507 62.300 0.008 0.000 0.901 237 V CB 1.929 33.760 31.823 0.012 0.000 1.003 237 V HN 1.163 nan 8.190 nan 0.000 0.425 238 S N 3.278 118.961 115.700 -0.028 0.000 2.552 238 S HA 0.171 4.684 4.470 0.072 0.000 0.289 238 S C 0.492 175.087 174.600 -0.008 0.000 1.304 238 S CA -0.012 58.169 58.200 -0.032 0.000 1.063 238 S CB 0.479 63.631 63.200 -0.079 0.000 0.848 238 S HN 1.267 nan 8.310 nan 0.000 0.499 239 S N 1.722 117.424 115.700 0.004 0.000 2.589 239 S HA 0.117 4.630 4.470 0.072 0.000 0.265 239 S C 0.916 175.529 174.600 0.021 0.000 1.342 239 S CA -0.089 58.123 58.200 0.020 0.000 1.005 239 S CB 0.569 63.783 63.200 0.024 0.000 0.909 239 S HN 0.953 nan 8.310 nan 0.000 0.555 240 E N 0.407 120.629 120.200 0.036 0.000 2.216 240 E HA -0.128 4.266 4.350 0.072 0.000 0.192 240 E C 1.746 178.366 176.600 0.034 0.000 0.988 240 E CA 0.814 57.238 56.400 0.041 0.000 0.834 240 E CB -0.113 29.620 29.700 0.056 0.000 0.772 240 E HN 0.676 nan 8.360 nan 0.000 0.479 241 K N 1.214 121.635 120.400 0.035 0.000 2.002 241 K HA -0.070 4.293 4.320 0.072 0.000 0.209 241 K C 1.892 178.509 176.600 0.028 0.000 1.048 241 K CA 1.831 58.141 56.287 0.037 0.000 0.930 241 K CB -0.632 31.896 32.500 0.046 0.000 0.714 241 K HN 0.130 nan 8.250 nan 0.000 0.438 242 A N 0.056 122.888 122.820 0.020 0.000 1.930 242 A HA 0.201 4.565 4.320 0.072 0.000 0.217 242 A C 1.553 179.134 177.584 -0.005 0.000 1.175 242 A CA 1.612 53.654 52.037 0.009 0.000 0.627 242 A CB -1.358 17.644 19.000 0.003 0.000 0.815 242 A HN 0.725 nan 8.150 nan 0.000 0.443 243 G N -1.403 107.390 108.800 -0.011 0.000 2.552 243 G HA2 -0.161 3.842 3.960 0.072 0.000 0.265 243 G HA3 -0.161 3.842 3.960 0.072 0.000 0.265 243 G C -0.292 174.557 174.900 -0.085 0.000 1.234 243 G CA -0.048 45.034 45.100 -0.031 0.000 0.944 243 G HN 0.786 nan 8.290 nan 0.000 0.568 244 L N 3.812 124.967 121.223 -0.113 0.000 2.530 244 L HA 0.328 4.711 4.340 0.072 0.000 0.273 244 L C -1.188 175.608 176.870 -0.123 0.000 1.141 244 L CA -0.654 54.058 54.840 -0.215 0.000 0.905 244 L CB 0.107 42.047 42.059 -0.198 0.000 1.202 244 L HN 0.412 nan 8.230 nan 0.000 0.473 245 P HA -0.099 nan 4.420 nan 0.000 0.257 245 P C 0.478 177.789 177.300 0.018 0.000 1.162 245 P CA 0.229 63.309 63.100 -0.034 0.000 0.762 245 P CB 0.606 32.297 31.700 -0.016 0.000 0.753 246 A N 4.893 127.725 122.820 0.020 0.000 1.948 246 A HA -0.243 4.120 4.320 0.072 0.000 0.220 246 A C 1.805 179.417 177.584 0.046 0.000 1.177 246 A CA 1.894 53.951 52.037 0.033 0.000 0.636 246 A CB -0.888 18.127 19.000 0.025 0.000 0.815 246 A HN 0.590 nan 8.150 nan 0.000 0.449 247 E N 0.154 120.380 120.200 0.043 0.000 2.409 247 E HA -0.107 4.287 4.350 0.072 0.000 0.198 247 E C 1.307 177.939 176.600 0.053 0.000 1.024 247 E CA 1.151 57.574 56.400 0.039 0.000 0.861 247 E CB -0.017 29.699 29.700 0.027 0.000 0.788 247 E HN 0.586 nan 8.360 nan 0.000 0.521 248 E N -0.168 120.095 120.200 0.106 0.000 2.511 248 E HA 0.241 4.634 4.350 0.072 0.000 0.209 248 E C 1.788 178.514 176.600 0.210 0.000 0.986 248 E CA 0.530 57.022 56.400 0.153 0.000 0.974 248 E CB 0.345 30.276 29.700 0.386 0.000 1.030 248 E HN 0.257 nan 8.360 nan 0.000 0.490 249 A N 1.717 124.639 122.820 0.170 0.000 1.940 249 A HA -0.317 4.047 4.320 0.072 0.000 0.221 249 A C 2.109 179.770 177.584 0.129 0.000 1.190 249 A CA 2.137 54.264 52.037 0.151 0.000 0.647 249 A CB -0.500 18.549 19.000 0.082 0.000 0.821 249 A HN 0.279 nan 8.150 nan 0.000 0.457 250 E N -0.194 120.050 120.200 0.072 0.000 2.023 250 E HA -0.191 4.203 4.350 0.072 0.000 0.196 250 E C 2.407 179.018 176.600 0.019 0.000 1.003 250 E CA 1.755 58.180 56.400 0.041 0.000 0.809 250 E CB -0.123 29.587 29.700 0.016 0.000 0.755 250 E HN 0.816 nan 8.360 nan 0.000 0.449 251 S N -0.371 115.300 115.700 -0.049 0.000 2.370 251 S HA -0.209 4.305 4.470 0.072 0.000 0.226 251 S C 1.920 176.425 174.600 -0.158 0.000 1.033 251 S CA 1.276 59.384 58.200 -0.153 0.000 1.011 251 S CB -0.722 62.304 63.200 -0.290 0.000 0.852 251 S HN 0.316 nan 8.310 nan 0.000 0.457 252 Y N 1.697 121.977 120.300 -0.034 0.000 2.184 252 Y HA 0.200 4.792 4.550 0.071 0.000 0.290 252 Y C 2.483 178.466 175.900 0.138 0.000 1.129 252 Y CA 0.521 58.588 58.100 -0.055 0.000 1.144 252 Y CB -0.645 37.667 38.460 -0.246 0.000 0.995 252 Y HN 0.140 nan 8.280 nan 0.000 0.513 253 L N 0.387 121.762 121.223 0.253 0.000 2.043 253 L HA -0.322 4.061 4.340 0.072 0.000 0.212 253 L C 2.594 179.558 176.870 0.156 0.000 1.075 253 L CA 1.827 56.783 54.840 0.194 0.000 0.752 253 L CB -0.500 41.633 42.059 0.124 0.000 0.891 253 L HN 0.254 nan 8.230 nan 0.000 0.432 254 K N 0.590 121.059 120.400 0.115 0.000 2.032 254 K HA -0.235 4.129 4.320 0.072 0.000 0.209 254 K C 2.081 178.739 176.600 0.097 0.000 1.048 254 K CA 1.574 57.908 56.287 0.077 0.000 0.927 254 K CB -0.017 32.506 32.500 0.038 0.000 0.712 254 K HN 0.189 nan 8.250 nan 0.000 0.441 255 K N -1.190 119.303 120.400 0.154 0.000 2.281 255 K HA -0.105 4.258 4.320 0.072 0.000 0.203 255 K C 0.868 177.542 176.600 0.123 0.000 1.046 255 K CA 1.044 57.439 56.287 0.180 0.000 0.938 255 K CB 0.071 32.769 32.500 0.330 0.000 0.737 255 K HN 0.584 nan 8.250 nan 0.000 0.458 256 G N -0.403 108.475 108.800 0.129 0.000 2.155 256 G HA2 -0.182 3.822 3.960 0.072 0.000 0.130 256 G HA3 -0.182 3.822 3.960 0.072 0.000 0.130 256 G C -0.609 174.255 174.900 -0.060 0.000 1.027 256 G CA -0.719 44.379 45.100 -0.002 0.000 0.705 256 G HN 0.132 nan 8.290 nan 0.000 0.496 257 Y N 1.679 122.022 120.300 0.072 0.000 2.310 257 Y HA 0.616 5.209 4.550 0.072 0.000 0.326 257 Y C 1.238 177.171 175.900 0.055 0.000 1.151 257 Y CA 0.356 58.500 58.100 0.073 0.000 1.195 257 Y CB 1.558 40.089 38.460 0.117 0.000 1.210 257 Y HN 0.241 nan 8.280 nan 0.000 0.483 258 S N 2.059 117.864 115.700 0.174 0.000 2.606 258 S HA -0.002 4.511 4.470 0.072 0.000 0.257 258 S C 0.779 175.451 174.600 0.119 0.000 1.327 258 S CA -0.419 57.852 58.200 0.119 0.000 0.984 258 S CB 0.537 63.787 63.200 0.083 0.000 0.941 258 S HN 0.732 nan 8.310 nan 0.000 0.576 259 L N 1.431 122.699 121.223 0.076 0.000 2.375 259 L HA 0.276 4.660 4.340 0.072 0.000 0.215 259 L C 1.123 178.009 176.870 0.028 0.000 1.108 259 L CA 1.188 56.059 54.840 0.053 0.000 0.830 259 L CB -0.546 41.540 42.059 0.045 0.000 0.959 259 L HN 0.887 nan 8.230 nan 0.000 0.457 260 N N -2.255 116.466 118.700 0.035 0.000 2.275 260 N HA 0.084 4.867 4.740 0.072 0.000 0.236 260 N C -0.402 175.127 175.510 0.031 0.000 1.154 260 N CA -0.368 52.697 53.050 0.025 0.000 0.866 260 N CB -0.519 37.987 38.487 0.032 0.000 1.093 260 N HN 0.093 nan 8.380 nan 0.000 0.515 261 D N 1.291 121.715 120.400 0.040 0.000 2.378 261 D HA 0.085 4.768 4.640 0.072 0.000 0.238 261 D C 0.098 176.395 176.300 -0.006 0.000 1.180 261 D CA 0.394 54.428 54.000 0.057 0.000 0.895 261 D CB 1.216 42.102 40.800 0.143 0.000 1.192 261 D HN 0.158 nan 8.370 nan 0.000 0.438 262 R N 0.503 121.012 120.500 0.015 0.000 2.338 262 R HA 0.457 4.840 4.340 0.072 0.000 0.317 262 R C -0.372 175.900 176.300 -0.047 0.000 0.968 262 R CA -0.772 55.315 56.100 -0.023 0.000 0.849 262 R CB 1.496 31.808 30.300 0.019 0.000 1.128 262 R HN 0.235 nan 8.270 nan 0.000 0.448 263 V N -0.880 118.957 119.914 -0.128 0.000 3.001 263 V HA 0.756 4.919 4.120 0.072 0.000 0.314 263 V C 0.334 176.378 176.094 -0.082 0.000 1.099 263 V CA -1.137 61.077 62.300 -0.143 0.000 0.989 263 V CB 1.881 33.468 31.823 -0.393 0.000 1.040 263 V HN 0.768 nan 8.190 nan 0.000 0.434 264 G N 0.954 109.742 108.800 -0.020 0.000 2.334 264 G HA2 0.423 4.427 3.960 0.072 0.000 0.261 264 G HA3 0.423 4.427 3.960 0.072 0.000 0.261 264 G C 0.738 175.639 174.900 0.001 0.000 1.257 264 G CA 0.466 45.573 45.100 0.012 0.000 0.935 264 G HN 1.441 nan 8.290 nan 0.000 0.480 265 T N -1.339 113.209 114.554 -0.011 0.000 3.022 265 T HA 0.333 4.726 4.350 0.072 0.000 0.250 265 T C 1.002 175.664 174.700 -0.063 0.000 1.060 265 T CA 0.463 62.548 62.100 -0.024 0.000 1.013 265 T CB 0.131 68.983 68.868 -0.028 0.000 0.982 265 T HN 0.978 nan 8.240 nan 0.000 0.508 266 S N -0.513 115.149 115.700 -0.062 0.000 2.537 266 S HA 0.613 5.126 4.470 0.072 0.000 0.270 266 S C -0.556 173.998 174.600 -0.078 0.000 1.142 266 S CA -1.076 56.997 58.200 -0.211 0.000 0.870 266 S CB 1.405 64.452 63.200 -0.256 0.000 1.112 266 S HN 0.346 nan 8.310 nan 0.000 0.466 267 Y N 0.271 120.604 120.300 0.054 0.000 2.892 267 Y HA -0.394 4.194 4.550 0.063 0.000 0.465 267 Y C 1.853 177.814 175.900 0.102 0.000 1.195 267 Y CA 0.793 58.935 58.100 0.069 0.000 2.512 267 Y CB -1.292 37.202 38.460 0.058 0.000 1.230 267 Y HN 0.621 nan 8.280 nan 0.000 0.633 268 L N 0.034 121.443 121.223 0.311 0.000 2.081 268 L HA -0.234 4.149 4.340 0.072 0.000 0.212 268 L C 2.260 179.278 176.870 0.246 0.000 1.080 268 L CA 1.868 56.874 54.840 0.278 0.000 0.754 268 L CB -0.601 41.567 42.059 0.182 0.000 0.893 268 L HN 0.551 nan 8.230 nan 0.000 0.433 269 E N 0.229 120.532 120.200 0.172 0.000 2.077 269 E HA -0.253 4.140 4.350 0.072 0.000 0.193 269 E C 2.062 178.736 176.600 0.123 0.000 0.989 269 E CA 1.186 57.664 56.400 0.130 0.000 0.800 269 E CB -0.068 29.683 29.700 0.085 0.000 0.746 269 E HN 0.462 nan 8.360 nan 0.000 0.452 270 K N 0.975 121.432 120.400 0.095 0.000 1.973 270 K HA -0.233 4.131 4.320 0.072 0.000 0.210 270 K C 2.333 178.970 176.600 0.062 0.000 1.045 270 K CA 1.580 57.903 56.287 0.060 0.000 0.937 270 K CB -0.071 32.433 32.500 0.006 0.000 0.721 270 K HN -0.136 nan 8.250 nan 0.000 0.438 271 Q N -0.188 119.656 119.800 0.072 0.000 2.156 271 Q HA -0.198 4.186 4.340 0.072 0.000 0.211 271 Q C 0.616 176.524 176.000 -0.154 0.000 0.995 271 Q CA 1.953 57.739 55.803 -0.029 0.000 0.877 271 Q CB -0.151 28.614 28.738 0.045 0.000 0.920 271 Q HN 0.487 nan 8.270 nan 0.000 0.416 272 Y N -0.485 119.854 120.300 0.066 0.000 2.708 272 Y HA 0.193 4.781 4.550 0.063 0.000 0.287 272 Y C 1.207 177.149 175.900 0.070 0.000 1.145 272 Y CA 0.047 58.188 58.100 0.068 0.000 1.249 272 Y CB 0.145 38.650 38.460 0.075 0.000 1.152 272 Y HN 0.214 nan 8.280 nan 0.000 0.532 273 E N 1.496 121.782 120.200 0.143 0.000 2.118 273 E HA -0.269 4.125 4.350 0.072 0.000 0.195 273 E C 1.911 178.604 176.600 0.155 0.000 0.992 273 E CA 1.945 58.427 56.400 0.136 0.000 0.804 273 E CB 0.029 29.798 29.700 0.116 0.000 0.741 273 E HN 0.580 nan 8.360 nan 0.000 0.458 274 E N -0.643 119.637 120.200 0.133 0.000 2.274 274 E HA -0.091 4.302 4.350 0.072 0.000 0.194 274 E C 1.610 178.280 176.600 0.117 0.000 0.996 274 E CA 1.021 57.501 56.400 0.134 0.000 0.840 274 E CB 0.234 29.988 29.700 0.090 0.000 0.772 274 E HN 0.265 nan 8.360 nan 0.000 0.491 275 V N 0.639 120.637 119.914 0.140 0.000 2.878 275 V HA -0.095 4.068 4.120 0.072 0.000 0.250 275 V C 2.003 178.169 176.094 0.120 0.000 1.075 275 V CA 0.767 63.153 62.300 0.142 0.000 1.096 275 V CB 0.015 31.968 31.823 0.217 0.000 0.724 275 V HN 0.266 nan 8.190 nan 0.000 0.467 276 L N -1.069 120.228 121.223 0.123 0.000 2.221 276 L HA 0.147 4.530 4.340 0.072 0.000 0.202 276 L C 1.306 178.207 176.870 0.052 0.000 1.074 276 L CA 0.174 55.065 54.840 0.085 0.000 0.795 276 L CB -0.135 41.978 42.059 0.090 0.000 0.960 276 L HN 0.243 nan 8.230 nan 0.000 0.458 277 Q N 1.601 121.449 119.800 0.080 0.000 2.269 277 Q HA 0.128 4.511 4.340 0.072 0.000 0.300 277 Q C 0.222 176.239 176.000 0.027 0.000 1.070 277 Q CA 0.385 56.231 55.803 0.072 0.000 0.957 277 Q CB 0.923 29.760 28.738 0.165 0.000 1.131 277 Q HN 0.231 nan 8.270 nan 0.000 0.377 278 G N 3.683 112.474 108.800 -0.014 0.000 2.503 278 G HA2 0.147 4.151 3.960 0.072 0.000 0.257 278 G HA3 0.147 4.151 3.960 0.072 0.000 0.257 278 G C -0.883 174.004 174.900 -0.022 0.000 1.214 278 G CA -0.677 44.403 45.100 -0.033 0.000 0.839 278 G HN 0.734 nan 8.290 nan 0.000 0.559 279 K N 0.958 121.346 120.400 -0.020 0.000 2.412 279 K HA 0.084 4.447 4.320 0.072 0.000 0.281 279 K C 0.505 177.097 176.600 -0.013 0.000 1.027 279 K CA -0.180 56.094 56.287 -0.023 0.000 0.989 279 K CB 0.391 32.882 32.500 -0.015 0.000 0.935 279 K HN 0.503 nan 8.250 nan 0.000 0.475 280 R N 4.561 125.048 120.500 -0.021 0.000 2.441 280 R HA 0.215 4.599 4.340 0.072 0.000 0.284 280 R C -2.368 173.936 176.300 0.007 0.000 1.070 280 R CA -1.971 54.128 56.100 -0.001 0.000 1.047 280 R CB 0.211 30.502 30.300 -0.015 0.000 1.016 280 R HN 0.462 nan 8.270 nan 0.000 0.477 281 P HA 0.105 nan 4.420 nan 0.000 0.275 281 P C -0.744 176.566 177.300 0.015 0.000 1.227 281 P CA -0.243 62.871 63.100 0.023 0.000 0.781 281 P CB 0.881 32.603 31.700 0.037 0.000 0.906 282 V N 4.485 124.405 119.914 0.009 0.000 2.487 282 V HA 0.409 4.572 4.120 0.072 0.000 0.298 282 V C 0.048 176.145 176.094 0.006 0.000 1.028 282 V CA -0.447 61.856 62.300 0.005 0.000 0.860 282 V CB 1.749 33.571 31.823 -0.002 0.000 0.991 282 V HN 0.437 nan 8.190 nan 0.000 0.427 283 K N 3.190 123.592 120.400 0.004 0.000 2.371 283 K HA 0.636 4.999 4.320 0.072 0.000 0.251 283 K C -1.028 175.569 176.600 -0.004 0.000 0.934 283 K CA -0.733 55.555 56.287 0.002 0.000 0.798 283 K CB 2.717 35.218 32.500 0.001 0.000 1.204 283 K HN 0.676 nan 8.250 nan 0.000 0.427 284 E N 3.185 123.386 120.200 0.000 0.000 2.331 284 E HA 0.207 4.600 4.350 0.072 0.000 0.243 284 E C -0.976 175.627 176.600 0.004 0.000 0.925 284 E CA -0.598 55.799 56.400 -0.005 0.000 0.760 284 E CB 0.924 30.625 29.700 0.002 0.000 1.254 284 E HN 0.306 nan 8.360 nan 0.000 0.419 285 I N 3.542 124.093 120.570 -0.032 0.000 2.363 285 I HA 0.052 4.265 4.170 0.072 0.000 0.292 285 I C 0.519 176.590 176.117 -0.078 0.000 1.075 285 I CA -0.284 60.972 61.300 -0.073 0.000 1.333 285 I CB -0.480 37.465 38.000 -0.091 0.000 1.415 285 I HN 0.428 nan 8.210 nan 0.000 0.502 286 H N 6.048 125.091 119.070 -0.045 0.000 2.615 286 H HA 0.663 5.262 4.556 0.072 0.000 0.363 286 H C -0.258 175.045 175.328 -0.042 0.000 1.148 286 H CA -0.931 55.087 56.048 -0.050 0.000 1.401 286 H CB 0.685 30.424 29.762 -0.039 0.000 1.461 286 H HN 0.418 nan 8.280 nan 0.000 0.588 287 L N 0.014 121.260 121.223 0.039 0.000 2.664 287 L HA 0.624 5.007 4.340 0.072 0.000 0.253 287 L C 0.169 177.062 176.870 0.039 0.000 1.293 287 L CA -0.948 53.885 54.840 -0.012 0.000 1.280 287 L CB 0.384 42.424 42.059 -0.032 0.000 1.993 287 L HN 0.955 nan 8.230 nan 0.000 0.577 288 D N -1.984 118.430 120.400 0.023 0.000 3.076 288 D HA 0.197 4.881 4.640 0.072 0.000 0.301 288 D C 0.338 176.628 176.300 -0.016 0.000 1.260 288 D CA -0.208 53.801 54.000 0.016 0.000 1.027 288 D CB 0.963 41.778 40.800 0.024 0.000 1.370 288 D HN 0.579 nan 8.370 nan 0.000 0.602 289 K N -0.138 120.212 120.400 -0.083 0.000 1.985 289 K HA -0.165 4.198 4.320 0.072 0.000 0.210 289 K C 1.921 178.444 176.600 -0.128 0.000 1.047 289 K CA 1.256 57.451 56.287 -0.154 0.000 0.932 289 K CB -0.807 31.524 32.500 -0.282 0.000 0.716 289 K HN 0.338 nan 8.250 nan 0.000 0.439 290 H N 0.205 119.283 119.070 0.014 0.000 2.387 290 H HA -0.062 4.537 4.556 0.072 0.000 0.299 290 H C 1.804 177.149 175.328 0.028 0.000 1.099 290 H CA 1.780 57.839 56.048 0.018 0.000 1.315 290 H CB 0.111 29.881 29.762 0.014 0.000 1.380 290 H HN 0.750 nan 8.280 nan 0.000 0.513 291 G N 0.094 108.977 108.800 0.138 0.000 2.380 291 G HA2 -0.191 3.812 3.960 0.072 0.000 0.197 291 G HA3 -0.191 3.812 3.960 0.072 0.000 0.197 291 G C -0.122 174.843 174.900 0.107 0.000 1.001 291 G CA 0.068 45.234 45.100 0.111 0.000 0.668 291 G HN 0.294 nan 8.290 nan 0.000 0.483 292 D N 1.691 122.156 120.400 0.109 0.000 2.378 292 D HA 0.451 5.134 4.640 0.072 0.000 0.238 292 D C 1.422 177.738 176.300 0.028 0.000 1.180 292 D CA 0.514 54.556 54.000 0.071 0.000 0.895 292 D CB 0.556 41.390 40.800 0.057 0.000 1.192 292 D HN 0.706 nan 8.370 nan 0.000 0.438 293 M N -0.669 118.930 119.600 -0.002 0.000 2.255 293 M HA 0.335 4.859 4.480 0.072 0.000 0.336 293 M C 0.251 176.496 176.300 -0.093 0.000 1.135 293 M CA 0.109 55.372 55.300 -0.060 0.000 1.145 293 M CB 1.673 34.234 32.600 -0.064 0.000 1.473 293 M HN 0.245 nan 8.290 nan 0.000 0.462 294 E N 0.904 120.986 120.200 -0.197 0.000 3.332 294 E HA 0.322 4.715 4.350 0.072 0.000 0.315 294 E C -0.404 176.015 176.600 -0.302 0.000 0.803 294 E CA -0.427 55.828 56.400 -0.242 0.000 1.261 294 E CB 0.758 30.288 29.700 -0.284 0.000 2.649 294 E HN 0.778 nan 8.360 nan 0.000 0.554 295 S N 0.768 116.128 115.700 -0.566 0.000 2.525 295 S HA 0.313 4.826 4.470 0.072 0.000 0.290 295 S C -0.650 173.833 174.600 -0.194 0.000 1.152 295 S CA -0.604 57.416 58.200 -0.300 0.000 1.072 295 S CB 1.403 64.549 63.200 -0.090 0.000 1.027 295 S HN 0.129 nan 8.310 nan 0.000 0.500 296 V N 4.685 124.560 119.914 -0.066 0.000 2.372 296 V HA 0.206 4.369 4.120 0.072 0.000 0.261 296 V C 0.581 176.691 176.094 0.027 0.000 1.055 296 V CA -0.592 61.696 62.300 -0.021 0.000 0.930 296 V CB 0.165 31.975 31.823 -0.021 0.000 1.031 296 V HN 0.905 nan 8.190 nan 0.000 0.479 297 E N 3.042 123.277 120.200 0.058 0.000 1.865 297 E HA 0.075 4.469 4.350 0.072 0.000 0.269 297 E C -0.084 176.532 176.600 0.026 0.000 1.177 297 E CA -0.503 55.929 56.400 0.054 0.000 0.932 297 E CB 0.075 29.816 29.700 0.067 0.000 1.066 297 E HN 0.538 nan 8.360 nan 0.000 0.405 298 N N 4.602 123.314 118.700 0.019 0.000 2.454 298 N HA 0.003 4.787 4.740 0.072 0.000 0.285 298 N C 0.523 176.040 175.510 0.011 0.000 1.233 298 N CA 0.025 53.083 53.050 0.013 0.000 1.036 298 N CB 0.006 38.500 38.487 0.013 0.000 1.423 298 N HN 0.578 nan 8.380 nan 0.000 0.495 299 I N 0.981 121.556 120.570 0.008 0.000 2.072 299 I HA -0.181 4.032 4.170 0.072 0.000 0.235 299 I C 0.290 176.409 176.117 0.003 0.000 1.058 299 I CA 1.236 62.539 61.300 0.004 0.000 1.320 299 I CB -0.040 37.961 38.000 0.001 0.000 1.047 299 I HN 0.453 nan 8.210 nan 0.000 0.397 300 E N 0.741 120.943 120.200 0.003 0.000 2.187 300 E HA 0.273 4.667 4.350 0.072 0.000 0.268 300 E C -0.973 175.631 176.600 0.008 0.000 0.896 300 E CA -0.361 56.041 56.400 0.003 0.000 0.766 300 E CB 1.518 31.216 29.700 -0.002 0.000 1.142 300 E HN 0.149 nan 8.360 nan 0.000 0.408 301 E N 1.681 121.887 120.200 0.010 0.000 2.200 301 E HA 0.280 4.674 4.350 0.072 0.000 0.283 301 E C 0.117 176.727 176.600 0.018 0.000 1.015 301 E CA -0.591 55.819 56.400 0.017 0.000 0.819 301 E CB 1.361 31.071 29.700 0.018 0.000 1.081 301 E HN 0.577 nan 8.360 nan 0.000 0.397 302 G N 1.742 110.557 108.800 0.026 0.000 2.569 302 G HA2 0.301 4.305 3.960 0.072 0.000 0.249 302 G HA3 0.301 4.305 3.960 0.072 0.000 0.249 302 G C -0.304 174.612 174.900 0.027 0.000 1.216 302 G CA -0.293 44.823 45.100 0.026 0.000 0.845 302 G HN 0.453 nan 8.290 nan 0.000 0.568 303 S N -0.123 115.585 115.700 0.013 0.000 2.541 303 S HA 0.474 4.987 4.470 0.072 0.000 0.271 303 S C -0.512 174.078 174.600 -0.017 0.000 1.133 303 S CA -1.068 57.137 58.200 0.008 0.000 0.876 303 S CB 1.964 65.169 63.200 0.009 0.000 1.105 303 S HN 0.823 nan 8.310 nan 0.000 0.470 304 K N 1.125 121.508 120.400 -0.028 0.000 2.550 304 K HA 0.239 4.602 4.320 0.072 0.000 0.280 304 K C 0.855 177.431 176.600 -0.041 0.000 0.987 304 K CA 0.456 56.702 56.287 -0.069 0.000 1.048 304 K CB -0.255 32.214 32.500 -0.052 0.000 0.879 304 K HN 0.876 nan 8.250 nan 0.000 0.491 305 G N 3.225 111.992 108.800 -0.055 0.000 2.636 305 G HA2 0.047 4.051 3.960 0.072 0.000 0.246 305 G HA3 0.047 4.051 3.960 0.072 0.000 0.246 305 G C -0.515 174.396 174.900 0.018 0.000 1.216 305 G CA -0.553 44.540 45.100 -0.012 0.000 0.854 305 G HN 0.516 nan 8.290 nan 0.000 0.572 306 K N 0.145 120.573 120.400 0.046 0.000 2.107 306 K HA 0.170 4.534 4.320 0.072 0.000 0.251 306 K C 0.135 176.797 176.600 0.103 0.000 1.012 306 K CA -0.353 55.978 56.287 0.073 0.000 0.920 306 K CB 0.811 33.355 32.500 0.074 0.000 1.033 306 K HN 0.580 nan 8.250 nan 0.000 0.478 307 N N 0.739 119.526 118.700 0.143 0.000 2.487 307 N HA 0.382 5.166 4.740 0.072 0.000 0.292 307 N C -0.254 175.375 175.510 0.198 0.000 1.108 307 N CA -0.629 52.536 53.050 0.191 0.000 0.956 307 N CB 0.979 39.610 38.487 0.240 0.000 1.176 307 N HN 0.451 nan 8.380 nan 0.000 0.484 308 I N -2.124 118.533 120.570 0.144 0.000 2.412 308 I HA 0.516 4.729 4.170 0.072 0.000 0.296 308 I C -0.557 175.613 176.117 0.088 0.000 0.987 308 I CA -0.803 60.548 61.300 0.084 0.000 1.180 308 I CB 1.662 39.579 38.000 -0.138 0.000 1.340 308 I HN 0.347 nan 8.210 nan 0.000 0.455 309 K N 6.639 127.079 120.400 0.067 0.000 2.244 309 K HA 0.604 4.967 4.320 0.072 0.000 0.260 309 K C -1.000 175.619 176.600 0.031 0.000 0.951 309 K CA -0.707 55.565 56.287 -0.025 0.000 0.826 309 K CB 1.617 33.916 32.500 -0.335 0.000 1.108 309 K HN 0.729 nan 8.250 nan 0.000 0.433 310 L N 2.275 123.512 121.223 0.025 0.000 2.454 310 L HA 0.261 4.644 4.340 0.072 0.000 0.256 310 L C 1.640 178.544 176.870 0.057 0.000 1.136 310 L CA -0.518 54.343 54.840 0.034 0.000 0.804 310 L CB 1.140 43.213 42.059 0.024 0.000 1.181 310 L HN 0.873 nan 8.230 nan 0.000 0.469 311 T N -2.891 111.695 114.554 0.053 0.000 3.067 311 T HA 0.250 4.643 4.350 0.072 0.000 0.257 311 T C 0.640 175.376 174.700 0.060 0.000 1.105 311 T CA 0.084 62.210 62.100 0.044 0.000 1.104 311 T CB -0.156 68.695 68.868 -0.030 0.000 0.925 311 T HN 0.257 nan 8.240 nan 0.000 0.498 312 I N 2.574 123.185 120.570 0.070 0.000 2.395 312 I HA 0.248 4.461 4.170 0.072 0.000 0.289 312 I C -0.020 176.175 176.117 0.131 0.000 1.023 312 I CA -0.677 60.690 61.300 0.111 0.000 1.350 312 I CB 0.885 38.936 38.000 0.085 0.000 1.409 312 I HN 0.101 nan 8.210 nan 0.000 0.507 313 D N 5.487 126.007 120.400 0.200 0.000 2.277 313 D HA 0.061 4.744 4.640 0.072 0.000 0.249 313 D C 0.843 177.240 176.300 0.161 0.000 1.134 313 D CA -0.362 53.760 54.000 0.204 0.000 0.863 313 D CB 1.571 42.559 40.800 0.314 0.000 1.143 313 D HN 0.340 nan 8.370 nan 0.000 0.458 314 L N 4.909 126.194 121.223 0.104 0.000 2.043 314 L HA -0.205 4.178 4.340 0.072 0.000 0.212 314 L C 2.287 179.181 176.870 0.039 0.000 1.075 314 L CA 2.080 56.954 54.840 0.057 0.000 0.752 314 L CB -0.786 41.298 42.059 0.042 0.000 0.891 314 L HN 0.613 nan 8.230 nan 0.000 0.432 315 A N -1.604 121.249 122.820 0.056 0.000 1.898 315 A HA -0.254 4.109 4.320 0.072 0.000 0.216 315 A C 2.247 179.804 177.584 -0.044 0.000 1.181 315 A CA 1.651 53.692 52.037 0.006 0.000 0.620 315 A CB -0.978 18.037 19.000 0.025 0.000 0.819 315 A HN 0.429 nan 8.150 nan 0.000 0.442 316 F N 0.703 120.533 119.950 -0.200 0.000 2.075 316 F HA -0.195 4.371 4.527 0.065 0.000 0.297 316 F C 2.445 178.202 175.800 -0.071 0.000 1.113 316 F CA 2.265 60.154 58.000 -0.185 0.000 1.218 316 F CB -0.738 38.206 39.000 -0.092 0.000 0.984 316 F HN 0.340 nan 8.300 nan 0.000 0.472 317 Q N 0.643 120.355 119.800 -0.147 0.000 2.112 317 Q HA -0.236 4.148 4.340 0.072 0.000 0.206 317 Q C 1.801 177.683 176.000 -0.197 0.000 0.987 317 Q CA 2.401 58.083 55.803 -0.202 0.000 0.858 317 Q CB -0.589 28.116 28.738 -0.056 0.000 0.905 317 Q HN 0.427 nan 8.270 nan 0.000 0.420 318 D N -0.801 119.521 120.400 -0.130 0.000 2.117 318 D HA -0.122 4.562 4.640 0.072 0.000 0.197 318 D C 1.967 178.188 176.300 -0.132 0.000 0.987 318 D CA 1.674 55.610 54.000 -0.106 0.000 0.829 318 D CB -0.278 40.484 40.800 -0.063 0.000 0.961 318 D HN 0.479 nan 8.370 nan 0.000 0.460 319 S N -0.160 115.439 115.700 -0.169 0.000 2.414 319 S HA -0.042 4.471 4.470 0.072 0.000 0.227 319 S C 2.234 176.719 174.600 -0.191 0.000 1.022 319 S CA 0.317 58.429 58.200 -0.146 0.000 0.958 319 S CB -0.433 62.709 63.200 -0.097 0.000 0.797 319 S HN 0.053 nan 8.310 nan 0.000 0.493 320 V N 3.013 122.723 119.914 -0.339 0.000 2.343 320 V HA -0.175 3.988 4.120 0.072 0.000 0.247 320 V C 2.385 178.368 176.094 -0.186 0.000 1.051 320 V CA 2.193 64.313 62.300 -0.300 0.000 1.036 320 V CB -0.834 30.721 31.823 -0.448 0.000 0.654 320 V HN 0.411 nan 8.190 nan 0.000 0.451 321 D N 0.424 120.718 120.400 -0.177 0.000 2.117 321 D HA -0.124 4.559 4.640 0.072 0.000 0.197 321 D C 2.218 178.456 176.300 -0.105 0.000 0.987 321 D CA 1.655 55.571 54.000 -0.139 0.000 0.829 321 D CB -0.309 40.417 40.800 -0.123 0.000 0.961 321 D HN 0.450 nan 8.370 nan 0.000 0.460 322 A N 0.592 123.359 122.820 -0.088 0.000 1.898 322 A HA -0.114 4.249 4.320 0.072 0.000 0.216 322 A C 2.193 179.762 177.584 -0.025 0.000 1.181 322 A CA 0.905 52.908 52.037 -0.055 0.000 0.620 322 A CB -0.711 18.259 19.000 -0.050 0.000 0.819 322 A HN 0.245 nan 8.150 nan 0.000 0.442 323 L N -1.038 120.176 121.223 -0.014 0.000 2.046 323 L HA -0.103 4.280 4.340 0.072 0.000 0.208 323 L C 2.151 179.101 176.870 0.133 0.000 1.077 323 L CA 1.516 56.400 54.840 0.074 0.000 0.747 323 L CB -0.350 41.751 42.059 0.071 0.000 0.896 323 L HN 0.266 nan 8.230 nan 0.000 0.432 324 L N -0.292 120.943 121.223 0.020 0.000 2.093 324 L HA -0.167 4.216 4.340 0.072 0.000 0.208 324 L C 2.524 179.403 176.870 0.015 0.000 1.085 324 L CA 1.677 56.509 54.840 -0.014 0.000 0.755 324 L CB -0.906 41.065 42.059 -0.147 0.000 0.904 324 L HN 0.327 nan 8.230 nan 0.000 0.435 325 K N -1.390 118.998 120.400 -0.019 0.000 2.097 325 K HA -0.150 4.214 4.320 0.072 0.000 0.205 325 K C 2.424 179.053 176.600 0.049 0.000 1.050 325 K CA 1.292 57.572 56.287 -0.011 0.000 0.938 325 K CB -0.053 32.417 32.500 -0.049 0.000 0.718 325 K HN 0.249 nan 8.250 nan 0.000 0.442 326 S N -0.267 115.453 115.700 0.033 0.000 2.348 326 S HA -0.190 4.323 4.470 0.072 0.000 0.221 326 S C 1.913 176.512 174.600 -0.002 0.000 1.033 326 S CA 1.239 59.431 58.200 -0.012 0.000 1.010 326 S CB -0.488 62.673 63.200 -0.063 0.000 0.891 326 S HN 0.438 nan 8.310 nan 0.000 0.442 327 Y N 0.214 120.528 120.300 0.023 0.000 2.165 327 Y HA -0.075 4.520 4.550 0.076 0.000 0.286 327 Y C 2.181 178.135 175.900 0.091 0.000 1.155 327 Y CA 1.936 60.069 58.100 0.055 0.000 1.164 327 Y CB -0.666 37.843 38.460 0.082 0.000 0.978 327 Y HN 0.397 nan 8.280 nan 0.000 0.513 328 F N 0.818 120.828 119.950 0.099 0.000 2.102 328 F HA -0.250 4.320 4.527 0.072 0.000 0.298 328 F C 2.167 177.964 175.800 -0.005 0.000 1.105 328 F CA 1.498 59.506 58.000 0.012 0.000 1.239 328 F CB -0.360 38.526 39.000 -0.189 0.000 0.991 328 F HN 0.012 nan 8.300 nan 0.000 0.474 329 N N -0.316 118.487 118.700 0.170 0.000 2.149 329 N HA -0.208 4.576 4.740 0.072 0.000 0.188 329 N C 2.122 177.611 175.510 -0.035 0.000 1.019 329 N CA 1.452 54.535 53.050 0.055 0.000 0.857 329 N CB -0.722 37.786 38.487 0.036 0.000 0.997 329 N HN 0.266 nan 8.380 nan 0.000 0.426 330 S N 0.705 116.381 115.700 -0.040 0.000 2.382 330 S HA -0.091 4.423 4.470 0.072 0.000 0.228 330 S C 1.501 176.047 174.600 -0.091 0.000 1.027 330 S CA 0.970 59.126 58.200 -0.073 0.000 0.991 330 S CB 0.049 63.188 63.200 -0.101 0.000 0.823 330 S HN 0.235 nan 8.310 nan 0.000 0.469 331 E N 0.719 120.851 120.200 -0.113 0.000 2.299 331 E HA 0.077 4.470 4.350 0.072 0.000 0.193 331 E C 2.039 178.497 176.600 -0.237 0.000 0.998 331 E CA 0.277 56.569 56.400 -0.179 0.000 0.851 331 E CB -0.226 29.358 29.700 -0.195 0.000 0.795 331 E HN 0.513 nan 8.360 nan 0.000 0.492 332 L N 0.231 121.295 121.223 -0.264 0.000 2.056 332 L HA -0.075 4.308 4.340 0.072 0.000 0.207 332 L C 2.491 179.286 176.870 -0.124 0.000 1.078 332 L CA 1.230 55.946 54.840 -0.206 0.000 0.749 332 L CB -0.786 41.179 42.059 -0.156 0.000 0.901 332 L HN 0.174 nan 8.230 nan 0.000 0.433 333 G N 1.337 110.077 108.800 -0.100 0.000 2.491 333 G HA2 -0.364 3.640 3.960 0.072 0.000 0.218 333 G HA3 -0.364 3.640 3.960 0.072 0.000 0.218 333 G C 1.183 176.038 174.900 -0.076 0.000 1.180 333 G CA 1.345 46.400 45.100 -0.075 0.000 0.774 333 G HN 0.614 nan 8.290 nan 0.000 0.562 334 N N -0.262 118.385 118.700 -0.089 0.000 2.412 334 N HA 0.305 5.088 4.740 0.072 0.000 0.184 334 N C 1.524 176.985 175.510 -0.082 0.000 1.101 334 N CA 1.324 54.325 53.050 -0.080 0.000 0.881 334 N CB 0.186 38.624 38.487 -0.081 0.000 0.969 334 N HN 0.650 nan 8.380 nan 0.000 0.459 335 G N -1.343 107.398 108.800 -0.099 0.000 2.254 335 G HA2 -0.253 3.750 3.960 0.072 0.000 0.225 335 G HA3 -0.253 3.750 3.960 0.072 0.000 0.225 335 G C 1.178 176.014 174.900 -0.107 0.000 1.003 335 G CA 0.173 45.216 45.100 -0.095 0.000 0.622 335 G HN 0.639 nan 8.290 nan 0.000 0.507 336 G N 1.002 109.727 108.800 -0.124 0.000 2.469 336 G HA2 0.179 4.182 3.960 0.072 0.000 0.220 336 G HA3 0.179 4.182 3.960 0.072 0.000 0.220 336 G C 1.694 176.512 174.900 -0.137 0.000 1.136 336 G CA 2.432 47.450 45.100 -0.137 0.000 0.759 336 G HN 1.723 nan 8.290 nan 0.000 0.562 337 A N -0.314 122.387 122.820 -0.199 0.000 2.337 337 A HA 0.386 4.750 4.320 0.072 0.000 0.227 337 A C 1.877 179.400 177.584 -0.103 0.000 1.259 337 A CA 1.068 52.989 52.037 -0.194 0.000 0.870 337 A CB -0.209 18.444 19.000 -0.579 0.000 0.927 337 A HN 0.390 nan 8.150 nan 0.000 0.497 338 K N -0.618 119.696 120.400 -0.143 0.000 2.074 338 K HA -0.187 4.177 4.320 0.072 0.000 0.209 338 K C 0.267 176.704 176.600 -0.272 0.000 1.048 338 K CA 1.966 58.093 56.287 -0.266 0.000 0.926 338 K CB -0.258 31.954 32.500 -0.480 0.000 0.713 338 K HN 0.587 nan 8.250 nan 0.000 0.444 339 Y N -0.056 120.360 120.300 0.192 0.000 2.681 339 Y HA 0.281 4.873 4.550 0.071 0.000 0.267 339 Y C 0.111 176.189 175.900 0.297 0.000 1.166 339 Y CA -0.572 57.653 58.100 0.209 0.000 1.209 339 Y CB 0.585 39.104 38.460 0.098 0.000 1.161 339 Y HN -0.101 nan 8.280 nan 0.000 0.534 340 S N 0.677 116.675 115.700 0.497 0.000 2.545 340 S HA 0.106 4.620 4.470 0.072 0.000 0.275 340 S C 0.867 175.870 174.600 0.672 0.000 1.299 340 S CA -0.504 58.055 58.200 0.597 0.000 1.048 340 S CB 0.857 64.443 63.200 0.643 0.000 0.938 340 S HN 0.460 nan 8.310 nan 0.000 0.496 341 E N 2.925 123.440 120.200 0.526 0.000 2.481 341 E HA 0.364 4.757 4.350 0.072 0.000 0.195 341 E C 0.949 177.742 176.600 0.322 0.000 1.047 341 E CA 0.505 57.147 56.400 0.403 0.000 0.867 341 E CB 0.104 30.040 29.700 0.393 0.000 0.858 341 E HN 0.813 nan 8.360 nan 0.000 0.513 342 G N -1.011 107.953 108.800 0.273 0.000 2.350 342 G HA2 0.225 4.229 3.960 0.072 0.000 0.282 342 G HA3 0.225 4.229 3.960 0.072 0.000 0.282 342 G C -1.847 172.887 174.900 -0.276 0.000 1.314 342 G CA -0.374 44.597 45.100 -0.214 0.000 0.915 342 G HN 0.170 nan 8.290 nan 0.000 0.499 343 V N -0.336 119.141 119.914 -0.728 0.000 2.888 343 V HA 0.859 5.023 4.120 0.072 0.000 0.309 343 V C -1.742 173.800 176.094 -0.919 0.000 1.114 343 V CA -0.881 61.001 62.300 -0.697 0.000 0.940 343 V CB 1.791 33.133 31.823 -0.802 0.000 1.021 343 V HN 0.977 nan 8.190 nan 0.000 0.426 344 Y N 3.700 123.828 120.300 -0.286 0.000 2.512 344 Y HA 0.893 5.488 4.550 0.075 0.000 0.348 344 Y C 0.202 176.022 175.900 -0.134 0.000 0.990 344 Y CA -0.193 57.794 58.100 -0.189 0.000 1.033 344 Y CB 2.531 40.887 38.460 -0.173 0.000 1.259 344 Y HN 0.912 nan 8.280 nan 0.000 0.461 345 A N 1.523 124.353 122.820 0.017 0.000 2.520 345 A HA 0.877 5.240 4.320 0.072 0.000 0.298 345 A C -2.017 175.584 177.584 0.029 0.000 1.051 345 A CA -0.715 51.328 52.037 0.009 0.000 0.690 345 A CB 1.433 20.407 19.000 -0.044 0.000 1.281 345 A HN 0.468 nan 8.150 nan 0.000 0.402 346 V N 0.930 120.870 119.914 0.042 0.000 2.623 346 V HA 0.750 4.913 4.120 0.072 0.000 0.304 346 V C 0.154 176.270 176.094 0.036 0.000 1.054 346 V CA -0.186 62.140 62.300 0.043 0.000 0.882 346 V CB 1.584 33.443 31.823 0.060 0.000 1.002 346 V HN 1.515 nan 8.190 nan 0.000 0.424 347 A N 5.887 128.727 122.820 0.033 0.000 2.337 347 A HA 0.989 5.352 4.320 0.072 0.000 0.329 347 A C -1.078 176.487 177.584 -0.032 0.000 1.146 347 A CA -0.528 51.515 52.037 0.010 0.000 0.800 347 A CB 1.148 20.181 19.000 0.055 0.000 1.220 347 A HN 0.782 nan 8.150 nan 0.000 0.472 348 L N 1.498 122.676 121.223 -0.075 0.000 2.409 348 L HA 0.418 4.801 4.340 0.072 0.000 0.262 348 L C -0.429 176.358 176.870 -0.139 0.000 0.992 348 L CA -1.122 53.664 54.840 -0.090 0.000 0.817 348 L CB 2.158 44.192 42.059 -0.042 0.000 1.350 348 L HN 0.763 nan 8.230 nan 0.000 0.411 349 N N 3.685 122.299 118.700 -0.142 0.000 2.401 349 N HA 0.176 4.959 4.740 0.072 0.000 0.255 349 N C -1.839 173.631 175.510 -0.065 0.000 1.110 349 N CA -1.819 51.159 53.050 -0.121 0.000 0.949 349 N CB 1.374 39.798 38.487 -0.103 0.000 1.110 349 N HN 0.319 nan 8.380 nan 0.000 0.490 350 P HA -0.064 nan 4.420 nan 0.000 0.233 350 P C 0.518 177.799 177.300 -0.030 0.000 1.167 350 P CA 1.050 64.120 63.100 -0.051 0.000 0.770 350 P CB 0.575 32.226 31.700 -0.083 0.000 0.837 351 Q N -0.552 119.239 119.800 -0.014 0.000 2.302 351 Q HA 0.004 4.387 4.340 0.072 0.000 0.202 351 Q C 1.707 177.725 176.000 0.029 0.000 0.936 351 Q CA 1.770 57.576 55.803 0.005 0.000 0.886 351 Q CB 0.068 28.816 28.738 0.016 0.000 0.986 351 Q HN 0.350 nan 8.270 nan 0.000 0.487 352 T N -6.280 108.298 114.554 0.040 0.000 2.969 352 T HA 0.329 4.723 4.350 0.072 0.000 0.258 352 T C 1.339 176.126 174.700 0.145 0.000 0.962 352 T CA 0.519 62.679 62.100 0.101 0.000 0.903 352 T CB 1.020 69.967 68.868 0.130 0.000 1.177 352 T HN 0.285 nan 8.240 nan 0.000 0.511 353 G N 1.903 110.733 108.800 0.049 0.000 2.199 353 G HA2 -0.056 3.948 3.960 0.072 0.000 0.254 353 G HA3 -0.056 3.948 3.960 0.072 0.000 0.254 353 G C 0.445 175.223 174.900 -0.203 0.000 0.982 353 G CA -0.042 45.071 45.100 0.021 0.000 0.632 353 G HN 1.383 nan 8.290 nan 0.000 0.529 354 A N 0.195 122.814 122.820 -0.335 0.000 2.546 354 A HA 0.515 4.879 4.320 0.072 0.000 0.243 354 A C 0.799 178.229 177.584 -0.256 0.000 1.063 354 A CA 0.702 52.433 52.037 -0.511 0.000 0.757 354 A CB 0.551 19.395 19.000 -0.260 0.000 0.991 354 A HN 1.200 nan 8.150 nan 0.000 0.503 355 V N 5.144 124.929 119.914 -0.214 0.000 2.455 355 V HA 0.064 4.227 4.120 0.072 0.000 0.273 355 V C 1.234 177.306 176.094 -0.037 0.000 1.045 355 V CA 0.204 62.453 62.300 -0.085 0.000 0.976 355 V CB 0.681 32.483 31.823 -0.034 0.000 0.993 355 V HN 0.858 nan 8.190 nan 0.000 0.475 356 L N 3.819 125.029 121.223 -0.022 0.000 2.168 356 L HA 0.189 4.572 4.340 0.072 0.000 0.203 356 L C 0.890 177.920 176.870 0.268 0.000 1.078 356 L CA 0.682 55.554 54.840 0.053 0.000 0.780 356 L CB -0.042 41.924 42.059 -0.155 0.000 0.939 356 L HN 0.806 nan 8.230 nan 0.000 0.451 357 S N -0.830 114.978 115.700 0.179 0.000 2.565 357 S HA 0.669 5.182 4.470 0.072 0.000 0.269 357 S C -0.922 173.696 174.600 0.029 0.000 1.153 357 S CA -0.862 57.393 58.200 0.091 0.000 0.835 357 S CB 1.841 65.023 63.200 -0.029 0.000 1.122 357 S HN 0.068 nan 8.310 nan 0.000 0.462 358 M N 2.247 121.850 119.600 0.005 0.000 2.007 358 M HA 0.461 4.985 4.480 0.072 0.000 0.285 358 M C -1.082 175.213 176.300 -0.008 0.000 0.893 358 M CA -0.315 54.993 55.300 0.013 0.000 0.925 358 M CB 1.859 34.475 32.600 0.026 0.000 1.568 358 M HN 0.619 nan 8.290 nan 0.000 0.414 359 S N 0.940 116.625 115.700 -0.025 0.000 2.532 359 S HA 0.983 5.496 4.470 0.072 0.000 0.301 359 S C -0.069 174.491 174.600 -0.066 0.000 1.083 359 S CA -0.924 57.234 58.200 -0.070 0.000 1.025 359 S CB 2.218 65.339 63.200 -0.133 0.000 1.056 359 S HN 0.815 nan 8.310 nan 0.000 0.494 360 G N 0.417 109.130 108.800 -0.144 0.000 2.718 360 G HA2 0.609 4.612 3.960 0.072 0.000 0.295 360 G HA3 0.609 4.612 3.960 0.072 0.000 0.295 360 G C -2.297 172.325 174.900 -0.465 0.000 1.421 360 G CA -0.508 44.339 45.100 -0.422 0.000 0.902 360 G HN 0.536 nan 8.290 nan 0.000 0.501 361 L N 0.779 121.544 121.223 -0.764 0.000 2.406 361 L HA 0.674 5.057 4.340 0.072 0.000 0.272 361 L C -0.240 176.287 176.870 -0.570 0.000 0.980 361 L CA -0.943 53.569 54.840 -0.546 0.000 0.831 361 L CB 1.836 43.564 42.059 -0.550 0.000 1.253 361 L HN 0.552 nan 8.230 nan 0.000 0.406 362 K N 4.044 124.271 120.400 -0.288 0.000 2.185 362 K HA 0.331 4.695 4.320 0.072 0.000 0.269 362 K C -1.165 175.361 176.600 -0.124 0.000 0.987 362 K CA -0.510 55.707 56.287 -0.117 0.000 0.865 362 K CB 0.632 33.149 32.500 0.029 0.000 1.090 362 K HN 0.827 nan 8.250 nan 0.000 0.450 363 H N 4.059 123.009 119.070 -0.200 0.000 2.595 363 H HA 0.091 4.689 4.556 0.071 0.000 0.313 363 H C -1.168 174.172 175.328 0.019 0.000 1.023 363 H CA -0.713 55.261 56.048 -0.123 0.000 1.218 363 H CB 1.157 30.866 29.762 -0.089 0.000 1.403 363 H HN 0.700 nan 8.280 nan 0.000 0.477 364 D N 5.648 125.906 120.400 -0.237 0.000 2.343 364 D HA -0.006 4.677 4.640 0.072 0.000 0.255 364 D C 1.271 177.333 176.300 -0.397 0.000 1.187 364 D CA -0.186 53.681 54.000 -0.221 0.000 0.875 364 D CB 0.982 41.721 40.800 -0.102 0.000 1.136 364 D HN 0.685 nan 8.370 nan 0.000 0.469 365 L N 3.458 124.532 121.223 -0.248 0.000 2.551 365 L HA -0.057 4.326 4.340 0.072 0.000 0.228 365 L C 1.937 178.768 176.870 -0.064 0.000 1.153 365 L CA 0.536 55.278 54.840 -0.162 0.000 0.851 365 L CB -0.122 41.941 42.059 0.006 0.000 0.959 365 L HN 0.272 nan 8.230 nan 0.000 0.451 366 K N -0.211 120.152 120.400 -0.061 0.000 2.190 366 K HA 0.019 4.383 4.320 0.072 0.000 0.202 366 K C 2.024 178.613 176.600 -0.019 0.000 1.045 366 K CA 1.395 57.669 56.287 -0.021 0.000 0.976 366 K CB -0.057 32.436 32.500 -0.011 0.000 0.849 366 K HN 0.240 nan 8.250 nan 0.000 0.468 367 T N -2.869 111.665 114.554 -0.034 0.000 3.014 367 T HA 0.241 4.635 4.350 0.072 0.000 0.250 367 T C 1.551 176.253 174.700 0.003 0.000 1.060 367 T CA 0.577 62.670 62.100 -0.011 0.000 1.040 367 T CB 0.651 69.514 68.868 -0.007 0.000 0.971 367 T HN 0.362 nan 8.240 nan 0.000 0.497 368 G N 1.254 110.042 108.800 -0.019 0.000 2.225 368 G HA2 -0.220 3.784 3.960 0.072 0.000 0.254 368 G HA3 -0.220 3.784 3.960 0.072 0.000 0.254 368 G C -0.059 174.931 174.900 0.150 0.000 0.988 368 G CA 0.043 45.198 45.100 0.091 0.000 0.625 368 G HN 0.590 nan 8.290 nan 0.000 0.527 369 E N 0.412 120.648 120.200 0.060 0.000 2.392 369 E HA 0.412 4.805 4.350 0.072 0.000 0.264 369 E C 0.672 177.312 176.600 0.067 0.000 1.024 369 E CA 0.055 56.487 56.400 0.054 0.000 0.903 369 E CB 0.789 30.498 29.700 0.014 0.000 0.963 369 E HN 0.466 nan 8.360 nan 0.000 0.432 370 L N 2.411 123.654 121.223 0.033 0.000 2.307 370 L HA 0.367 4.751 4.340 0.072 0.000 0.284 370 L C 0.262 177.095 176.870 -0.063 0.000 1.023 370 L CA -0.541 54.275 54.840 -0.039 0.000 0.810 370 L CB 1.436 43.448 42.059 -0.078 0.000 1.231 370 L HN 0.522 nan 8.230 nan 0.000 0.423 371 T N 0.406 114.907 114.554 -0.088 0.000 2.916 371 T HA 0.497 4.891 4.350 0.072 0.000 0.298 371 T C -2.840 171.800 174.700 -0.100 0.000 1.031 371 T CA -2.274 59.783 62.100 -0.072 0.000 0.993 371 T CB 1.866 70.710 68.868 -0.040 0.000 1.045 371 T HN 0.192 nan 8.240 nan 0.000 0.454 372 P HA 0.173 nan 4.420 nan 0.000 0.263 372 P C -0.485 176.778 177.300 -0.060 0.000 1.175 372 P CA 0.463 63.508 63.100 -0.091 0.000 0.761 372 P CB 0.305 31.963 31.700 -0.070 0.000 0.794 373 D N 1.298 121.668 120.400 -0.051 0.000 3.220 373 D HA 0.096 4.779 4.640 0.072 0.000 0.309 373 D C 0.936 177.295 176.300 0.098 0.000 1.276 373 D CA -0.160 53.866 54.000 0.044 0.000 0.736 373 D CB -0.162 40.717 40.800 0.131 0.000 1.304 373 D HN -0.053 nan 8.370 nan 0.000 0.582 374 S N -0.196 115.513 115.700 0.015 0.000 2.374 374 S HA -0.138 4.375 4.470 0.072 0.000 0.227 374 S C 1.940 176.563 174.600 0.039 0.000 1.037 374 S CA 0.820 59.031 58.200 0.018 0.000 1.024 374 S CB -0.045 63.131 63.200 -0.040 0.000 0.861 374 S HN 0.526 nan 8.310 nan 0.000 0.456 375 L N 0.988 122.198 121.223 -0.020 0.000 2.265 375 L HA -0.065 4.319 4.340 0.072 0.000 0.215 375 L C 2.648 179.534 176.870 0.027 0.000 1.117 375 L CA 0.777 55.587 54.840 -0.050 0.000 0.782 375 L CB -1.074 40.895 42.059 -0.150 0.000 0.914 375 L HN 0.422 nan 8.230 nan 0.000 0.441 376 G N 0.245 109.100 108.800 0.092 0.000 2.507 376 G HA2 -0.350 3.653 3.960 0.072 0.000 0.221 376 G HA3 -0.350 3.653 3.960 0.072 0.000 0.221 376 G C 1.632 176.494 174.900 -0.062 0.000 1.119 376 G CA 1.463 46.582 45.100 0.033 0.000 0.751 376 G HN 0.489 nan 8.290 nan 0.000 0.574 377 T N -1.067 113.532 114.554 0.075 0.000 2.977 377 T HA -0.037 4.357 4.350 0.072 0.000 0.271 377 T C 2.008 176.742 174.700 0.056 0.000 1.105 377 T CA 1.726 63.872 62.100 0.078 0.000 1.116 377 T CB -0.115 68.823 68.868 0.117 0.000 0.878 377 T HN 0.681 nan 8.240 nan 0.000 0.509 378 V N -1.483 118.456 119.914 0.043 0.000 3.502 378 V HA 0.375 4.538 4.120 0.072 0.000 0.288 378 V C 1.969 178.083 176.094 0.034 0.000 1.461 378 V CA 0.475 62.806 62.300 0.052 0.000 1.029 378 V CB -0.108 31.759 31.823 0.074 0.000 0.843 378 V HN 0.590 nan 8.190 nan 0.000 0.438 379 T N -2.972 111.585 114.554 0.005 0.000 2.969 379 T HA 0.307 4.701 4.350 0.072 0.000 0.250 379 T C 0.605 175.247 174.700 -0.096 0.000 1.021 379 T CA 0.002 62.093 62.100 -0.015 0.000 1.003 379 T CB -0.096 68.787 68.868 0.024 0.000 1.040 379 T HN 0.396 nan 8.240 nan 0.000 0.492 380 N N 2.093 120.689 118.700 -0.173 0.000 2.466 380 N HA 0.588 5.371 4.740 0.072 0.000 0.294 380 N C -0.692 174.466 175.510 -0.588 0.000 1.129 380 N CA -0.512 52.305 53.050 -0.389 0.000 0.931 380 N CB 2.272 40.479 38.487 -0.466 0.000 1.193 380 N HN 0.379 nan 8.380 nan 0.000 0.500 381 V N -1.390 118.038 119.914 -0.810 0.000 2.769 381 V HA 0.807 4.971 4.120 0.072 0.000 0.312 381 V C -1.104 174.415 176.094 -0.958 0.000 1.061 381 V CA -0.684 61.230 62.300 -0.644 0.000 0.931 381 V CB 1.032 32.666 31.823 -0.315 0.000 1.010 381 V HN 0.434 nan 8.190 nan 0.000 0.433 382 F N 2.214 122.112 119.950 -0.086 0.000 2.613 382 F HA 0.667 5.228 4.527 0.057 0.000 0.310 382 F C 0.095 175.823 175.800 -0.119 0.000 1.085 382 F CA -0.932 57.025 58.000 -0.071 0.000 0.945 382 F CB 2.115 41.096 39.000 -0.031 0.000 1.298 382 F HN 0.697 nan 8.300 nan 0.000 0.455 383 V N 2.787 122.737 119.914 0.059 0.000 2.599 383 V HA 0.210 4.373 4.120 0.072 0.000 0.300 383 V C -1.864 174.238 176.094 0.012 0.000 1.034 383 V CA -0.698 61.576 62.300 -0.043 0.000 1.115 383 V CB 0.993 32.788 31.823 -0.045 0.000 0.934 383 V HN 0.700 nan 8.190 nan 0.000 0.485 384 P HA 0.233 nan 4.420 nan 0.000 0.226 384 P C 0.977 178.307 177.300 0.050 0.000 1.161 384 P CA 1.365 64.505 63.100 0.068 0.000 0.804 384 P CB -0.106 31.677 31.700 0.139 0.000 0.829 385 G N 0.364 109.183 108.800 0.031 0.000 2.601 385 G HA2 -0.281 3.723 3.960 0.072 0.000 0.252 385 G HA3 -0.281 3.723 3.960 0.072 0.000 0.252 385 G C 0.935 175.885 174.900 0.084 0.000 1.294 385 G CA 0.197 45.335 45.100 0.062 0.000 0.912 385 G HN 0.146 nan 8.290 nan 0.000 0.574 386 S N 0.190 115.948 115.700 0.097 0.000 2.547 386 S HA 0.005 4.519 4.470 0.072 0.000 0.235 386 S C 2.597 177.257 174.600 0.101 0.000 0.980 386 S CA 1.824 60.092 58.200 0.113 0.000 0.941 386 S CB -0.367 62.892 63.200 0.097 0.000 0.763 386 S HN 1.721 nan 8.310 nan 0.000 0.532 387 V N 0.594 120.566 119.914 0.097 0.000 2.720 387 V HA -0.066 4.098 4.120 0.072 0.000 0.256 387 V C 1.927 178.166 176.094 0.241 0.000 1.082 387 V CA 1.530 63.919 62.300 0.148 0.000 1.101 387 V CB -1.303 30.631 31.823 0.183 0.000 0.693 387 V HN 0.502 nan 8.190 nan 0.000 0.479 388 V N -2.610 117.359 119.914 0.092 0.000 3.623 388 V HA 0.183 4.346 4.120 0.072 0.000 0.271 388 V C 2.192 178.334 176.094 0.080 0.000 1.248 388 V CA 1.059 63.307 62.300 -0.086 0.000 1.156 388 V CB -1.019 30.604 31.823 -0.333 0.000 0.870 388 V HN 0.476 nan 8.190 nan 0.000 0.453 389 K N 1.256 121.766 120.400 0.184 0.000 2.211 389 K HA 0.125 4.489 4.320 0.072 0.000 0.203 389 K C 2.295 179.025 176.600 0.217 0.000 1.050 389 K CA 1.332 57.740 56.287 0.201 0.000 0.945 389 K CB -0.314 32.296 32.500 0.183 0.000 0.732 389 K HN 0.617 nan 8.250 nan 0.000 0.451 390 A N 1.150 124.155 122.820 0.308 0.000 2.015 390 A HA -0.055 4.308 4.320 0.072 0.000 0.219 390 A C 2.267 179.954 177.584 0.172 0.000 1.163 390 A CA 1.637 53.842 52.037 0.280 0.000 0.646 390 A CB -0.438 18.791 19.000 0.381 0.000 0.806 390 A HN 0.312 nan 8.150 nan 0.000 0.448 391 A N -1.064 121.843 122.820 0.144 0.000 1.930 391 A HA 0.016 4.379 4.320 0.072 0.000 0.215 391 A C 2.252 179.993 177.584 0.262 0.000 1.176 391 A CA 1.976 54.094 52.037 0.134 0.000 0.632 391 A CB -0.979 18.068 19.000 0.078 0.000 0.819 391 A HN 0.396 nan 8.150 nan 0.000 0.445 392 T N 0.641 115.361 114.554 0.277 0.000 2.708 392 T HA -0.094 4.299 4.350 0.072 0.000 0.266 392 T C 1.796 176.484 174.700 -0.020 0.000 1.037 392 T CA 1.531 63.693 62.100 0.104 0.000 1.146 392 T CB -0.429 68.526 68.868 0.146 0.000 0.865 392 T HN 0.425 nan 8.240 nan 0.000 0.435 393 I N 1.368 121.909 120.570 -0.050 0.000 2.208 393 I HA -0.200 4.014 4.170 0.072 0.000 0.245 393 I C 2.683 178.508 176.117 -0.488 0.000 1.097 393 I CA 0.976 62.093 61.300 -0.304 0.000 1.363 393 I CB -0.528 37.257 38.000 -0.359 0.000 1.051 393 I HN 0.189 nan 8.210 nan 0.000 0.413 394 S N 0.042 115.669 115.700 -0.121 0.000 2.387 394 S HA -0.234 4.279 4.470 0.072 0.000 0.230 394 S C 2.170 176.871 174.600 0.168 0.000 1.035 394 S CA 1.919 60.261 58.200 0.237 0.000 1.014 394 S CB -0.326 63.145 63.200 0.451 0.000 0.836 394 S HN 0.430 nan 8.310 nan 0.000 0.466 395 S N 0.507 116.235 115.700 0.046 0.000 2.406 395 S HA 0.022 4.536 4.470 0.072 0.000 0.228 395 S C 2.032 176.636 174.600 0.007 0.000 1.020 395 S CA 1.069 59.277 58.200 0.014 0.000 0.965 395 S CB -0.596 62.548 63.200 -0.093 0.000 0.798 395 S HN 0.621 nan 8.310 nan 0.000 0.488 396 G N 0.500 109.254 108.800 -0.076 0.000 2.418 396 G HA2 -0.184 3.819 3.960 0.072 0.000 0.217 396 G HA3 -0.184 3.819 3.960 0.072 0.000 0.217 396 G C 1.238 176.149 174.900 0.018 0.000 1.158 396 G CA 0.707 45.751 45.100 -0.094 0.000 0.771 396 G HN 0.500 nan 8.290 nan 0.000 0.545 397 W N 1.051 122.396 121.300 0.074 0.000 2.355 397 W HA 0.057 4.758 4.660 0.068 0.000 0.309 397 W C 2.506 179.052 176.519 0.046 0.000 1.206 397 W CA 1.019 58.401 57.345 0.062 0.000 1.284 397 W CB -0.835 28.666 29.460 0.069 0.000 1.145 397 W HN 0.399 nan 8.180 nan 0.000 0.502 398 E N -0.212 120.146 120.200 0.264 0.000 2.110 398 E HA -0.156 4.237 4.350 0.072 0.000 0.193 398 E C 1.313 177.980 176.600 0.112 0.000 0.988 398 E CA 0.935 57.431 56.400 0.160 0.000 0.804 398 E CB -0.320 29.453 29.700 0.123 0.000 0.745 398 E HN 0.195 nan 8.360 nan 0.000 0.458 399 N N -0.321 118.438 118.700 0.097 0.000 2.276 399 N HA 0.038 4.822 4.740 0.072 0.000 0.212 399 N C 0.513 176.066 175.510 0.072 0.000 1.127 399 N CA 0.702 53.794 53.050 0.069 0.000 0.834 399 N CB 1.385 39.902 38.487 0.051 0.000 1.014 399 N HN 0.225 nan 8.380 nan 0.000 0.491 400 G N 0.375 109.234 108.800 0.098 0.000 2.153 400 G HA2 -0.280 3.724 3.960 0.072 0.000 0.252 400 G HA3 -0.280 3.724 3.960 0.072 0.000 0.252 400 G C 0.914 175.864 174.900 0.084 0.000 0.994 400 G CA 0.525 45.681 45.100 0.094 0.000 0.698 400 G HN 0.273 nan 8.290 nan 0.000 0.521 401 V N -0.418 119.540 119.914 0.073 0.000 2.725 401 V HA 0.331 4.494 4.120 0.072 0.000 0.247 401 V C 1.459 177.577 176.094 0.041 0.000 1.058 401 V CA 1.568 63.893 62.300 0.041 0.000 1.080 401 V CB 0.014 31.844 31.823 0.012 0.000 0.713 401 V HN 0.392 nan 8.190 nan 0.000 0.465 402 L N -0.874 120.396 121.223 0.077 0.000 2.354 402 L HA 0.584 4.967 4.340 0.072 0.000 0.269 402 L C -0.389 176.673 176.870 0.319 0.000 1.005 402 L CA -0.111 54.801 54.840 0.120 0.000 0.819 402 L CB 2.056 44.087 42.059 -0.046 0.000 1.311 402 L HN -0.072 nan 8.230 nan 0.000 0.423 403 S N 0.613 116.497 115.700 0.306 0.000 2.659 403 S HA 0.711 5.224 4.470 0.072 0.000 0.312 403 S C 0.191 174.972 174.600 0.302 0.000 1.114 403 S CA 0.317 58.687 58.200 0.282 0.000 1.063 403 S CB 1.042 64.336 63.200 0.156 0.000 0.996 403 S HN 1.029 nan 8.310 nan 0.000 0.478 404 G N 4.712 113.672 108.800 0.266 0.000 2.564 404 G HA2 -0.307 3.697 3.960 0.072 0.000 0.273 404 G HA3 -0.307 3.697 3.960 0.072 0.000 0.273 404 G C 0.072 175.234 174.900 0.436 0.000 1.242 404 G CA 0.242 45.452 45.100 0.184 0.000 0.951 404 G HN 0.756 nan 8.290 nan 0.000 0.564 405 N N 1.353 120.216 118.700 0.272 0.000 3.254 405 N HA 0.226 5.009 4.740 0.072 0.000 0.308 405 N C 0.572 176.228 175.510 0.243 0.000 1.281 405 N CA 0.639 53.852 53.050 0.272 0.000 1.212 405 N CB -0.278 38.306 38.487 0.161 0.000 1.478 405 N HN 0.692 nan 8.380 nan 0.000 0.548 406 Q N 0.225 120.213 119.800 0.313 0.000 2.337 406 Q HA 0.072 4.456 4.340 0.072 0.000 0.270 406 Q C -0.536 175.636 176.000 0.286 0.000 1.002 406 Q CA 0.166 56.124 55.803 0.257 0.000 0.888 406 Q CB 0.538 29.416 28.738 0.232 0.000 1.222 406 Q HN 0.271 nan 8.270 nan 0.000 0.400 407 T N 5.005 119.680 114.554 0.201 0.000 2.832 407 T HA 0.423 4.817 4.350 0.072 0.000 0.296 407 T C -0.296 174.503 174.700 0.164 0.000 0.968 407 T CA -0.253 61.965 62.100 0.197 0.000 1.107 407 T CB 0.289 69.238 68.868 0.134 0.000 0.916 407 T HN 0.455 nan 8.240 nan 0.000 0.517 408 L N 1.836 123.175 121.223 0.192 0.000 2.309 408 L HA 0.506 4.890 4.340 0.072 0.000 0.261 408 L C 0.255 177.157 176.870 0.054 0.000 1.021 408 L CA -1.127 53.749 54.840 0.060 0.000 0.823 408 L CB 2.246 44.241 42.059 -0.106 0.000 1.366 408 L HN 0.495 nan 8.230 nan 0.000 0.423 409 T N 0.157 114.711 114.554 -0.001 0.000 2.749 409 T HA 0.082 4.476 4.350 0.072 0.000 0.295 409 T C -0.332 174.290 174.700 -0.131 0.000 0.936 409 T CA -0.260 61.815 62.100 -0.042 0.000 1.060 409 T CB 0.508 69.369 68.868 -0.012 0.000 0.904 409 T HN 0.350 nan 8.240 nan 0.000 0.500 410 D N 4.212 124.435 120.400 -0.295 0.000 2.339 410 D HA 0.118 4.801 4.640 0.072 0.000 0.256 410 D C -0.012 176.083 176.300 -0.342 0.000 1.214 410 D CA -0.002 53.748 54.000 -0.416 0.000 0.877 410 D CB 0.522 40.801 40.800 -0.869 0.000 1.111 410 D HN 0.671 nan 8.370 nan 0.000 0.478 411 Q N 2.094 121.766 119.800 -0.213 0.000 2.482 411 Q HA 0.551 4.934 4.340 0.072 0.000 0.286 411 Q C -2.999 172.882 176.000 -0.199 0.000 1.007 411 Q CA -2.030 53.690 55.803 -0.137 0.000 0.801 411 Q CB 1.420 30.112 28.738 -0.077 0.000 1.455 411 Q HN 0.054 nan 8.270 nan 0.000 0.398 412 P HA 0.119 nan 4.420 nan 0.000 0.267 412 P C -0.668 176.374 177.300 -0.430 0.000 1.205 412 P CA 0.017 62.883 63.100 -0.391 0.000 0.765 412 P CB 0.338 31.828 31.700 -0.350 0.000 0.828 413 I N 4.113 124.339 120.570 -0.573 0.000 2.312 413 I HA 0.161 4.374 4.170 0.072 0.000 0.291 413 I C -0.001 175.751 176.117 -0.607 0.000 1.031 413 I CA -0.479 60.384 61.300 -0.728 0.000 1.293 413 I CB 0.870 38.381 38.000 -0.816 0.000 1.403 413 I HN 0.038 nan 8.210 nan 0.000 0.484 414 V N 7.486 127.169 119.914 -0.385 0.000 2.349 414 V HA 0.381 4.544 4.120 0.072 0.000 0.284 414 V C -0.376 175.605 176.094 -0.189 0.000 1.014 414 V CA -0.593 61.561 62.300 -0.243 0.000 0.826 414 V CB 0.925 32.691 31.823 -0.094 0.000 1.009 414 V HN 0.311 nan 8.190 nan 0.000 0.431 415 F N 1.618 121.623 119.950 0.091 0.000 2.404 415 F HA 0.547 5.116 4.527 0.072 0.000 0.339 415 F C 0.644 176.415 175.800 -0.048 0.000 1.105 415 F CA -1.094 56.944 58.000 0.064 0.000 1.087 415 F CB 1.172 40.267 39.000 0.158 0.000 1.143 415 F HN 0.382 nan 8.300 nan 0.000 0.491 416 Q N 1.593 121.395 119.800 0.003 0.000 2.320 416 Q HA 0.322 4.705 4.340 0.072 0.000 0.311 416 Q C 0.883 176.853 176.000 -0.050 0.000 1.083 416 Q CA 1.368 57.042 55.803 -0.215 0.000 1.001 416 Q CB -0.032 28.255 28.738 -0.753 0.000 1.074 416 Q HN 0.920 nan 8.270 nan 0.000 0.379 417 G N 2.362 111.153 108.800 -0.015 0.000 2.131 417 G HA2 -0.192 3.812 3.960 0.072 0.000 0.223 417 G HA3 -0.192 3.812 3.960 0.072 0.000 0.223 417 G C -0.199 174.751 174.900 0.084 0.000 0.990 417 G CA 0.244 45.369 45.100 0.041 0.000 0.671 417 G HN 1.256 nan 8.290 nan 0.000 0.521 418 S N -1.486 114.277 115.700 0.105 0.000 2.625 418 S HA 0.914 5.427 4.470 0.072 0.000 0.271 418 S C 0.020 174.674 174.600 0.090 0.000 1.161 418 S CA 0.242 58.515 58.200 0.122 0.000 0.820 418 S CB 1.656 64.971 63.200 0.191 0.000 1.137 418 S HN 1.924 nan 8.310 nan 0.000 0.470 419 A N 1.157 124.026 122.820 0.082 0.000 2.386 419 A HA 0.720 5.084 4.320 0.072 0.000 0.248 419 A C -2.557 175.033 177.584 0.009 0.000 1.082 419 A CA -1.276 50.793 52.037 0.054 0.000 0.789 419 A CB -1.144 17.899 19.000 0.072 0.000 1.025 419 A HN 0.664 nan 8.150 nan 0.000 0.490 420 P HA 0.312 nan 4.420 nan 0.000 0.271 420 P C -0.803 176.281 177.300 -0.361 0.000 1.218 420 P CA 0.098 63.037 63.100 -0.268 0.000 0.780 420 P CB 0.401 31.875 31.700 -0.377 0.000 0.901 421 I N 2.961 123.267 120.570 -0.440 0.000 2.365 421 I HA 0.256 4.469 4.170 0.072 0.000 0.291 421 I C -0.066 175.697 176.117 -0.590 0.000 1.004 421 I CA -0.316 60.761 61.300 -0.373 0.000 1.311 421 I CB 0.323 38.178 38.000 -0.242 0.000 1.401 421 I HN 0.318 nan 8.210 nan 0.000 0.491 422 Y N 3.151 123.319 120.300 -0.220 0.000 2.659 422 Y HA 0.497 5.090 4.550 0.072 0.000 0.333 422 Y C 0.480 176.168 175.900 -0.354 0.000 1.064 422 Y CA -0.659 57.288 58.100 -0.255 0.000 1.141 422 Y CB 1.654 39.998 38.460 -0.194 0.000 1.316 422 Y HN 0.437 nan 8.280 nan 0.000 0.509 423 S N 0.587 116.110 115.700 -0.295 0.000 2.767 423 S HA 0.085 4.599 4.470 0.072 0.000 0.300 423 S C 0.787 175.113 174.600 -0.457 0.000 1.123 423 S CA -0.795 57.111 58.200 -0.489 0.000 0.992 423 S CB 0.480 63.147 63.200 -0.889 0.000 1.138 423 S HN 0.938 nan 8.310 nan 0.000 0.550 424 W N 1.523 122.611 121.300 -0.354 0.000 2.313 424 W HA -0.271 4.433 4.660 0.073 0.000 0.293 424 W C 1.057 177.511 176.519 -0.109 0.000 1.216 424 W CA 1.573 58.817 57.345 -0.168 0.000 1.223 424 W CB -1.237 28.191 29.460 -0.053 0.000 1.138 424 W HN 0.881 nan 8.180 nan 0.000 0.535 425 Y N 0.913 120.763 120.300 -0.750 0.000 2.529 425 Y HA 0.241 4.834 4.550 0.072 0.000 0.290 425 Y C 1.629 177.391 175.900 -0.230 0.000 1.177 425 Y CA -0.181 57.543 58.100 -0.626 0.000 1.305 425 Y CB -0.894 37.026 38.460 -0.900 0.000 1.047 425 Y HN -0.230 nan 8.280 nan 0.000 0.522 426 K N 0.528 120.772 120.400 -0.260 0.000 1.770 426 K HA -0.322 4.041 4.320 0.072 0.000 0.116 426 K C 0.791 177.369 176.600 -0.036 0.000 1.151 426 K CA 1.989 58.135 56.287 -0.235 0.000 0.383 426 K CB -1.597 30.685 32.500 -0.363 0.000 0.607 426 K HN 0.444 nan 8.250 nan 0.000 0.907 427 L N 1.531 122.689 121.223 -0.110 0.000 2.607 427 L HA 0.126 4.509 4.340 0.072 0.000 0.228 427 L C 2.340 179.220 176.870 0.018 0.000 1.123 427 L CA 0.572 55.419 54.840 0.012 0.000 0.890 427 L CB 0.006 42.044 42.059 -0.036 0.000 1.103 427 L HN 0.628 nan 8.230 nan 0.000 0.468 428 A N 0.070 122.885 122.820 -0.009 0.000 1.948 428 A HA -0.222 4.142 4.320 0.072 0.000 0.220 428 A C 1.443 178.800 177.584 -0.378 0.000 1.177 428 A CA 1.737 53.660 52.037 -0.191 0.000 0.636 428 A CB -0.596 18.271 19.000 -0.222 0.000 0.815 428 A HN 0.518 nan 8.150 nan 0.000 0.449 429 Y N -0.557 119.731 120.300 -0.020 0.000 2.681 429 Y HA 0.422 5.016 4.550 0.073 0.000 0.267 429 Y C 1.682 177.647 175.900 0.108 0.000 1.166 429 Y CA -0.254 57.804 58.100 -0.071 0.000 1.209 429 Y CB -0.300 37.946 38.460 -0.356 0.000 1.161 429 Y HN 0.520 nan 8.280 nan 0.000 0.534 430 G N 0.624 109.551 108.800 0.211 0.000 2.574 430 G HA2 -0.295 3.708 3.960 0.072 0.000 0.295 430 G HA3 -0.295 3.708 3.960 0.072 0.000 0.295 430 G C 0.002 175.109 174.900 0.344 0.000 1.300 430 G CA 0.068 45.298 45.100 0.217 0.000 0.944 430 G HN 0.291 nan 8.290 nan 0.000 0.551 431 S N 0.029 115.874 115.700 0.242 0.000 2.617 431 S HA 0.824 5.338 4.470 0.072 0.000 0.283 431 S C -0.353 174.403 174.600 0.261 0.000 1.189 431 S CA 0.512 58.796 58.200 0.140 0.000 1.036 431 S CB 1.072 64.303 63.200 0.052 0.000 1.014 431 S HN 1.441 nan 8.310 nan 0.000 0.522 432 F N -0.796 119.201 119.950 0.080 0.000 2.725 432 F HA 0.581 5.151 4.527 0.072 0.000 0.309 432 F C -3.312 172.539 175.800 0.084 0.000 1.132 432 F CA -2.238 55.805 58.000 0.072 0.000 0.957 432 F CB 0.473 39.508 39.000 0.058 0.000 1.286 432 F HN 0.277 nan 8.300 nan 0.000 0.440 433 P HA 0.418 nan 4.420 nan 0.000 0.275 433 P C -0.971 176.481 177.300 0.253 0.000 1.227 433 P CA 0.068 63.269 63.100 0.168 0.000 0.781 433 P CB 2.301 34.097 31.700 0.161 0.000 0.906 434 I N 1.584 122.258 120.570 0.174 0.000 2.644 434 I HA 0.242 4.455 4.170 0.072 0.000 0.291 434 I C 0.165 176.361 176.117 0.131 0.000 1.180 434 I CA -0.515 60.892 61.300 0.179 0.000 1.040 434 I CB 2.505 40.605 38.000 0.166 0.000 1.255 434 I HN 0.381 nan 8.210 nan 0.000 0.422 435 T N 3.095 117.666 114.554 0.027 0.000 2.810 435 T HA 0.505 4.899 4.350 0.072 0.000 0.277 435 T C 1.170 175.694 174.700 -0.293 0.000 0.973 435 T CA 0.114 62.214 62.100 0.000 0.000 0.949 435 T CB 1.617 70.495 68.868 0.016 0.000 1.075 435 T HN 0.653 nan 8.240 nan 0.000 0.537 436 A N 0.269 122.929 122.820 -0.266 0.000 1.902 436 A HA 0.041 4.404 4.320 0.072 0.000 0.217 436 A C 2.426 179.851 177.584 -0.266 0.000 1.181 436 A CA 1.552 53.295 52.037 -0.490 0.000 0.623 436 A CB -1.360 17.634 19.000 -0.011 0.000 0.818 436 A HN 0.708 nan 8.150 nan 0.000 0.443 437 V N 0.047 119.907 119.914 -0.090 0.000 2.332 437 V HA -0.308 3.855 4.120 0.072 0.000 0.248 437 V C 2.426 178.425 176.094 -0.158 0.000 1.055 437 V CA 2.501 64.777 62.300 -0.040 0.000 1.038 437 V CB -0.820 31.011 31.823 0.013 0.000 0.651 437 V HN 0.658 nan 8.190 nan 0.000 0.450 438 E N -0.160 119.870 120.200 -0.283 0.000 2.112 438 E HA -0.056 4.338 4.350 0.072 0.000 0.190 438 E C 2.346 178.588 176.600 -0.596 0.000 0.979 438 E CA 0.979 57.029 56.400 -0.584 0.000 0.814 438 E CB -0.380 28.990 29.700 -0.550 0.000 0.762 438 E HN 0.570 nan 8.360 nan 0.000 0.460 439 A N 1.197 123.764 122.820 -0.422 0.000 1.927 439 A HA -0.244 4.119 4.320 0.072 0.000 0.220 439 A C 2.148 179.657 177.584 -0.125 0.000 1.185 439 A CA 1.451 53.299 52.037 -0.315 0.000 0.639 439 A CB -0.743 17.801 19.000 -0.761 0.000 0.820 439 A HN 0.170 nan 8.150 nan 0.000 0.451 440 L N -1.474 119.681 121.223 -0.112 0.000 2.072 440 L HA -0.133 4.250 4.340 0.072 0.000 0.205 440 L C 2.643 179.533 176.870 0.033 0.000 1.079 440 L CA 1.515 56.370 54.840 0.026 0.000 0.752 440 L CB -0.521 41.618 42.059 0.134 0.000 0.906 440 L HN 0.552 nan 8.230 nan 0.000 0.436 441 E N -0.113 120.063 120.200 -0.041 0.000 2.070 441 E HA -0.250 4.143 4.350 0.072 0.000 0.197 441 E C 1.808 178.563 176.600 0.259 0.000 1.004 441 E CA 1.711 58.127 56.400 0.026 0.000 0.805 441 E CB 0.057 29.696 29.700 -0.103 0.000 0.744 441 E HN 0.454 nan 8.360 nan 0.000 0.451 442 Y N -0.627 119.773 120.300 0.167 0.000 2.478 442 Y HA 0.252 4.845 4.550 0.072 0.000 0.261 442 Y C 1.014 177.214 175.900 0.500 0.000 1.127 442 Y CA 0.302 58.590 58.100 0.313 0.000 1.288 442 Y CB 0.089 38.669 38.460 0.200 0.000 1.084 442 Y HN -0.124 nan 8.280 nan 0.000 0.530 443 S N 0.806 116.761 115.700 0.425 0.000 3.791 443 S HA -0.202 4.312 4.470 0.072 0.000 0.393 443 S C 0.263 175.074 174.600 0.351 0.000 0.936 443 S CA 0.464 58.860 58.200 0.327 0.000 1.234 443 S CB -1.389 61.983 63.200 0.288 0.000 0.891 443 S HN 0.477 nan 8.310 nan 0.000 0.519 444 S N 1.213 117.098 115.700 0.308 0.000 2.510 444 S HA 0.346 4.860 4.470 0.072 0.000 0.279 444 S C 1.297 175.955 174.600 0.096 0.000 1.284 444 S CA -0.252 58.090 58.200 0.237 0.000 1.059 444 S CB 0.481 63.839 63.200 0.264 0.000 0.901 444 S HN 0.620 nan 8.310 nan 0.000 0.491 445 N N 4.319 122.984 118.700 -0.057 0.000 2.250 445 N HA 0.027 4.810 4.740 0.072 0.000 0.181 445 N C 1.999 177.436 175.510 -0.122 0.000 1.017 445 N CA 1.288 54.231 53.050 -0.179 0.000 0.866 445 N CB -0.837 37.360 38.487 -0.484 0.000 0.985 445 N HN 0.746 nan 8.380 nan 0.000 0.429 446 A N 0.204 122.947 122.820 -0.128 0.000 1.948 446 A HA -0.221 4.142 4.320 0.072 0.000 0.220 446 A C 2.135 179.679 177.584 -0.066 0.000 1.177 446 A CA 1.217 53.165 52.037 -0.149 0.000 0.636 446 A CB -0.989 17.909 19.000 -0.169 0.000 0.815 446 A HN 0.397 nan 8.150 nan 0.000 0.449 447 Y N 0.684 120.936 120.300 -0.080 0.000 2.114 447 Y HA -0.204 4.389 4.550 0.071 0.000 0.284 447 Y C 2.613 178.486 175.900 -0.043 0.000 1.143 447 Y CA 2.409 60.477 58.100 -0.052 0.000 1.135 447 Y CB -0.141 38.306 38.460 -0.023 0.000 0.980 447 Y HN 0.212 nan 8.280 nan 0.000 0.499 448 V N -3.377 116.626 119.914 0.149 0.000 2.667 448 V HA -0.126 4.038 4.120 0.072 0.000 0.252 448 V C 1.910 178.015 176.094 0.017 0.000 1.065 448 V CA 1.431 63.784 62.300 0.089 0.000 1.083 448 V CB -1.187 30.729 31.823 0.156 0.000 0.692 448 V HN 0.218 nan 8.190 nan 0.000 0.468 449 V N 0.402 120.326 119.914 0.017 0.000 2.453 449 V HA -0.204 3.960 4.120 0.072 0.000 0.247 449 V C 2.782 178.868 176.094 -0.014 0.000 1.048 449 V CA 2.262 64.570 62.300 0.013 0.000 1.049 449 V CB -0.689 31.142 31.823 0.013 0.000 0.672 449 V HN 0.546 nan 8.190 nan 0.000 0.457 450 Q N -0.384 119.360 119.800 -0.094 0.000 2.079 450 Q HA -0.158 4.226 4.340 0.072 0.000 0.200 450 Q C 2.367 178.324 176.000 -0.071 0.000 0.974 450 Q CA 1.975 57.727 55.803 -0.085 0.000 0.840 450 Q CB -0.359 28.281 28.738 -0.163 0.000 0.898 450 Q HN 0.608 nan 8.270 nan 0.000 0.430 451 T N 1.000 115.463 114.554 -0.152 0.000 2.665 451 T HA -0.228 4.165 4.350 0.072 0.000 0.268 451 T C 1.881 176.562 174.700 -0.032 0.000 1.035 451 T CA 1.439 63.462 62.100 -0.129 0.000 1.151 451 T CB -0.303 68.469 68.868 -0.160 0.000 0.862 451 T HN 0.411 nan 8.240 nan 0.000 0.438 452 A N 0.873 123.673 122.820 -0.034 0.000 1.897 452 A HA 0.067 4.430 4.320 0.072 0.000 0.215 452 A C 2.205 179.935 177.584 0.243 0.000 1.181 452 A CA 0.919 52.947 52.037 -0.016 0.000 0.620 452 A CB -0.758 18.013 19.000 -0.381 0.000 0.821 452 A HN 0.349 nan 8.150 nan 0.000 0.443 453 L N 0.200 121.559 121.223 0.227 0.000 2.042 453 L HA -0.122 4.262 4.340 0.072 0.000 0.210 453 L C 2.529 179.533 176.870 0.224 0.000 1.076 453 L CA 2.031 57.062 54.840 0.319 0.000 0.749 453 L CB -1.088 41.172 42.059 0.335 0.000 0.893 453 L HN 0.377 nan 8.230 nan 0.000 0.432 454 G N -0.946 107.939 108.800 0.142 0.000 2.408 454 G HA2 -0.219 3.784 3.960 0.072 0.000 0.217 454 G HA3 -0.219 3.784 3.960 0.072 0.000 0.217 454 G C 1.643 176.600 174.900 0.095 0.000 1.150 454 G CA 0.852 46.009 45.100 0.095 0.000 0.776 454 G HN 0.447 nan 8.290 nan 0.000 0.542 455 I N 0.246 120.889 120.570 0.122 0.000 2.454 455 I HA -0.076 4.137 4.170 0.072 0.000 0.254 455 I C 2.503 178.679 176.117 0.098 0.000 1.156 455 I CA 0.846 62.215 61.300 0.115 0.000 1.433 455 I CB -0.062 38.030 38.000 0.153 0.000 1.082 455 I HN 0.194 nan 8.210 nan 0.000 0.432 456 M N 0.506 120.184 119.600 0.130 0.000 2.568 456 M HA 0.144 4.667 4.480 0.072 0.000 0.226 456 M C 1.112 177.432 176.300 0.033 0.000 1.148 456 M CA 0.526 55.844 55.300 0.029 0.000 1.007 456 M CB 0.068 32.689 32.600 0.035 0.000 1.651 456 M HN 0.331 nan 8.290 nan 0.000 0.488 457 G N 1.236 110.066 108.800 0.051 0.000 2.136 457 G HA2 -0.272 3.732 3.960 0.072 0.000 0.242 457 G HA3 -0.272 3.732 3.960 0.072 0.000 0.242 457 G C -0.208 174.722 174.900 0.049 0.000 0.989 457 G CA 0.327 45.450 45.100 0.039 0.000 0.682 457 G HN 0.539 nan 8.290 nan 0.000 0.522 458 Q N -0.570 119.277 119.800 0.079 0.000 2.416 458 Q HA 0.734 5.117 4.340 0.072 0.000 0.279 458 Q C -0.427 175.636 176.000 0.105 0.000 1.101 458 Q CA -0.399 55.458 55.803 0.089 0.000 0.830 458 Q CB 1.722 30.528 28.738 0.113 0.000 1.402 458 Q HN 0.225 nan 8.270 nan 0.000 0.445 459 T N 0.963 115.575 114.554 0.097 0.000 2.807 459 T HA 0.229 4.622 4.350 0.072 0.000 0.279 459 T C -1.210 173.576 174.700 0.144 0.000 0.993 459 T CA -0.505 61.659 62.100 0.106 0.000 0.970 459 T CB 0.405 69.309 68.868 0.061 0.000 0.950 459 T HN 0.435 nan 8.240 nan 0.000 0.441 460 Y N 4.582 124.919 120.300 0.062 0.000 2.717 460 Y HA 0.227 4.821 4.550 0.073 0.000 0.330 460 Y C 0.380 176.296 175.900 0.027 0.000 1.217 460 Y CA -0.033 58.104 58.100 0.062 0.000 1.506 460 Y CB 0.403 38.876 38.460 0.021 0.000 1.268 460 Y HN 0.535 nan 8.280 nan 0.000 0.561 461 Q N 7.323 126.688 119.800 -0.725 0.000 2.331 461 Q HA 0.506 4.890 4.340 0.072 0.000 0.272 461 Q C -3.322 172.030 176.000 -1.081 0.000 1.062 461 Q CA -2.541 52.797 55.803 -0.774 0.000 0.806 461 Q CB 2.059 30.616 28.738 -0.302 0.000 1.312 461 Q HN 0.384 nan 8.270 nan 0.000 0.431 462 P HA 0.043 nan 4.420 nan 0.000 0.268 462 P C -0.450 176.689 177.300 -0.268 0.000 1.208 462 P CA 0.290 63.096 63.100 -0.488 0.000 0.777 462 P CB 0.296 31.890 31.700 -0.176 0.000 0.875 463 N N -1.526 117.083 118.700 -0.152 0.000 2.753 463 N HA -0.186 4.597 4.740 0.072 0.000 0.251 463 N C 0.118 175.536 175.510 -0.153 0.000 1.097 463 N CA 0.888 53.856 53.050 -0.137 0.000 0.786 463 N CB -2.120 36.295 38.487 -0.120 0.000 1.137 463 N HN 0.579 nan 8.380 nan 0.000 0.566 464 M N -1.580 117.965 119.600 -0.092 0.000 2.239 464 M HA 0.271 4.794 4.480 0.072 0.000 0.348 464 M C -0.160 176.127 176.300 -0.021 0.000 1.239 464 M CA 0.232 55.526 55.300 -0.009 0.000 1.114 464 M CB 0.030 32.661 32.600 0.051 0.000 1.641 464 M HN -0.084 nan 8.290 nan 0.000 0.453 465 F N 2.648 122.606 119.950 0.014 0.000 2.472 465 F HA 0.316 4.886 4.527 0.072 0.000 0.364 465 F C 0.384 176.136 175.800 -0.080 0.000 1.090 465 F CA -0.264 57.724 58.000 -0.021 0.000 1.188 465 F CB 0.896 39.875 39.000 -0.036 0.000 1.105 465 F HN 0.457 nan 8.300 nan 0.000 0.536 466 V N 5.020 124.911 119.914 -0.037 0.000 2.488 466 V HA 0.529 4.693 4.120 0.072 0.000 0.277 466 V C 0.385 176.324 176.094 -0.258 0.000 1.046 466 V CA -0.293 61.833 62.300 -0.290 0.000 0.986 466 V CB 0.597 31.881 31.823 -0.899 0.000 0.989 466 V HN 0.800 nan 8.190 nan 0.000 0.475 467 G N 3.549 112.235 108.800 -0.190 0.000 2.320 467 G HA2 0.413 4.417 3.960 0.072 0.000 0.300 467 G HA3 0.413 4.417 3.960 0.072 0.000 0.300 467 G C 0.617 175.409 174.900 -0.181 0.000 1.126 467 G CA 0.271 45.284 45.100 -0.146 0.000 0.896 467 G HN 1.022 nan 8.290 nan 0.000 0.436 468 T N -0.546 113.908 114.554 -0.167 0.000 3.273 468 T HA 0.099 4.493 4.350 0.072 0.000 0.254 468 T C 1.977 176.621 174.700 -0.092 0.000 1.002 468 T CA 0.383 62.398 62.100 -0.142 0.000 0.913 468 T CB 0.067 68.862 68.868 -0.121 0.000 1.056 468 T HN 0.486 nan 8.240 nan 0.000 0.576 469 S N 1.721 117.372 115.700 -0.082 0.000 2.406 469 S HA -0.019 4.494 4.470 0.072 0.000 0.228 469 S C 1.379 175.943 174.600 -0.060 0.000 1.020 469 S CA 0.245 58.407 58.200 -0.062 0.000 0.965 469 S CB -0.398 62.771 63.200 -0.052 0.000 0.798 469 S HN 0.481 nan 8.310 nan 0.000 0.488 470 N N 1.160 119.817 118.700 -0.071 0.000 2.320 470 N HA 0.280 5.063 4.740 0.072 0.000 0.237 470 N C 0.801 176.230 175.510 -0.135 0.000 1.129 470 N CA -0.083 52.919 53.050 -0.080 0.000 0.854 470 N CB 0.639 39.087 38.487 -0.065 0.000 1.083 470 N HN 0.323 nan 8.380 nan 0.000 0.504 471 L N 0.979 122.127 121.223 -0.125 0.000 2.027 471 L HA -0.031 4.352 4.340 0.072 0.000 0.206 471 L C 1.804 178.605 176.870 -0.115 0.000 1.074 471 L CA 1.926 56.663 54.840 -0.172 0.000 0.745 471 L CB -0.237 41.796 42.059 -0.044 0.000 0.898 471 L HN 0.098 nan 8.230 nan 0.000 0.433 472 E N -0.951 119.250 120.200 0.001 0.000 2.051 472 E HA -0.222 4.171 4.350 0.072 0.000 0.192 472 E C 2.248 178.866 176.600 0.029 0.000 0.991 472 E CA 1.368 57.828 56.400 0.100 0.000 0.799 472 E CB -0.273 29.468 29.700 0.068 0.000 0.748 472 E HN 0.575 nan 8.360 nan 0.000 0.449 473 S N 0.457 116.143 115.700 -0.022 0.000 2.370 473 S HA -0.187 4.326 4.470 0.072 0.000 0.226 473 S C 2.080 176.647 174.600 -0.055 0.000 1.033 473 S CA 1.257 59.441 58.200 -0.027 0.000 1.011 473 S CB -0.145 63.038 63.200 -0.028 0.000 0.852 473 S HN 0.323 nan 8.310 nan 0.000 0.457 474 A N 1.356 124.089 122.820 -0.145 0.000 1.858 474 A HA -0.030 4.333 4.320 0.072 0.000 0.216 474 A C 2.237 179.772 177.584 -0.082 0.000 1.190 474 A CA 1.971 53.897 52.037 -0.186 0.000 0.617 474 A CB -0.898 17.800 19.000 -0.503 0.000 0.827 474 A HN 0.626 nan 8.150 nan 0.000 0.443 475 M N 0.612 120.090 119.600 -0.203 0.000 2.149 475 M HA -0.076 4.448 4.480 0.072 0.000 0.261 475 M C 1.908 178.201 176.300 -0.011 0.000 1.064 475 M CA 1.933 57.227 55.300 -0.011 0.000 1.102 475 M CB -0.907 31.533 32.600 -0.266 0.000 1.369 475 M HN 0.331 nan 8.290 nan 0.000 0.408 476 G N -0.279 108.520 108.800 -0.002 0.000 2.418 476 G HA2 -0.224 3.779 3.960 0.072 0.000 0.217 476 G HA3 -0.224 3.779 3.960 0.072 0.000 0.217 476 G C 1.649 176.554 174.900 0.009 0.000 1.158 476 G CA 1.016 46.127 45.100 0.020 0.000 0.771 476 G HN 0.513 nan 8.290 nan 0.000 0.545 477 K N -0.566 119.837 120.400 0.005 0.000 2.057 477 K HA 0.029 4.392 4.320 0.072 0.000 0.206 477 K C 2.374 178.945 176.600 -0.050 0.000 1.050 477 K CA 0.878 57.163 56.287 -0.003 0.000 0.935 477 K CB -0.292 32.216 32.500 0.012 0.000 0.715 477 K HN 0.255 nan 8.250 nan 0.000 0.439 478 L N 1.599 122.785 121.223 -0.062 0.000 2.017 478 L HA -0.163 4.220 4.340 0.072 0.000 0.208 478 L C 2.088 178.712 176.870 -0.410 0.000 1.073 478 L CA 1.686 56.359 54.840 -0.277 0.000 0.745 478 L CB -0.206 41.727 42.059 -0.211 0.000 0.894 478 L HN 0.005 nan 8.230 nan 0.000 0.432 479 R N -1.316 119.105 120.500 -0.132 0.000 2.148 479 R HA -0.092 4.292 4.340 0.072 0.000 0.223 479 R C 2.519 178.855 176.300 0.061 0.000 1.088 479 R CA 1.090 57.214 56.100 0.039 0.000 0.985 479 R CB -0.408 29.959 30.300 0.111 0.000 0.880 479 R HN 0.490 nan 8.270 nan 0.000 0.451 480 S N -0.132 115.575 115.700 0.011 0.000 2.368 480 S HA -0.126 4.387 4.470 0.072 0.000 0.224 480 S C 1.744 176.371 174.600 0.045 0.000 1.029 480 S CA 1.765 59.986 58.200 0.034 0.000 0.988 480 S CB -0.125 63.087 63.200 0.021 0.000 0.838 480 S HN 0.276 nan 8.310 nan 0.000 0.462 481 T N 1.925 116.481 114.554 0.003 0.000 2.708 481 T HA -0.013 4.381 4.350 0.072 0.000 0.266 481 T C 1.384 176.230 174.700 0.242 0.000 1.037 481 T CA 1.350 63.492 62.100 0.071 0.000 1.146 481 T CB -0.523 68.351 68.868 0.010 0.000 0.865 481 T HN 0.375 nan 8.240 nan 0.000 0.435 482 F N 1.829 121.847 119.950 0.113 0.000 2.120 482 F HA 0.001 4.573 4.527 0.074 0.000 0.300 482 F C 2.736 178.564 175.800 0.046 0.000 1.095 482 F CA 0.738 58.771 58.000 0.054 0.000 1.249 482 F CB -1.456 37.544 39.000 0.000 0.000 0.995 482 F HN 0.256 nan 8.300 nan 0.000 0.480 483 G N -0.711 108.227 108.800 0.231 0.000 2.470 483 G HA2 -0.205 3.798 3.960 0.072 0.000 0.220 483 G HA3 -0.205 3.798 3.960 0.072 0.000 0.220 483 G C 1.500 176.455 174.900 0.092 0.000 1.121 483 G CA 0.487 45.662 45.100 0.126 0.000 0.766 483 G HN 0.389 nan 8.290 nan 0.000 0.553 484 E N -0.869 119.380 120.200 0.082 0.000 2.338 484 E HA -0.047 4.347 4.350 0.072 0.000 0.197 484 E C 1.152 177.692 176.600 -0.101 0.000 1.007 484 E CA 0.459 56.836 56.400 -0.038 0.000 0.849 484 E CB -0.056 29.565 29.700 -0.132 0.000 0.774 484 E HN 0.644 nan 8.360 nan 0.000 0.506 485 Y N -0.822 119.538 120.300 0.100 0.000 2.458 485 Y HA 0.224 4.809 4.550 0.059 0.000 0.256 485 Y C 1.557 177.508 175.900 0.085 0.000 1.159 485 Y CA 0.400 58.587 58.100 0.145 0.000 1.261 485 Y CB 1.402 40.019 38.460 0.262 0.000 1.119 485 Y HN 0.085 nan 8.280 nan 0.000 0.524 486 G N 0.374 109.257 108.800 0.138 0.000 2.175 486 G HA2 -0.258 3.745 3.960 0.072 0.000 0.244 486 G HA3 -0.258 3.745 3.960 0.072 0.000 0.244 486 G C -0.063 174.793 174.900 -0.072 0.000 0.982 486 G CA -0.174 44.959 45.100 0.056 0.000 0.641 486 G HN 0.194 nan 8.290 nan 0.000 0.527 487 L N 0.724 121.829 121.223 -0.197 0.000 2.312 487 L HA 0.522 4.906 4.340 0.072 0.000 0.287 487 L C 1.572 178.198 176.870 -0.405 0.000 1.091 487 L CA 0.723 55.130 54.840 -0.722 0.000 0.846 487 L CB 0.563 41.929 42.059 -1.154 0.000 1.219 487 L HN 0.903 nan 8.230 nan 0.000 0.439 488 G N 1.769 110.495 108.800 -0.124 0.000 2.176 488 G HA2 -0.243 3.761 3.960 0.072 0.000 0.232 488 G HA3 -0.243 3.761 3.960 0.072 0.000 0.232 488 G C 0.112 175.076 174.900 0.106 0.000 0.986 488 G CA 0.122 45.330 45.100 0.179 0.000 0.643 488 G HN 0.687 nan 8.290 nan 0.000 0.522 489 S N -0.788 114.947 115.700 0.058 0.000 2.667 489 S HA 0.896 5.410 4.470 0.072 0.000 0.292 489 S C 0.259 174.887 174.600 0.047 0.000 1.126 489 S CA 0.213 58.446 58.200 0.056 0.000 0.881 489 S CB 1.933 65.164 63.200 0.052 0.000 1.132 489 S HN 1.907 nan 8.310 nan 0.000 0.492 490 A N 1.063 123.909 122.820 0.044 0.000 2.498 490 A HA 0.450 4.814 4.320 0.072 0.000 0.239 490 A C 1.455 179.066 177.584 0.045 0.000 1.068 490 A CA 0.223 52.286 52.037 0.043 0.000 0.766 490 A CB -0.463 18.559 19.000 0.036 0.000 1.003 490 A HN 1.322 nan 8.150 nan 0.000 0.497 491 T N -0.553 114.032 114.554 0.051 0.000 3.014 491 T HA 0.362 4.756 4.350 0.072 0.000 0.263 491 T C 1.469 176.205 174.700 0.059 0.000 1.078 491 T CA 1.177 63.312 62.100 0.057 0.000 1.135 491 T CB -0.082 68.825 68.868 0.065 0.000 0.895 491 T HN 2.397 nan 8.240 nan 0.000 0.480 492 G N 1.099 109.933 108.800 0.056 0.000 2.194 492 G HA2 -0.223 3.780 3.960 0.072 0.000 0.236 492 G HA3 -0.223 3.780 3.960 0.072 0.000 0.236 492 G C 0.091 175.038 174.900 0.078 0.000 0.987 492 G CA -0.106 45.030 45.100 0.060 0.000 0.635 492 G HN 0.804 nan 8.290 nan 0.000 0.520 493 I N 2.392 123.014 120.570 0.086 0.000 3.017 493 I HA 0.195 4.408 4.170 0.072 0.000 0.310 493 I C 0.792 176.979 176.117 0.118 0.000 1.220 493 I CA 0.579 61.943 61.300 0.108 0.000 1.450 493 I CB 0.559 38.620 38.000 0.102 0.000 1.317 493 I HN 0.319 nan 8.210 nan 0.000 0.570 494 D N 7.714 128.211 120.400 0.161 0.000 3.085 494 D HA 0.170 4.854 4.640 0.072 0.000 0.243 494 D C -0.431 175.984 176.300 0.191 0.000 1.232 494 D CA 0.117 54.221 54.000 0.174 0.000 0.913 494 D CB -0.574 40.397 40.800 0.284 0.000 1.108 494 D HN 0.363 nan 8.370 nan 0.000 0.468 495 L N -0.251 121.059 121.223 0.145 0.000 2.323 495 L HA 0.365 4.748 4.340 0.072 0.000 0.265 495 L C -1.501 175.422 176.870 0.089 0.000 1.012 495 L CA -2.372 52.563 54.840 0.160 0.000 0.820 495 L CB 2.426 44.614 42.059 0.215 0.000 1.334 495 L HN -0.258 nan 8.230 nan 0.000 0.427 496 P HA -0.048 nan 4.420 nan 0.000 0.219 496 P C -0.557 176.741 177.300 -0.002 0.000 1.150 496 P CA 1.082 64.179 63.100 -0.005 0.000 0.814 496 P CB 0.234 31.900 31.700 -0.057 0.000 0.787 497 D N -0.640 119.772 120.400 0.020 0.000 2.478 497 D HA 0.134 4.817 4.640 0.072 0.000 0.240 497 D C -0.982 175.355 176.300 0.062 0.000 1.364 497 D CA -0.545 53.469 54.000 0.023 0.000 0.987 497 D CB 1.001 41.795 40.800 -0.011 0.000 1.328 497 D HN 0.072 nan 8.370 nan 0.000 0.584 498 E N 1.048 121.281 120.200 0.056 0.000 2.212 498 E HA 0.597 4.991 4.350 0.072 0.000 0.270 498 E C -0.566 176.058 176.600 0.040 0.000 0.956 498 E CA -1.005 55.432 56.400 0.062 0.000 0.825 498 E CB 1.661 31.401 29.700 0.066 0.000 1.167 498 E HN 0.162 nan 8.360 nan 0.000 0.400 499 S N 0.545 116.263 115.700 0.031 0.000 2.580 499 S HA 0.086 4.599 4.470 0.072 0.000 0.274 499 S C 0.679 175.297 174.600 0.029 0.000 1.329 499 S CA 0.129 58.337 58.200 0.014 0.000 1.036 499 S CB 0.659 63.850 63.200 -0.016 0.000 0.919 499 S HN 0.665 nan 8.310 nan 0.000 0.515 500 T N 0.915 115.487 114.554 0.030 0.000 3.134 500 T HA 0.573 4.966 4.350 0.072 0.000 0.260 500 T C 0.884 175.629 174.700 0.075 0.000 1.027 500 T CA 0.316 62.448 62.100 0.053 0.000 0.913 500 T CB -0.613 68.284 68.868 0.049 0.000 1.046 500 T HN 1.561 nan 8.240 nan 0.000 0.553 501 G N 0.981 109.806 108.800 0.041 0.000 2.498 501 G HA2 0.050 4.054 3.960 0.072 0.000 0.651 501 G HA3 0.050 4.054 3.960 0.072 0.000 0.651 501 G C -1.398 173.472 174.900 -0.049 0.000 1.284 501 G CA -0.632 44.483 45.100 0.024 0.000 0.950 501 G HN 0.602 nan 8.290 nan 0.000 0.511 502 L N 0.689 121.836 121.223 -0.126 0.000 2.313 502 L HA 0.652 5.035 4.340 0.072 0.000 0.273 502 L C -0.300 176.455 176.870 -0.192 0.000 1.028 502 L CA -0.884 53.862 54.840 -0.157 0.000 0.871 502 L CB 1.019 42.952 42.059 -0.209 0.000 1.242 502 L HN 0.483 nan 8.230 nan 0.000 0.434 503 V N 5.666 125.518 119.914 -0.103 0.000 2.266 503 V HA 0.321 4.485 4.120 0.072 0.000 0.271 503 V C -2.057 174.026 176.094 -0.018 0.000 1.032 503 V CA -1.418 60.844 62.300 -0.063 0.000 0.806 503 V CB 0.949 32.797 31.823 0.041 0.000 1.052 503 V HN 0.646 nan 8.190 nan 0.000 0.449 504 P HA 0.236 nan 4.420 nan 0.000 0.267 504 P C 0.589 178.037 177.300 0.247 0.000 1.205 504 P CA -0.108 63.028 63.100 0.061 0.000 0.765 504 P CB 0.784 32.501 31.700 0.028 0.000 0.828 505 K N 1.049 121.571 120.400 0.202 0.000 2.365 505 K HA -0.004 4.359 4.320 0.072 0.000 0.197 505 K C 0.682 177.436 176.600 0.256 0.000 1.042 505 K CA 0.576 57.012 56.287 0.248 0.000 0.987 505 K CB 0.384 32.966 32.500 0.136 0.000 0.779 505 K HN 0.529 nan 8.250 nan 0.000 0.484 506 E N 0.576 120.896 120.200 0.199 0.000 2.166 506 E HA 0.212 4.605 4.350 0.072 0.000 0.275 506 E C -1.431 175.290 176.600 0.201 0.000 0.941 506 E CA -0.761 55.671 56.400 0.053 0.000 0.784 506 E CB 0.777 30.496 29.700 0.031 0.000 1.115 506 E HN 0.027 nan 8.360 nan 0.000 0.399 507 Y N 1.370 121.730 120.300 0.101 0.000 2.677 507 Y HA 0.447 5.042 4.550 0.074 0.000 0.334 507 Y C -1.135 174.761 175.900 -0.006 0.000 1.196 507 Y CA -1.373 56.767 58.100 0.067 0.000 1.059 507 Y CB 0.456 38.956 38.460 0.066 0.000 1.315 507 Y HN 0.521 nan 8.280 nan 0.000 0.455 508 N N 0.162 118.937 118.700 0.124 0.000 3.100 508 N HA 0.331 5.114 4.740 0.072 0.000 0.344 508 N C -0.001 175.604 175.510 0.158 0.000 1.413 508 N CA -0.790 52.319 53.050 0.098 0.000 0.752 508 N CB 0.304 38.827 38.487 0.060 0.000 1.519 508 N HN 0.708 nan 8.380 nan 0.000 0.620 509 F N 0.188 120.140 119.950 0.004 0.000 2.134 509 F HA 0.106 4.678 4.527 0.074 0.000 0.299 509 F C 2.168 177.966 175.800 -0.003 0.000 1.097 509 F CA 1.940 59.943 58.000 0.005 0.000 1.264 509 F CB -0.718 38.241 39.000 -0.068 0.000 1.001 509 F HN 0.573 nan 8.300 nan 0.000 0.479 510 A N 0.669 123.405 122.820 -0.140 0.000 1.940 510 A HA -0.233 4.131 4.320 0.072 0.000 0.219 510 A C 2.040 179.415 177.584 -0.349 0.000 1.176 510 A CA 1.955 53.841 52.037 -0.251 0.000 0.631 510 A CB -0.953 18.018 19.000 -0.049 0.000 0.814 510 A HN 0.543 nan 8.150 nan 0.000 0.446 511 N N -0.860 117.606 118.700 -0.390 0.000 2.120 511 N HA -0.141 4.643 4.740 0.072 0.000 0.188 511 N C 1.435 176.524 175.510 -0.703 0.000 1.024 511 N CA 1.575 54.133 53.050 -0.821 0.000 0.852 511 N CB -0.661 37.050 38.487 -1.293 0.000 1.003 511 N HN 0.587 nan 8.380 nan 0.000 0.424 512 F N 1.935 121.547 119.950 -0.563 0.000 2.102 512 F HA -0.094 4.476 4.527 0.071 0.000 0.298 512 F C 1.971 177.520 175.800 -0.417 0.000 1.105 512 F CA 1.031 58.771 58.000 -0.433 0.000 1.239 512 F CB -0.197 38.623 39.000 -0.299 0.000 0.991 512 F HN -0.138 nan 8.300 nan 0.000 0.474 513 I N 1.085 121.268 120.570 -0.646 0.000 2.226 513 I HA -0.250 3.963 4.170 0.072 0.000 0.245 513 I C 2.672 178.433 176.117 -0.594 0.000 1.100 513 I CA 2.052 62.976 61.300 -0.627 0.000 1.374 513 I CB -1.980 35.716 38.000 -0.507 0.000 1.057 513 I HN 0.374 nan 8.210 nan 0.000 0.413 514 T N -1.390 112.776 114.554 -0.647 0.000 2.867 514 T HA -0.131 4.262 4.350 0.072 0.000 0.268 514 T C 1.766 175.991 174.700 -0.793 0.000 1.057 514 T CA 1.279 62.776 62.100 -1.005 0.000 1.136 514 T CB -0.511 68.032 68.868 -0.541 0.000 0.874 514 T HN 0.109 nan 8.240 nan 0.000 0.466 515 N N 2.265 120.707 118.700 -0.430 0.000 2.149 515 N HA 0.026 4.809 4.740 0.072 0.000 0.188 515 N C 2.100 177.556 175.510 -0.088 0.000 1.019 515 N CA 1.477 54.444 53.050 -0.138 0.000 0.857 515 N CB -0.802 37.690 38.487 0.007 0.000 0.997 515 N HN 0.581 nan 8.380 nan 0.000 0.426 516 A N -0.070 122.588 122.820 -0.269 0.000 2.032 516 A HA -0.126 4.237 4.320 0.072 0.000 0.221 516 A C 1.314 178.945 177.584 0.079 0.000 1.165 516 A CA 1.418 53.400 52.037 -0.092 0.000 0.645 516 A CB -0.918 17.948 19.000 -0.225 0.000 0.807 516 A HN 0.525 nan 8.150 nan 0.000 0.453 517 F N -3.355 116.600 119.950 0.008 0.000 2.708 517 F HA 0.562 5.133 4.527 0.073 0.000 0.300 517 F C 0.974 176.785 175.800 0.019 0.000 1.118 517 F CA -0.255 57.759 58.000 0.023 0.000 1.307 517 F CB -0.336 38.671 39.000 0.012 0.000 0.986 517 F HN 0.249 nan 8.300 nan 0.000 0.522 518 G N 0.985 109.756 108.800 -0.048 0.000 2.160 518 G HA2 -0.240 3.763 3.960 0.072 0.000 0.244 518 G HA3 -0.240 3.763 3.960 0.072 0.000 0.244 518 G C 0.227 175.085 174.900 -0.070 0.000 1.022 518 G CA 0.104 45.172 45.100 -0.052 0.000 0.741 518 G HN 0.417 nan 8.290 nan 0.000 0.508 519 Q N -1.399 118.301 119.800 -0.166 0.000 2.263 519 Q HA 0.540 4.923 4.340 0.072 0.000 0.337 519 Q C 0.350 176.345 176.000 -0.007 0.000 0.906 519 Q CA -0.301 55.446 55.803 -0.094 0.000 1.124 519 Q CB 0.229 28.920 28.738 -0.078 0.000 1.255 519 Q HN 0.597 nan 8.270 nan 0.000 0.435 520 F N -0.155 119.661 119.950 -0.224 0.000 1.855 520 F HA 0.227 4.799 4.527 0.074 0.000 0.228 520 F C -0.526 175.147 175.800 -0.212 0.000 1.236 520 F CA -0.176 57.714 58.000 -0.183 0.000 1.308 520 F CB 0.324 39.223 39.000 -0.168 0.000 1.877 520 F HN -0.127 nan 8.300 nan 0.000 0.272 521 D N 2.457 122.675 120.400 -0.302 0.000 2.455 521 D HA 0.110 4.794 4.640 0.072 0.000 0.241 521 D C -0.607 175.224 176.300 -0.782 0.000 1.138 521 D CA 0.409 54.095 54.000 -0.523 0.000 0.877 521 D CB 0.177 40.794 40.800 -0.305 0.000 1.187 521 D HN 0.282 nan 8.370 nan 0.000 0.451 522 N N 1.533 119.822 118.700 -0.686 0.000 2.430 522 N HA 0.270 5.054 4.740 0.072 0.000 0.292 522 N C -0.898 174.285 175.510 -0.545 0.000 1.051 522 N CA -0.478 52.227 53.050 -0.574 0.000 0.917 522 N CB 1.065 39.352 38.487 -0.334 0.000 1.164 522 N HN 0.253 nan 8.380 nan 0.000 0.484 523 Y N -0.404 119.861 120.300 -0.058 0.000 2.598 523 Y HA 0.300 4.898 4.550 0.080 0.000 0.340 523 Y C 0.994 176.909 175.900 0.025 0.000 1.038 523 Y CA -1.084 56.996 58.100 -0.033 0.000 1.100 523 Y CB 0.937 39.373 38.460 -0.040 0.000 1.281 523 Y HN 0.385 nan 8.280 nan 0.000 0.488 524 T N -2.041 112.636 114.554 0.204 0.000 2.899 524 T HA 0.278 4.671 4.350 0.072 0.000 0.284 524 T C -2.201 172.620 174.700 0.202 0.000 1.004 524 T CA -1.990 60.208 62.100 0.163 0.000 1.043 524 T CB 1.542 70.461 68.868 0.085 0.000 1.013 524 T HN 0.292 nan 8.240 nan 0.000 0.518 525 P HA -0.097 nan 4.420 nan 0.000 0.216 525 P C 1.628 179.001 177.300 0.122 0.000 1.150 525 P CA 0.771 63.960 63.100 0.147 0.000 0.837 525 P CB -0.075 31.701 31.700 0.126 0.000 0.786 526 M N -0.464 119.199 119.600 0.105 0.000 2.117 526 M HA -0.195 4.329 4.480 0.072 0.000 0.262 526 M C 2.021 178.377 176.300 0.093 0.000 1.065 526 M CA 1.856 57.210 55.300 0.090 0.000 1.114 526 M CB -1.204 31.444 32.600 0.079 0.000 1.361 526 M HN -0.128 nan 8.290 nan 0.000 0.408 527 Q N -0.480 119.376 119.800 0.092 0.000 2.096 527 Q HA -0.178 4.206 4.340 0.072 0.000 0.204 527 Q C 2.061 178.113 176.000 0.087 0.000 0.982 527 Q CA 1.877 57.720 55.803 0.066 0.000 0.850 527 Q CB -0.385 28.371 28.738 0.030 0.000 0.901 527 Q HN 0.511 nan 8.270 nan 0.000 0.422 528 L N -0.232 121.065 121.223 0.124 0.000 2.141 528 L HA -0.120 4.264 4.340 0.072 0.000 0.209 528 L C 2.370 179.367 176.870 0.212 0.000 1.094 528 L CA 0.762 55.716 54.840 0.190 0.000 0.763 528 L CB -0.407 41.768 42.059 0.194 0.000 0.908 528 L HN 0.192 nan 8.230 nan 0.000 0.437 529 A N -0.555 122.351 122.820 0.143 0.000 1.968 529 A HA -0.227 4.136 4.320 0.072 0.000 0.217 529 A C 2.278 179.922 177.584 0.101 0.000 1.169 529 A CA 1.438 53.540 52.037 0.109 0.000 0.638 529 A CB -0.392 18.654 19.000 0.078 0.000 0.812 529 A HN 0.481 nan 8.150 nan 0.000 0.446 530 Q N -1.745 118.126 119.800 0.119 0.000 2.172 530 Q HA -0.192 4.191 4.340 0.072 0.000 0.200 530 Q C 1.864 177.969 176.000 0.175 0.000 0.964 530 Q CA 1.585 57.456 55.803 0.113 0.000 0.855 530 Q CB -0.345 28.454 28.738 0.103 0.000 0.918 530 Q HN 0.749 nan 8.270 nan 0.000 0.444 531 Y N 0.369 120.720 120.300 0.085 0.000 2.097 531 Y HA -0.237 4.345 4.550 0.053 0.000 0.282 531 Y C 2.008 177.994 175.900 0.144 0.000 1.152 531 Y CA 1.816 59.995 58.100 0.132 0.000 1.136 531 Y CB -0.826 37.651 38.460 0.027 0.000 0.975 531 Y HN 0.026 nan 8.280 nan 0.000 0.498 532 V N 1.027 120.808 119.914 -0.222 0.000 2.548 532 V HA -0.107 4.056 4.120 0.072 0.000 0.249 532 V C 2.378 178.398 176.094 -0.122 0.000 1.055 532 V CA 1.835 63.979 62.300 -0.260 0.000 1.065 532 V CB -1.141 30.665 31.823 -0.030 0.000 0.681 532 V HN 0.620 nan 8.190 nan 0.000 0.462 533 A N -0.504 122.290 122.820 -0.044 0.000 1.933 533 A HA -0.180 4.184 4.320 0.072 0.000 0.218 533 A C 2.310 179.853 177.584 -0.068 0.000 1.175 533 A CA 2.421 54.423 52.037 -0.058 0.000 0.628 533 A CB -1.068 17.924 19.000 -0.014 0.000 0.814 533 A HN 0.556 nan 8.150 nan 0.000 0.444 534 T N 0.417 114.974 114.554 0.005 0.000 2.720 534 T HA -0.122 4.271 4.350 0.072 0.000 0.268 534 T C 1.769 176.473 174.700 0.008 0.000 1.037 534 T CA 1.588 63.710 62.100 0.036 0.000 1.144 534 T CB -0.406 68.549 68.868 0.144 0.000 0.864 534 T HN 0.448 nan 8.240 nan 0.000 0.444 535 I N 1.232 121.783 120.570 -0.031 0.000 2.252 535 I HA -0.125 4.088 4.170 0.072 0.000 0.245 535 I C 2.846 178.827 176.117 -0.226 0.000 1.102 535 I CA 1.010 62.261 61.300 -0.081 0.000 1.385 535 I CB -0.392 37.442 38.000 -0.278 0.000 1.064 535 I HN 0.188 nan 8.210 nan 0.000 0.414 536 A N 0.177 122.668 122.820 -0.549 0.000 2.067 536 A HA -0.168 4.195 4.320 0.072 0.000 0.219 536 A C 1.677 179.054 177.584 -0.344 0.000 1.158 536 A CA 1.452 52.986 52.037 -0.838 0.000 0.661 536 A CB -0.588 17.858 19.000 -0.923 0.000 0.801 536 A HN 0.425 nan 8.150 nan 0.000 0.452 537 N N 0.851 119.446 118.700 -0.176 0.000 2.376 537 N HA 0.039 4.823 4.740 0.072 0.000 0.249 537 N C -0.387 175.097 175.510 -0.044 0.000 1.140 537 N CA -0.133 52.866 53.050 -0.085 0.000 0.870 537 N CB -0.599 37.853 38.487 -0.058 0.000 1.124 537 N HN 0.266 nan 8.380 nan 0.000 0.505 538 N N 0.368 119.061 118.700 -0.012 0.000 2.716 538 N HA -0.217 4.566 4.740 0.072 0.000 0.250 538 N C 0.809 176.290 175.510 -0.048 0.000 1.033 538 N CA 1.379 54.419 53.050 -0.017 0.000 0.727 538 N CB -1.374 37.099 38.487 -0.023 0.000 0.950 538 N HN 0.626 nan 8.380 nan 0.000 0.541 539 G N -2.917 105.862 108.800 -0.034 0.000 2.194 539 G HA2 -0.298 3.705 3.960 0.072 0.000 0.236 539 G HA3 -0.298 3.705 3.960 0.072 0.000 0.236 539 G C -0.050 174.801 174.900 -0.081 0.000 0.987 539 G CA 0.124 45.185 45.100 -0.065 0.000 0.635 539 G HN 0.434 nan 8.290 nan 0.000 0.520 540 V N 2.302 122.184 119.914 -0.054 0.000 2.334 540 V HA 0.444 4.607 4.120 0.072 0.000 0.267 540 V C 0.956 177.032 176.094 -0.031 0.000 1.040 540 V CA -0.490 61.784 62.300 -0.044 0.000 0.866 540 V CB 1.077 32.882 31.823 -0.030 0.000 1.019 540 V HN 0.441 nan 8.190 nan 0.000 0.468 541 R N 5.490 125.969 120.500 -0.034 0.000 2.298 541 R HA 0.498 4.882 4.340 0.072 0.000 0.310 541 R C -0.975 175.331 176.300 0.010 0.000 1.068 541 R CA -0.332 55.763 56.100 -0.009 0.000 0.957 541 R CB 0.466 30.756 30.300 -0.018 0.000 1.003 541 R HN 0.642 nan 8.270 nan 0.000 0.454 542 L N 3.529 124.768 121.223 0.027 0.000 2.325 542 L HA 0.515 4.899 4.340 0.072 0.000 0.278 542 L C 0.163 177.072 176.870 0.065 0.000 1.023 542 L CA -1.177 53.690 54.840 0.044 0.000 0.811 542 L CB 1.854 43.941 42.059 0.048 0.000 1.249 542 L HN 0.728 nan 8.230 nan 0.000 0.431 543 A N 4.097 126.966 122.820 0.081 0.000 2.450 543 A HA 0.516 4.879 4.320 0.072 0.000 0.255 543 A C -2.345 175.328 177.584 0.149 0.000 1.096 543 A CA -1.023 51.074 52.037 0.101 0.000 0.778 543 A CB -0.411 18.645 19.000 0.094 0.000 1.031 543 A HN 0.369 nan 8.150 nan 0.000 0.494 544 P HA 0.420 nan 4.420 nan 0.000 0.279 544 P C -1.034 176.364 177.300 0.165 0.000 1.239 544 P CA 0.185 63.341 63.100 0.093 0.000 0.789 544 P CB 0.671 32.406 31.700 0.060 0.000 0.933 545 H N -0.506 118.608 119.070 0.072 0.000 2.771 545 H HA 0.529 5.124 4.556 0.066 0.000 0.361 545 H C 0.063 175.443 175.328 0.086 0.000 1.108 545 H CA -0.882 55.223 56.048 0.096 0.000 1.201 545 H CB 0.802 30.630 29.762 0.109 0.000 1.681 545 H HN 0.101 nan 8.280 nan 0.000 0.534 546 I N 1.906 122.561 120.570 0.143 0.000 2.852 546 I HA 0.027 4.241 4.170 0.072 0.000 0.264 546 I C 0.037 176.205 176.117 0.085 0.000 1.179 546 I CA 0.170 61.514 61.300 0.074 0.000 1.480 546 I CB 0.531 38.584 38.000 0.087 0.000 1.111 546 I HN 0.360 nan 8.210 nan 0.000 0.441 547 V N 2.503 122.505 119.914 0.146 0.000 2.461 547 V HA 0.033 4.197 4.120 0.072 0.000 0.275 547 V C 1.312 177.563 176.094 0.262 0.000 1.047 547 V CA 0.029 62.372 62.300 0.072 0.000 0.955 547 V CB 1.492 33.187 31.823 -0.213 0.000 0.988 547 V HN 0.265 nan 8.190 nan 0.000 0.471 548 E N 3.341 123.661 120.200 0.200 0.000 2.190 548 E HA 0.164 4.557 4.350 0.072 0.000 0.191 548 E C 0.581 177.315 176.600 0.224 0.000 0.978 548 E CA 1.001 57.551 56.400 0.250 0.000 0.839 548 E CB 1.008 30.826 29.700 0.197 0.000 0.787 548 E HN 0.845 nan 8.360 nan 0.000 0.473 549 G N 0.206 109.157 108.800 0.253 0.000 2.547 549 G HA2 0.422 4.426 3.960 0.072 0.000 0.291 549 G HA3 0.422 4.426 3.960 0.072 0.000 0.291 549 G C -1.414 173.633 174.900 0.245 0.000 1.471 549 G CA -0.761 44.459 45.100 0.200 0.000 0.798 549 G HN 0.038 nan 8.290 nan 0.000 0.504 550 I N 0.688 121.255 120.570 -0.005 0.000 2.354 550 I HA 0.447 4.660 4.170 0.072 0.000 0.292 550 I C -1.029 175.016 176.117 -0.120 0.000 0.989 550 I CA -0.691 60.647 61.300 0.063 0.000 1.188 550 I CB 1.616 39.641 38.000 0.043 0.000 1.342 550 I HN 0.423 nan 8.210 nan 0.000 0.457 551 Y N 3.528 123.835 120.300 0.013 0.000 2.462 551 Y HA 0.296 4.888 4.550 0.069 0.000 0.346 551 Y C 0.239 176.136 175.900 -0.004 0.000 0.976 551 Y CA -0.830 57.265 58.100 -0.008 0.000 1.044 551 Y CB 1.705 40.141 38.460 -0.040 0.000 1.230 551 Y HN 0.482 nan 8.280 nan 0.000 0.455 552 D N 0.944 121.404 120.400 0.101 0.000 2.414 552 D HA 0.110 4.794 4.640 0.072 0.000 0.251 552 D C -0.897 175.442 176.300 0.066 0.000 1.252 552 D CA -0.004 54.033 54.000 0.062 0.000 0.999 552 D CB 0.652 41.468 40.800 0.027 0.000 1.093 552 D HN 0.637 nan 8.370 nan 0.000 0.515 553 N N 0.456 119.182 118.700 0.043 0.000 2.430 553 N HA 0.206 4.989 4.740 0.072 0.000 0.292 553 N C -0.220 175.302 175.510 0.021 0.000 1.051 553 N CA -0.783 52.286 53.050 0.032 0.000 0.917 553 N CB 0.949 39.456 38.487 0.034 0.000 1.164 553 N HN 0.357 nan 8.380 nan 0.000 0.484 554 N N 0.516 119.222 118.700 0.010 0.000 2.328 554 N HA 0.067 4.850 4.740 0.072 0.000 0.277 554 N C 0.125 175.645 175.510 0.017 0.000 1.286 554 N CA -0.056 53.000 53.050 0.009 0.000 0.949 554 N CB 0.349 38.834 38.487 -0.002 0.000 1.136 554 N HN 0.357 nan 8.380 nan 0.000 0.550 555 D N -0.826 119.584 120.400 0.016 0.000 2.178 555 D HA -0.070 4.614 4.640 0.072 0.000 0.202 555 D C 1.167 177.485 176.300 0.029 0.000 0.974 555 D CA 1.009 55.022 54.000 0.022 0.000 0.841 555 D CB 0.035 40.846 40.800 0.018 0.000 0.953 555 D HN 0.541 nan 8.370 nan 0.000 0.478 556 K N -0.501 119.916 120.400 0.028 0.000 2.211 556 K HA -0.050 4.313 4.320 0.072 0.000 0.203 556 K C 1.258 177.888 176.600 0.049 0.000 1.050 556 K CA 0.943 57.252 56.287 0.037 0.000 0.945 556 K CB 0.212 32.733 32.500 0.034 0.000 0.732 556 K HN 0.200 nan 8.250 nan 0.000 0.451 557 G N -0.172 108.655 108.800 0.045 0.000 2.163 557 G HA2 -0.173 3.830 3.960 0.072 0.000 0.213 557 G HA3 -0.173 3.830 3.960 0.072 0.000 0.213 557 G C 0.265 175.207 174.900 0.069 0.000 0.991 557 G CA -0.184 44.949 45.100 0.055 0.000 0.653 557 G HN 0.536 nan 8.290 nan 0.000 0.518 558 G N -0.910 107.924 108.800 0.057 0.000 2.606 558 G HA2 0.606 4.609 3.960 0.072 0.000 0.262 558 G HA3 0.606 4.609 3.960 0.072 0.000 0.262 558 G C 0.338 175.201 174.900 -0.062 0.000 1.394 558 G CA -0.826 44.314 45.100 0.067 0.000 1.044 558 G HN 0.688 nan 8.290 nan 0.000 0.553 559 L N 1.429 122.456 121.223 -0.327 0.000 2.660 559 L HA 0.216 4.599 4.340 0.072 0.000 0.272 559 L C 1.192 177.935 176.870 -0.211 0.000 1.194 559 L CA 0.390 54.910 54.840 -0.534 0.000 0.945 559 L CB -0.109 41.389 42.059 -0.935 0.000 1.212 559 L HN 0.642 nan 8.230 nan 0.000 0.490 560 G N 3.919 112.670 108.800 -0.081 0.000 3.099 560 G HA2 0.232 4.236 3.960 0.072 0.000 0.151 560 G HA3 0.232 4.236 3.960 0.072 0.000 0.151 560 G C -0.786 174.174 174.900 0.100 0.000 1.265 560 G CA -0.349 44.755 45.100 0.007 0.000 0.981 560 G HN 0.578 nan 8.290 nan 0.000 0.601 561 E N -0.775 119.478 120.200 0.088 0.000 2.277 561 E HA 0.437 4.830 4.350 0.072 0.000 0.274 561 E C -0.274 176.335 176.600 0.014 0.000 1.022 561 E CA -0.733 55.716 56.400 0.082 0.000 0.853 561 E CB 1.337 31.051 29.700 0.024 0.000 1.086 561 E HN 0.307 nan 8.360 nan 0.000 0.397 562 L N 4.714 125.867 121.223 -0.116 0.000 2.525 562 L HA 0.041 4.425 4.340 0.072 0.000 0.278 562 L C 0.014 176.712 176.870 -0.286 0.000 1.218 562 L CA 1.032 55.560 54.840 -0.519 0.000 0.878 562 L CB 0.321 42.100 42.059 -0.466 0.000 1.127 562 L HN 0.819 nan 8.230 nan 0.000 0.492 563 I N 1.425 121.810 120.570 -0.308 0.000 3.443 563 I HA 0.206 4.420 4.170 0.072 0.000 0.277 563 I C -0.115 175.913 176.117 -0.148 0.000 1.169 563 I CA 0.039 61.244 61.300 -0.158 0.000 1.419 563 I CB 0.272 38.214 38.000 -0.096 0.000 1.331 563 I HN 0.654 nan 8.210 nan 0.000 0.458 564 Q N 1.195 120.883 119.800 -0.186 0.000 2.371 564 Q HA 0.549 4.933 4.340 0.072 0.000 0.244 564 Q C -1.014 174.916 176.000 -0.116 0.000 0.882 564 Q CA -0.301 55.434 55.803 -0.114 0.000 0.866 564 Q CB 1.699 30.405 28.738 -0.054 0.000 1.399 564 Q HN 0.298 nan 8.270 nan 0.000 0.432 565 A N 4.557 127.320 122.820 -0.096 0.000 2.445 565 A HA 0.415 4.778 4.320 0.072 0.000 0.242 565 A C -0.073 177.495 177.584 -0.028 0.000 1.075 565 A CA -0.225 51.785 52.037 -0.045 0.000 0.777 565 A CB 0.185 19.171 19.000 -0.024 0.000 1.013 565 A HN 0.729 nan 8.150 nan 0.000 0.493 566 I N 2.839 123.397 120.570 -0.019 0.000 2.436 566 I HA 0.081 4.294 4.170 0.072 0.000 0.289 566 I C -0.191 175.813 176.117 -0.189 0.000 1.083 566 I CA -0.089 61.147 61.300 -0.106 0.000 1.372 566 I CB 0.023 37.934 38.000 -0.148 0.000 1.408 566 I HN 0.541 nan 8.210 nan 0.000 0.516 567 D N 4.831 125.144 120.400 -0.144 0.000 2.304 567 D HA 0.136 4.819 4.640 0.072 0.000 0.247 567 D C 0.328 176.550 176.300 -0.130 0.000 1.089 567 D CA -0.144 53.796 54.000 -0.099 0.000 0.910 567 D CB 0.811 41.579 40.800 -0.053 0.000 1.199 567 D HN 0.385 nan 8.370 nan 0.000 0.426 568 T N 1.655 116.183 114.554 -0.044 0.000 2.866 568 T HA -0.010 4.383 4.350 0.072 0.000 0.293 568 T C 0.559 175.257 174.700 -0.004 0.000 1.005 568 T CA 0.407 62.513 62.100 0.010 0.000 1.162 568 T CB 0.171 69.064 68.868 0.041 0.000 0.968 568 T HN 0.156 nan 8.240 nan 0.000 0.530 569 K N 3.501 123.909 120.400 0.013 0.000 2.367 569 K HA 0.320 4.683 4.320 0.072 0.000 0.263 569 K C -0.539 176.075 176.600 0.024 0.000 1.000 569 K CA -0.492 55.802 56.287 0.012 0.000 0.891 569 K CB 0.674 33.181 32.500 0.011 0.000 1.117 569 K HN 0.417 nan 8.250 nan 0.000 0.443 570 E N 3.820 124.027 120.200 0.012 0.000 2.313 570 E HA 0.187 4.581 4.350 0.072 0.000 0.276 570 E C 0.366 176.969 176.600 0.006 0.000 1.031 570 E CA 0.046 56.451 56.400 0.008 0.000 0.857 570 E CB 1.015 30.714 29.700 -0.000 0.000 1.040 570 E HN 0.573 nan 8.360 nan 0.000 0.408 571 I N 1.665 122.238 120.570 0.005 0.000 3.172 571 I HA 0.090 4.304 4.170 0.072 0.000 0.278 571 I C 0.363 176.476 176.117 -0.007 0.000 1.174 571 I CA 0.104 61.406 61.300 0.004 0.000 1.445 571 I CB 0.109 38.116 38.000 0.012 0.000 1.175 571 I HN 0.549 nan 8.210 nan 0.000 0.447 572 N N 0.820 119.509 118.700 -0.019 0.000 3.545 572 N HA 0.122 4.905 4.740 0.072 0.000 0.227 572 N C -1.457 174.023 175.510 -0.050 0.000 1.380 572 N CA -0.762 52.269 53.050 -0.032 0.000 0.892 572 N CB 2.142 40.608 38.487 -0.035 0.000 1.441 572 N HN -0.163 nan 8.380 nan 0.000 0.497 573 K N 1.365 121.731 120.400 -0.056 0.000 2.307 573 K HA 0.352 4.715 4.320 0.072 0.000 0.263 573 K C -0.556 175.986 176.600 -0.096 0.000 0.973 573 K CA -0.624 55.620 56.287 -0.072 0.000 0.846 573 K CB 1.497 33.966 32.500 -0.052 0.000 1.100 573 K HN 0.426 nan 8.250 nan 0.000 0.438 574 V N 3.810 123.630 119.914 -0.156 0.000 2.584 574 V HA -0.137 4.027 4.120 0.072 0.000 0.303 574 V C 0.900 176.950 176.094 -0.074 0.000 1.035 574 V CA 0.245 62.438 62.300 -0.179 0.000 1.172 574 V CB 0.050 31.689 31.823 -0.307 0.000 0.896 574 V HN 0.732 nan 8.190 nan 0.000 0.486 575 N N 5.389 124.070 118.700 -0.033 0.000 3.243 575 N HA 0.218 5.001 4.740 0.072 0.000 0.310 575 N C -0.410 175.120 175.510 0.032 0.000 1.313 575 N CA -0.137 52.913 53.050 -0.001 0.000 1.204 575 N CB -0.452 38.041 38.487 0.010 0.000 1.483 575 N HN 0.747 nan 8.380 nan 0.000 0.553 576 I N -2.631 117.950 120.570 0.019 0.000 2.934 576 I HA 0.622 4.836 4.170 0.072 0.000 0.306 576 I C 0.184 176.249 176.117 -0.087 0.000 1.110 576 I CA -1.171 60.133 61.300 0.006 0.000 1.019 576 I CB 1.777 39.837 38.000 0.101 0.000 1.227 576 I HN 0.028 nan 8.210 nan 0.000 0.434 577 S N 1.837 117.438 115.700 -0.165 0.000 2.608 577 S HA 0.218 4.731 4.470 0.072 0.000 0.261 577 S C 0.689 175.170 174.600 -0.197 0.000 1.314 577 S CA -0.224 57.873 58.200 -0.172 0.000 0.992 577 S CB 0.940 64.019 63.200 -0.202 0.000 0.935 577 S HN 0.813 nan 8.310 nan 0.000 0.564 578 E N 0.913 121.016 120.200 -0.161 0.000 2.110 578 E HA -0.148 4.245 4.350 0.072 0.000 0.193 578 E C 2.269 178.747 176.600 -0.204 0.000 0.988 578 E CA 1.467 57.768 56.400 -0.164 0.000 0.804 578 E CB -0.309 29.319 29.700 -0.119 0.000 0.745 578 E HN 0.856 nan 8.360 nan 0.000 0.458 579 S N 1.007 116.582 115.700 -0.209 0.000 2.406 579 S HA -0.132 4.382 4.470 0.072 0.000 0.228 579 S C 1.490 175.897 174.600 -0.322 0.000 1.020 579 S CA 0.963 59.034 58.200 -0.215 0.000 0.965 579 S CB -0.026 63.072 63.200 -0.170 0.000 0.798 579 S HN 0.056 nan 8.310 nan 0.000 0.488 580 D N 1.498 121.597 120.400 -0.503 0.000 2.097 580 D HA -0.033 4.650 4.640 0.072 0.000 0.197 580 D C 1.824 177.783 176.300 -0.568 0.000 0.984 580 D CA 1.257 54.694 54.000 -0.938 0.000 0.826 580 D CB -0.490 39.401 40.800 -1.513 0.000 0.973 580 D HN 0.361 nan 8.370 nan 0.000 0.460 581 M N 1.215 120.598 119.600 -0.362 0.000 2.143 581 M HA -0.154 4.369 4.480 0.072 0.000 0.258 581 M C 1.829 177.895 176.300 -0.390 0.000 1.071 581 M CA 1.406 56.533 55.300 -0.289 0.000 1.088 581 M CB -0.506 31.914 32.600 -0.301 0.000 1.360 581 M HN 0.001 nan 8.290 nan 0.000 0.404 582 A N -0.684 121.949 122.820 -0.312 0.000 2.015 582 A HA -0.049 4.314 4.320 0.072 0.000 0.219 582 A C 2.153 179.701 177.584 -0.060 0.000 1.163 582 A CA 1.496 53.410 52.037 -0.205 0.000 0.646 582 A CB -0.953 17.968 19.000 -0.132 0.000 0.806 582 A HN 0.595 nan 8.150 nan 0.000 0.448 583 I N -0.201 120.340 120.570 -0.050 0.000 2.252 583 I HA -0.245 3.969 4.170 0.072 0.000 0.245 583 I C 2.274 178.507 176.117 0.193 0.000 1.102 583 I CA 0.980 62.338 61.300 0.097 0.000 1.385 583 I CB -0.296 37.804 38.000 0.167 0.000 1.064 583 I HN 0.290 nan 8.210 nan 0.000 0.414 584 L N -0.261 121.082 121.223 0.200 0.000 2.042 584 L HA -0.277 4.106 4.340 0.072 0.000 0.210 584 L C 2.561 179.543 176.870 0.186 0.000 1.076 584 L CA 1.723 56.674 54.840 0.185 0.000 0.749 584 L CB -1.127 40.995 42.059 0.105 0.000 0.893 584 L HN 0.378 nan 8.230 nan 0.000 0.432 585 H N -1.126 117.964 119.070 0.034 0.000 2.387 585 H HA -0.207 4.391 4.556 0.070 0.000 0.299 585 H C 2.364 177.794 175.328 0.170 0.000 1.090 585 H CA 1.073 57.178 56.048 0.095 0.000 1.332 585 H CB 0.266 30.068 29.762 0.066 0.000 1.386 585 H HN 0.264 nan 8.280 nan 0.000 0.516 586 Q N 0.888 120.843 119.800 0.259 0.000 2.172 586 Q HA -0.042 4.341 4.340 0.072 0.000 0.200 586 Q C 2.453 178.611 176.000 0.263 0.000 0.964 586 Q CA 1.281 57.214 55.803 0.216 0.000 0.855 586 Q CB -0.312 28.502 28.738 0.127 0.000 0.918 586 Q HN 0.433 nan 8.270 nan 0.000 0.444 587 G N -0.433 108.526 108.800 0.265 0.000 2.433 587 G HA2 -0.244 3.759 3.960 0.072 0.000 0.216 587 G HA3 -0.244 3.759 3.960 0.072 0.000 0.216 587 G C 0.966 176.079 174.900 0.356 0.000 1.186 587 G CA 0.789 46.053 45.100 0.274 0.000 0.779 587 G HN 0.385 nan 8.290 nan 0.000 0.543 588 F N -0.357 119.667 119.950 0.123 0.000 2.234 588 F HA 0.062 4.629 4.527 0.066 0.000 0.299 588 F C 2.296 178.098 175.800 0.003 0.000 1.087 588 F CA 0.100 58.122 58.000 0.036 0.000 1.340 588 F CB -0.900 38.106 39.000 0.010 0.000 1.031 588 F HN 0.248 nan 8.300 nan 0.000 0.500 589 Y N 0.950 121.344 120.300 0.157 0.000 2.181 589 Y HA -0.236 4.356 4.550 0.071 0.000 0.288 589 Y C 2.333 178.332 175.900 0.165 0.000 1.146 589 Y CA 1.899 60.047 58.100 0.080 0.000 1.164 589 Y CB -0.514 37.946 38.460 -0.000 0.000 0.982 589 Y HN 0.095 nan 8.280 nan 0.000 0.515 590 Q N -0.988 118.906 119.800 0.157 0.000 2.311 590 Q HA -0.092 4.292 4.340 0.072 0.000 0.203 590 Q C 2.256 178.286 176.000 0.051 0.000 0.954 590 Q CA 1.013 56.869 55.803 0.089 0.000 0.885 590 Q CB 0.013 28.840 28.738 0.148 0.000 0.963 590 Q HN 0.370 nan 8.270 nan 0.000 0.471 591 V N 0.956 120.902 119.914 0.054 0.000 2.469 591 V HA -0.252 3.911 4.120 0.072 0.000 0.251 591 V C 2.081 178.204 176.094 0.048 0.000 1.064 591 V CA 2.210 64.539 62.300 0.048 0.000 1.066 591 V CB -0.297 31.522 31.823 -0.007 0.000 0.667 591 V HN 0.460 nan 8.190 nan 0.000 0.461 592 S N -2.337 113.354 115.700 -0.016 0.000 2.526 592 S HA 0.085 4.599 4.470 0.072 0.000 0.220 592 S C 1.264 175.643 174.600 -0.368 0.000 1.017 592 S CA 0.009 58.155 58.200 -0.091 0.000 0.930 592 S CB 0.008 63.137 63.200 -0.119 0.000 0.856 592 S HN 0.691 nan 8.310 nan 0.000 0.497 593 H N 0.914 119.808 119.070 -0.293 0.000 3.170 593 H HA 0.468 5.067 4.556 0.071 0.000 0.264 593 H C 1.296 176.551 175.328 -0.122 0.000 1.113 593 H CA -0.140 55.731 56.048 -0.294 0.000 1.194 593 H CB 0.205 29.572 29.762 -0.659 0.000 1.553 593 H HN 0.463 nan 8.280 nan 0.000 0.538 594 G N 0.384 109.198 108.800 0.022 0.000 2.664 594 G HA2 0.253 4.257 3.960 0.072 0.000 0.242 594 G HA3 0.253 4.257 3.960 0.072 0.000 0.242 594 G C 0.758 175.687 174.900 0.048 0.000 1.225 594 G CA 0.398 45.538 45.100 0.067 0.000 0.849 594 G HN 0.382 nan 8.290 nan 0.000 0.581 595 T N -3.021 111.569 114.554 0.059 0.000 3.337 595 T HA 0.387 4.780 4.350 0.072 0.000 0.299 595 T C 0.653 175.364 174.700 0.019 0.000 0.998 595 T CA 0.246 62.366 62.100 0.033 0.000 0.948 595 T CB 0.123 69.012 68.868 0.035 0.000 1.170 595 T HN 0.614 nan 8.240 nan 0.000 0.508 596 S N 1.766 117.483 115.700 0.027 0.000 2.610 596 S HA 0.441 4.954 4.470 0.072 0.000 0.273 596 S C -1.601 172.945 174.600 -0.090 0.000 1.274 596 S CA -1.353 56.817 58.200 -0.049 0.000 1.023 596 S CB 1.147 64.314 63.200 -0.054 0.000 0.962 596 S HN 0.031 nan 8.310 nan 0.000 0.523 597 P HA 0.047 nan 4.420 nan 0.000 0.225 597 P C 0.797 178.034 177.300 -0.105 0.000 1.148 597 P CA 0.916 63.960 63.100 -0.094 0.000 0.779 597 P CB 0.012 31.674 31.700 -0.063 0.000 0.780 598 L N -2.079 118.924 121.223 -0.367 0.000 2.567 598 L HA 0.087 4.471 4.340 0.072 0.000 0.225 598 L C 0.467 177.414 176.870 0.128 0.000 1.119 598 L CA 0.145 54.804 54.840 -0.301 0.000 0.871 598 L CB -0.860 40.429 42.059 -1.283 0.000 1.036 598 L HN -0.140 nan 8.230 nan 0.000 0.459 599 T N 0.232 114.849 114.554 0.106 0.000 2.902 599 T HA 0.004 4.398 4.350 0.072 0.000 0.301 599 T C 1.444 176.207 174.700 0.106 0.000 1.012 599 T CA 0.495 62.708 62.100 0.188 0.000 1.151 599 T CB 1.091 70.024 68.868 0.108 0.000 0.946 599 T HN 0.356 nan 8.240 nan 0.000 0.542 600 T N -0.273 114.333 114.554 0.087 0.000 3.037 600 T HA 0.250 4.643 4.350 0.072 0.000 0.252 600 T C 1.445 176.064 174.700 -0.135 0.000 1.073 600 T CA 0.235 62.292 62.100 -0.072 0.000 1.091 600 T CB 0.343 69.174 68.868 -0.062 0.000 0.935 600 T HN 0.640 nan 8.240 nan 0.000 0.488 601 G N 0.600 109.366 108.800 -0.057 0.000 4.716 601 G HA2 0.294 4.298 3.960 0.072 0.000 0.282 601 G HA3 0.294 4.298 3.960 0.072 0.000 0.282 601 G C 0.897 175.759 174.900 -0.064 0.000 1.173 601 G CA -0.625 44.411 45.100 -0.106 0.000 0.913 601 G HN 0.248 nan 8.290 nan 0.000 0.566 602 R N 0.279 120.720 120.500 -0.098 0.000 2.159 602 R HA -0.084 4.299 4.340 0.072 0.000 0.237 602 R C 2.759 178.985 176.300 -0.124 0.000 1.131 602 R CA 1.230 57.268 56.100 -0.103 0.000 0.982 602 R CB 0.044 30.289 30.300 -0.091 0.000 0.868 602 R HN 0.383 nan 8.270 nan 0.000 0.453 603 A N 0.566 123.272 122.820 -0.190 0.000 2.024 603 A HA -0.182 4.182 4.320 0.072 0.000 0.220 603 A C 1.677 179.161 177.584 -0.167 0.000 1.164 603 A CA 1.170 53.085 52.037 -0.203 0.000 0.643 603 A CB -0.586 18.253 19.000 -0.268 0.000 0.806 603 A HN 0.204 nan 8.150 nan 0.000 0.451 604 F N 0.569 120.438 119.950 -0.134 0.000 2.154 604 F HA -0.166 4.404 4.527 0.070 0.000 0.301 604 F C 2.636 178.354 175.800 -0.135 0.000 1.087 604 F CA 1.759 59.680 58.000 -0.132 0.000 1.274 604 F CB -0.431 38.473 39.000 -0.160 0.000 1.009 604 F HN 0.170 nan 8.300 nan 0.000 0.485 605 S N -1.964 113.740 115.700 0.007 0.000 2.503 605 S HA -0.039 4.474 4.470 0.072 0.000 0.215 605 S C 0.429 174.995 174.600 -0.057 0.000 1.003 605 S CA -0.088 58.053 58.200 -0.098 0.000 0.910 605 S CB -0.209 62.818 63.200 -0.289 0.000 0.790 605 S HN 0.171 nan 8.310 nan 0.000 0.514 606 D N 1.856 122.227 120.400 -0.047 0.000 2.385 606 D HA 0.310 4.993 4.640 0.072 0.000 0.260 606 D C 1.019 177.314 176.300 -0.009 0.000 1.326 606 D CA 0.772 54.751 54.000 -0.036 0.000 1.023 606 D CB -0.640 40.132 40.800 -0.047 0.000 1.083 606 D HN 0.356 nan 8.370 nan 0.000 0.517 607 G N 2.647 111.447 108.800 -0.001 0.000 2.131 607 G HA2 -0.123 3.880 3.960 0.072 0.000 0.223 607 G HA3 -0.123 3.880 3.960 0.072 0.000 0.223 607 G C 0.431 175.350 174.900 0.031 0.000 0.990 607 G CA 0.032 45.142 45.100 0.017 0.000 0.671 607 G HN 0.883 nan 8.290 nan 0.000 0.521 608 A N 0.359 123.197 122.820 0.029 0.000 2.440 608 A HA 0.688 5.052 4.320 0.072 0.000 0.251 608 A C 1.519 179.134 177.584 0.052 0.000 1.089 608 A CA 1.270 53.335 52.037 0.047 0.000 0.779 608 A CB 0.377 19.401 19.000 0.040 0.000 1.022 608 A HN 1.475 nan 8.150 nan 0.000 0.492 609 T N -0.773 113.819 114.554 0.063 0.000 3.086 609 T HA 0.353 4.747 4.350 0.072 0.000 0.250 609 T C 0.415 175.156 174.700 0.067 0.000 1.074 609 T CA 0.664 62.800 62.100 0.060 0.000 0.988 609 T CB -1.090 67.814 68.868 0.060 0.000 0.988 609 T HN 1.379 nan 8.240 nan 0.000 0.530 610 V N -2.869 117.091 119.914 0.077 0.000 3.181 610 V HA 0.728 4.892 4.120 0.072 0.000 0.308 610 V C -0.150 176.003 176.094 0.097 0.000 1.214 610 V CA -1.406 60.944 62.300 0.084 0.000 1.053 610 V CB 1.407 33.283 31.823 0.089 0.000 1.069 610 V HN 0.037 nan 8.190 nan 0.000 0.441 611 S N 1.055 116.825 115.700 0.118 0.000 2.516 611 S HA 0.535 5.048 4.470 0.072 0.000 0.282 611 S C -0.332 174.333 174.600 0.108 0.000 1.286 611 S CA -0.247 58.056 58.200 0.172 0.000 1.066 611 S CB -0.764 62.545 63.200 0.182 0.000 0.884 611 S HN 0.537 nan 8.310 nan 0.000 0.491 612 I N 4.209 124.833 120.570 0.090 0.000 2.378 612 I HA 0.306 4.519 4.170 0.072 0.000 0.291 612 I C -0.001 176.010 176.117 -0.177 0.000 0.992 612 I CA -0.434 60.815 61.300 -0.085 0.000 1.154 612 I CB 2.026 39.965 38.000 -0.102 0.000 1.315 612 I HN 0.478 nan 8.210 nan 0.000 0.448 613 S N 3.348 118.774 115.700 -0.456 0.000 2.537 613 S HA 0.922 5.436 4.470 0.072 0.000 0.301 613 S C 0.052 174.193 174.600 -0.766 0.000 1.092 613 S CA -0.628 57.240 58.200 -0.553 0.000 1.048 613 S CB 2.210 65.037 63.200 -0.622 0.000 1.053 613 S HN 0.929 nan 8.310 nan 0.000 0.501 614 G N 0.939 109.342 108.800 -0.662 0.000 2.489 614 G HA2 0.615 4.619 3.960 0.072 0.000 0.305 614 G HA3 0.615 4.619 3.960 0.072 0.000 0.305 614 G C -2.131 172.248 174.900 -0.868 0.000 1.311 614 G CA -0.670 43.917 45.100 -0.855 0.000 0.813 614 G HN 0.567 nan 8.290 nan 0.000 0.480 615 K N 0.035 120.071 120.400 -0.608 0.000 2.543 615 K HA 0.676 5.039 4.320 0.072 0.000 0.255 615 K C -0.052 176.535 176.600 -0.021 0.000 0.934 615 K CA -0.146 55.853 56.287 -0.479 0.000 0.810 615 K CB 1.540 33.455 32.500 -0.976 0.000 1.315 615 K HN 0.981 nan 8.250 nan 0.000 0.433 616 T N -0.075 114.487 114.554 0.015 0.000 2.927 616 T HA 0.825 5.218 4.350 0.072 0.000 0.281 616 T C 0.514 175.198 174.700 -0.026 0.000 0.998 616 T CA -0.525 61.563 62.100 -0.020 0.000 1.019 616 T CB 1.590 70.382 68.868 -0.126 0.000 1.061 616 T HN 0.555 nan 8.240 nan 0.000 0.518 631 N N 1.784 120.436 118.700 -0.080 0.000 2.458 631 N HA 0.458 5.242 4.740 0.072 0.000 0.270 631 N C 0.565 176.027 175.510 -0.081 0.000 1.102 631 N CA -0.050 52.946 53.050 -0.090 0.000 0.967 631 N CB 1.374 39.811 38.487 -0.083 0.000 1.078 631 N HN 0.871 nan 8.380 nan 0.000 0.471 632 T N -0.486 114.003 114.554 -0.108 0.000 3.213 632 T HA 0.276 4.669 4.350 0.072 0.000 0.240 632 T C -0.017 174.643 174.700 -0.066 0.000 1.033 632 T CA -0.865 61.151 62.100 -0.140 0.000 1.087 632 T CB -0.754 67.948 68.868 -0.276 0.000 1.119 632 T HN 0.150 nan 8.240 nan 0.000 0.571 633 N N 1.933 120.619 118.700 -0.022 0.000 2.467 633 N HA 0.671 5.454 4.740 0.072 0.000 0.262 633 N C -0.393 175.128 175.510 0.018 0.000 1.234 633 N CA -0.274 52.787 53.050 0.019 0.000 0.952 633 N CB 1.300 39.812 38.487 0.040 0.000 1.158 633 N HN 0.737 nan 8.380 nan 0.000 0.463 634 A N -0.324 122.530 122.820 0.057 0.000 2.574 634 A HA 0.615 4.978 4.320 0.072 0.000 0.297 634 A C -0.854 176.816 177.584 0.144 0.000 1.062 634 A CA -0.722 51.381 52.037 0.110 0.000 0.686 634 A CB 0.964 20.029 19.000 0.109 0.000 1.285 634 A HN 0.454 nan 8.150 nan 0.000 0.403 635 V N -1.646 118.358 119.914 0.149 0.000 2.864 635 V HA 1.053 5.216 4.120 0.072 0.000 0.314 635 V C -0.096 175.999 176.094 0.003 0.000 1.073 635 V CA -0.194 62.172 62.300 0.110 0.000 0.956 635 V CB 1.162 33.066 31.823 0.136 0.000 1.023 635 V HN 2.532 nan 8.190 nan 0.000 0.435 636 A N 2.701 125.518 122.820 -0.005 0.000 2.610 636 A HA 0.988 5.352 4.320 0.072 0.000 0.291 636 A C -1.434 176.160 177.584 0.018 0.000 1.086 636 A CA -0.444 51.478 52.037 -0.191 0.000 0.677 636 A CB 1.867 20.685 19.000 -0.303 0.000 1.278 636 A HN 2.298 nan 8.150 nan 0.000 0.414 637 Y N -2.151 118.091 120.300 -0.096 0.000 2.597 637 Y HA 0.925 5.518 4.550 0.072 0.000 0.340 637 Y C -0.451 175.419 175.900 -0.051 0.000 1.097 637 Y CA -0.898 57.163 58.100 -0.065 0.000 1.037 637 Y CB 1.185 39.602 38.460 -0.071 0.000 1.305 637 Y HN 1.860 nan 8.280 nan 0.000 0.463 638 A N 1.427 124.350 122.820 0.170 0.000 2.597 638 A HA 0.781 5.144 4.320 0.072 0.000 0.292 638 A C -3.384 174.284 177.584 0.139 0.000 1.057 638 A CA -1.780 50.321 52.037 0.106 0.000 0.674 638 A CB 1.252 20.286 19.000 0.057 0.000 1.278 638 A HN 0.480 nan 8.150 nan 0.000 0.416 639 P HA 0.273 nan 4.420 nan 0.000 0.274 639 P C 0.899 178.271 177.300 0.119 0.000 1.231 639 P CA 0.203 63.365 63.100 0.104 0.000 0.790 639 P CB 0.494 32.248 31.700 0.091 0.000 0.951 640 T N 0.915 115.524 114.554 0.092 0.000 2.653 640 T HA -0.218 4.175 4.350 0.072 0.000 0.268 640 T C 1.350 176.110 174.700 0.099 0.000 1.035 640 T CA 1.868 64.028 62.100 0.100 0.000 1.154 640 T CB -0.460 68.458 68.868 0.083 0.000 0.862 640 T HN 0.576 nan 8.240 nan 0.000 0.441 641 E N 0.415 120.648 120.200 0.055 0.000 2.299 641 E HA 0.044 4.437 4.350 0.072 0.000 0.193 641 E C 0.700 177.320 176.600 0.033 0.000 0.998 641 E CA 0.332 56.748 56.400 0.026 0.000 0.851 641 E CB 0.179 29.885 29.700 0.011 0.000 0.795 641 E HN 0.248 nan 8.360 nan 0.000 0.492 642 N N 0.366 119.096 118.700 0.050 0.000 2.751 642 N HA 0.141 4.924 4.740 0.072 0.000 0.238 642 N C -3.058 172.485 175.510 0.056 0.000 1.351 642 N CA -1.696 51.379 53.050 0.041 0.000 0.751 642 N CB 0.943 39.452 38.487 0.038 0.000 1.342 642 N HN -0.263 nan 8.380 nan 0.000 0.540 643 P HA 0.218 nan 4.420 nan 0.000 0.271 643 P C -0.199 177.127 177.300 0.043 0.000 1.220 643 P CA 0.243 63.381 63.100 0.063 0.000 0.768 643 P CB 1.121 32.808 31.700 -0.021 0.000 0.848 644 Q N 1.994 121.835 119.800 0.070 0.000 2.179 644 Q HA 0.356 4.739 4.340 0.072 0.000 0.244 644 Q C 0.166 176.156 176.000 -0.017 0.000 0.808 644 Q CA -0.045 55.794 55.803 0.059 0.000 0.955 644 Q CB 0.964 29.788 28.738 0.143 0.000 1.141 644 Q HN 0.395 nan 8.270 nan 0.000 0.485 645 I N 0.266 120.824 120.570 -0.019 0.000 2.619 645 I HA 0.716 4.929 4.170 0.072 0.000 0.292 645 I C -1.910 174.198 176.117 -0.016 0.000 1.100 645 I CA -1.014 60.208 61.300 -0.131 0.000 1.043 645 I CB 1.705 39.559 38.000 -0.245 0.000 1.239 645 I HN -0.073 nan 8.210 nan 0.000 0.420 646 A N 6.622 129.421 122.820 -0.035 0.000 2.371 646 A HA 0.804 5.168 4.320 0.072 0.000 0.311 646 A C -1.746 175.849 177.584 0.020 0.000 1.068 646 A CA -0.575 51.483 52.037 0.035 0.000 0.744 646 A CB 1.920 20.931 19.000 0.018 0.000 1.239 646 A HN 0.681 nan 8.150 nan 0.000 0.435 647 V N 1.473 121.417 119.914 0.051 0.000 2.760 647 V HA 0.835 4.998 4.120 0.072 0.000 0.309 647 V C -0.338 175.800 176.094 0.073 0.000 1.077 647 V CA 0.062 62.392 62.300 0.051 0.000 0.910 647 V CB 1.766 33.620 31.823 0.052 0.000 1.008 647 V HN 1.780 nan 8.190 nan 0.000 0.424 648 A N 5.526 128.391 122.820 0.075 0.000 2.342 648 A HA 0.898 5.261 4.320 0.072 0.000 0.323 648 A C -1.184 176.442 177.584 0.070 0.000 1.125 648 A CA -0.563 51.530 52.037 0.092 0.000 0.785 648 A CB 1.868 20.936 19.000 0.115 0.000 1.221 648 A HN 1.097 nan 8.150 nan 0.000 0.463 649 V N 2.660 122.613 119.914 0.066 0.000 2.531 649 V HA 0.496 4.660 4.120 0.072 0.000 0.301 649 V C -0.679 175.438 176.094 0.038 0.000 1.034 649 V CA -0.460 61.861 62.300 0.034 0.000 0.865 649 V CB 1.721 33.553 31.823 0.015 0.000 0.995 649 V HN 0.673 nan 8.190 nan 0.000 0.424 650 V N 5.643 125.562 119.914 0.008 0.000 2.444 650 V HA 0.520 4.683 4.120 0.072 0.000 0.294 650 V C -1.046 175.029 176.094 -0.031 0.000 1.022 650 V CA -0.437 61.837 62.300 -0.043 0.000 0.850 650 V CB 1.747 33.456 31.823 -0.190 0.000 0.992 650 V HN 0.706 nan 8.190 nan 0.000 0.426 651 F N 8.546 128.422 119.950 -0.124 0.000 2.809 651 F HA 0.573 5.143 4.527 0.072 0.000 0.369 651 F C -2.678 173.090 175.800 -0.053 0.000 1.225 651 F CA -2.945 55.019 58.000 -0.061 0.000 1.201 651 F CB 1.749 40.718 39.000 -0.053 0.000 1.527 651 F HN 0.318 nan 8.300 nan 0.000 0.565 652 P HA 0.168 nan 4.420 nan 0.000 0.278 652 P C -0.449 176.978 177.300 0.211 0.000 1.238 652 P CA 0.387 63.549 63.100 0.103 0.000 0.794 652 P CB 0.514 32.309 31.700 0.159 0.000 0.955 653 H N -1.400 117.782 119.070 0.186 0.000 2.692 653 H HA -0.174 4.426 4.556 0.073 0.000 0.316 653 H C 0.179 175.578 175.328 0.118 0.000 1.176 653 H CA 0.563 56.706 56.048 0.159 0.000 1.142 653 H CB -2.001 27.887 29.762 0.210 0.000 1.475 653 H HN 0.505 nan 8.280 nan 0.000 0.423 654 N N 1.272 119.995 118.700 0.037 0.000 2.425 654 N HA 0.087 4.870 4.740 0.072 0.000 0.268 654 N C 0.864 176.306 175.510 -0.113 0.000 0.991 654 N CA 0.392 53.350 53.050 -0.153 0.000 0.931 654 N CB 0.978 39.092 38.487 -0.622 0.000 1.130 654 N HN 0.344 nan 8.380 nan 0.000 0.493 655 T N -0.357 114.160 114.554 -0.061 0.000 3.186 655 T HA 0.236 4.629 4.350 0.072 0.000 0.257 655 T C 0.014 174.675 174.700 -0.065 0.000 1.029 655 T CA -0.549 61.535 62.100 -0.026 0.000 0.916 655 T CB -0.518 68.374 68.868 0.039 0.000 1.041 655 T HN 0.226 nan 8.240 nan 0.000 0.562 656 N N 2.724 121.350 118.700 -0.124 0.000 2.405 656 N HA 0.266 5.049 4.740 0.072 0.000 0.260 656 N C 0.596 176.036 175.510 -0.116 0.000 1.152 656 N CA -0.503 52.473 53.050 -0.123 0.000 0.948 656 N CB 1.178 39.567 38.487 -0.164 0.000 1.111 656 N HN 0.261 nan 8.380 nan 0.000 0.485 657 L N 0.795 121.969 121.223 -0.081 0.000 2.640 657 L HA 0.238 4.622 4.340 0.072 0.000 0.230 657 L C 1.791 178.614 176.870 -0.077 0.000 1.123 657 L CA 0.205 55.001 54.840 -0.074 0.000 0.900 657 L CB -1.546 40.490 42.059 -0.038 0.000 1.146 657 L HN 0.473 nan 8.230 nan 0.000 0.484 658 T N -1.369 113.138 114.554 -0.079 0.000 2.818 658 T HA 0.058 4.451 4.350 0.072 0.000 0.246 658 T C 0.846 175.486 174.700 -0.099 0.000 1.036 658 T CA 0.405 62.459 62.100 -0.076 0.000 1.160 658 T CB -0.210 68.621 68.868 -0.060 0.000 0.869 658 T HN 0.458 nan 8.240 nan 0.000 0.419 659 K N 1.218 121.553 120.400 -0.108 0.000 2.207 659 K HA 0.559 4.922 4.320 0.072 0.000 0.255 659 K C -1.264 175.241 176.600 -0.158 0.000 0.941 659 K CA -0.944 55.268 56.287 -0.125 0.000 0.825 659 K CB 1.304 33.745 32.500 -0.098 0.000 1.119 659 K HN 0.094 nan 8.250 nan 0.000 0.430 660 N N 2.916 121.505 118.700 -0.185 0.000 2.558 660 N HA 0.060 4.843 4.740 0.072 0.000 0.242 660 N C 0.299 175.678 175.510 -0.218 0.000 0.979 660 N CA -0.937 51.980 53.050 -0.222 0.000 0.931 660 N CB 1.574 39.912 38.487 -0.249 0.000 1.122 660 N HN 0.588 nan 8.380 nan 0.000 0.508 661 V N 1.797 121.591 119.914 -0.200 0.000 3.380 661 V HA 0.248 4.412 4.120 0.072 0.000 0.268 661 V C 1.913 177.866 176.094 -0.235 0.000 1.168 661 V CA 1.211 63.418 62.300 -0.155 0.000 1.156 661 V CB -0.804 31.004 31.823 -0.025 0.000 0.785 661 V HN 0.482 nan 8.190 nan 0.000 0.487 662 G N 1.657 110.329 108.800 -0.213 0.000 2.514 662 G HA2 -0.179 3.824 3.960 0.072 0.000 0.217 662 G HA3 -0.179 3.824 3.960 0.072 0.000 0.217 662 G C -0.016 174.745 174.900 -0.232 0.000 1.198 662 G CA 1.490 46.490 45.100 -0.168 0.000 0.780 662 G HN 0.621 nan 8.290 nan 0.000 0.565 663 P HA 0.044 nan 4.420 nan 0.000 0.220 663 P C 1.977 179.049 177.300 -0.380 0.000 1.148 663 P CA 1.737 64.412 63.100 -0.707 0.000 0.803 663 P CB -0.115 30.765 31.700 -1.367 0.000 0.782 664 A N -0.722 121.920 122.820 -0.296 0.000 1.929 664 A HA -0.104 4.260 4.320 0.072 0.000 0.216 664 A C 2.178 179.645 177.584 -0.195 0.000 1.176 664 A CA 1.060 53.000 52.037 -0.161 0.000 0.628 664 A CB -1.474 17.491 19.000 -0.059 0.000 0.816 664 A HN 0.100 nan 8.150 nan 0.000 0.444 665 I N -0.178 120.147 120.570 -0.407 0.000 2.179 665 I HA -0.267 3.946 4.170 0.072 0.000 0.242 665 I C 2.989 179.032 176.117 -0.124 0.000 1.088 665 I CA 1.030 62.077 61.300 -0.422 0.000 1.357 665 I CB -0.319 37.389 38.000 -0.486 0.000 1.051 665 I HN 0.345 nan 8.210 nan 0.000 0.409 666 A N 0.877 123.678 122.820 -0.033 0.000 1.883 666 A HA -0.283 4.081 4.320 0.072 0.000 0.217 666 A C 2.462 180.116 177.584 0.117 0.000 1.186 666 A CA 2.054 54.143 52.037 0.086 0.000 0.624 666 A CB -0.766 18.371 19.000 0.228 0.000 0.822 666 A HN 0.387 nan 8.150 nan 0.000 0.444 667 R N -0.441 120.148 120.500 0.148 0.000 2.083 667 R HA -0.202 4.182 4.340 0.072 0.000 0.237 667 R C 1.305 177.672 176.300 0.111 0.000 1.137 667 R CA 2.093 58.280 56.100 0.146 0.000 0.951 667 R CB -0.479 29.901 30.300 0.132 0.000 0.851 667 R HN 0.460 nan 8.270 nan 0.000 0.434 668 D N 0.308 120.763 120.400 0.091 0.000 2.183 668 D HA -0.093 4.590 4.640 0.072 0.000 0.203 668 D C 1.962 178.336 176.300 0.124 0.000 0.969 668 D CA 0.971 55.038 54.000 0.112 0.000 0.842 668 D CB -0.077 40.810 40.800 0.144 0.000 0.957 668 D HN 0.347 nan 8.370 nan 0.000 0.484 669 I N 0.541 121.174 120.570 0.105 0.000 2.252 669 I HA -0.204 4.009 4.170 0.072 0.000 0.245 669 I C 2.286 178.547 176.117 0.240 0.000 1.102 669 I CA 0.644 62.028 61.300 0.139 0.000 1.385 669 I CB 0.017 38.067 38.000 0.084 0.000 1.064 669 I HN -0.066 nan 8.210 nan 0.000 0.414 670 I N 0.559 121.241 120.570 0.186 0.000 2.202 670 I HA -0.293 3.920 4.170 0.072 0.000 0.242 670 I C 2.213 178.462 176.117 0.220 0.000 1.091 670 I CA 1.150 62.570 61.300 0.201 0.000 1.368 670 I CB -0.530 37.550 38.000 0.134 0.000 1.058 670 I HN 0.268 nan 8.210 nan 0.000 0.410 671 N N 1.062 119.864 118.700 0.171 0.000 2.037 671 N HA -0.204 4.580 4.740 0.072 0.000 0.196 671 N C 1.922 177.541 175.510 0.182 0.000 1.034 671 N CA 1.500 54.641 53.050 0.152 0.000 0.861 671 N CB -0.645 37.913 38.487 0.118 0.000 1.039 671 N HN 0.293 nan 8.380 nan 0.000 0.427 672 L N -0.657 120.701 121.223 0.225 0.000 2.079 672 L HA -0.217 4.167 4.340 0.072 0.000 0.210 672 L C 2.265 179.356 176.870 0.368 0.000 1.081 672 L CA 1.199 56.205 54.840 0.277 0.000 0.752 672 L CB -0.410 41.824 42.059 0.292 0.000 0.896 672 L HN 0.215 nan 8.230 nan 0.000 0.433 673 Y N 0.567 121.022 120.300 0.257 0.000 2.286 673 Y HA -0.200 4.400 4.550 0.083 0.000 0.293 673 Y C 2.437 178.378 175.900 0.067 0.000 1.124 673 Y CA 1.592 59.709 58.100 0.028 0.000 1.178 673 Y CB -0.184 38.210 38.460 -0.110 0.000 1.010 673 Y HN 0.198 nan 8.280 nan 0.000 0.536 674 N N 0.464 119.224 118.700 0.099 0.000 2.188 674 N HA -0.228 4.555 4.740 0.072 0.000 0.184 674 N C 1.922 177.428 175.510 -0.007 0.000 1.018 674 N CA 1.687 54.752 53.050 0.025 0.000 0.858 674 N CB -0.422 38.122 38.487 0.094 0.000 0.989 674 N HN 0.660 nan 8.380 nan 0.000 0.426 675 Q N -1.410 118.421 119.800 0.051 0.000 2.172 675 Q HA -0.194 4.189 4.340 0.072 0.000 0.200 675 Q C 1.448 177.486 176.000 0.063 0.000 0.964 675 Q CA 1.268 57.105 55.803 0.057 0.000 0.855 675 Q CB -0.248 28.542 28.738 0.088 0.000 0.918 675 Q HN 0.537 nan 8.270 nan 0.000 0.444 676 H N -0.757 118.270 119.070 -0.072 0.000 2.482 676 H HA 0.055 4.653 4.556 0.071 0.000 0.286 676 H C -0.436 174.792 175.328 -0.168 0.000 1.017 676 H CA 1.485 57.474 56.048 -0.098 0.000 1.322 676 H CB 0.324 30.039 29.762 -0.079 0.000 1.426 676 H HN 0.459 nan 8.280 nan 0.000 0.546 677 H N -0.996 117.818 119.070 -0.426 0.000 2.809 677 H HA 0.284 4.887 4.556 0.077 0.000 0.268 677 H C -2.883 172.220 175.328 -0.374 0.000 1.403 677 H CA -2.049 53.692 56.048 -0.512 0.000 1.564 677 H CB 0.448 29.696 29.762 -0.857 0.000 1.834 677 H HN 0.048 nan 8.280 nan 0.000 0.613 678 P HA -0.017 nan 4.420 nan 0.000 0.264 678 P C 0.287 177.563 177.300 -0.039 0.000 1.183 678 P CA 0.399 63.436 63.100 -0.105 0.000 0.763 678 P CB 0.817 32.452 31.700 -0.108 0.000 0.807 679 M N 0.596 120.219 119.600 0.039 0.000 2.838 679 M HA 0.085 4.608 4.480 0.072 0.000 0.251 679 M C 0.319 176.655 176.300 0.060 0.000 1.393 679 M CA 0.261 55.617 55.300 0.094 0.000 1.196 679 M CB 0.056 32.747 32.600 0.152 0.000 1.276 679 M HN 0.417 nan 8.290 nan 0.000 0.541 680 N N 0.000 118.728 118.700 0.046 0.000 1.763 680 N HA 0.000 4.783 4.740 0.072 0.000 0.220 680 N CA 0.000 53.072 53.050 0.037 0.000 0.885 680 N CB 0.000 38.499 38.487 0.020 0.000 1.341 680 N HN 0.000 nan 8.380 nan 0.000 0.667