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 1t9c_1_B DATA FIRST_RESID 84 DATA SEQUENCE DMDTSFVGLT GGQIFNEMMS RQNVDTVFGY PGGAILPVYD AIHNSDKFNF DATA SEQUENCE VLPKHEQGAG HMAEGYARAS GKPGVVLVTS GPGATNVVTP MADAFADGIP DATA SEQUENCE MVVFTGQVPT SAIGTDAFQE ADVVGISRSC TKWNVMVKSV EELPLRINEA DATA SEQUENCE FEIATSGRPG PVLVDLPKDV TAAILRNPIP TKTTLPXXXX XXXXXXXQDE DATA SEQUENCE FVMQSINKAA DLINLAKKPV LYVGAGILNH ADGPRLLKEL SDRAQIPVTT DATA SEQUENCE TLQGLGSFDQ EDPKSLDMLG MHGCATANLA VQNADLIIAV GARFDDRVTG DATA SEQUENCE NISKFAPEAR RAAAEGRGGI IHFEVSPKNI NKVVQTQIAV EGDATTNLGK DATA SEQUENCE MMSKIFPVKE RSEWFAQINK WKKEYPYAYM EETPGSKIKP QTVIKKLSKV DATA SEQUENCE ANDTGRHVIV TTGVGQHQMW AAQHWTWRNP HTFITSGGLG TMGYGLPAAI DATA SEQUENCE GAQVAKPESL VIDIDGDASF NMTLTELSSA VQAGTPVKIL ILNNEEQGMV DATA SEQUENCE TQWQSLFYEH RYSHTHQLNP DFIKLAEAMG LKGLRVKKQE ELDAKLKEFV DATA SEQUENCE STKGPVLLEV EVDKKVPVLP MVAGGSGLDE FINFDPEVER QQTELRHKRT DATA SEQUENCE GGKH 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 84 D HA 0.000 nan 4.640 nan 0.000 0.175 84 D C 0.000 176.291 176.300 -0.015 0.000 2.045 84 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 84 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 85 M N 1.504 121.094 119.600 -0.016 0.000 2.367 85 M HA 0.468 4.948 4.480 0.000 0.000 0.339 85 M C -0.635 175.645 176.300 -0.034 0.000 1.177 85 M CA -0.202 55.088 55.300 -0.017 0.000 1.068 85 M CB 1.254 33.850 32.600 -0.007 0.000 1.602 85 M HN -0.018 nan 8.290 nan 0.000 0.457 86 D N 0.352 120.724 120.400 -0.045 0.000 2.350 86 D HA 0.522 5.162 4.640 0.000 0.000 0.245 86 D C 0.142 176.400 176.300 -0.071 0.000 1.036 86 D CA -0.212 53.736 54.000 -0.086 0.000 0.848 86 D CB 1.475 42.186 40.800 -0.149 0.000 1.307 86 D HN 0.710 nan 8.370 nan 0.000 0.469 87 T N -1.187 113.321 114.554 -0.076 0.000 3.170 87 T HA 0.091 4.441 4.350 0.000 0.000 0.288 87 T C 1.313 175.993 174.700 -0.034 0.000 0.992 87 T CA 0.259 62.340 62.100 -0.031 0.000 0.909 87 T CB -0.349 68.512 68.868 -0.011 0.000 1.133 87 T HN 0.236 nan 8.240 nan 0.000 0.530 88 S N 0.442 116.064 115.700 -0.131 0.000 2.507 88 S HA 0.129 4.599 4.470 0.000 0.000 0.235 88 S C 1.260 175.906 174.600 0.077 0.000 0.988 88 S CA 0.178 58.308 58.200 -0.117 0.000 0.944 88 S CB -0.975 62.060 63.200 -0.275 0.000 0.762 88 S HN 0.639 nan 8.310 nan 0.000 0.526 89 F N 0.989 120.943 119.950 0.007 0.000 2.720 89 F HA 0.308 4.835 4.527 0.000 0.000 0.301 89 F C 0.494 176.302 175.800 0.014 0.000 1.103 89 F CA -0.734 57.272 58.000 0.011 0.000 1.291 89 F CB 0.513 39.523 39.000 0.016 0.000 1.086 89 F HN -0.021 nan 8.300 nan 0.000 0.592 90 V N 1.282 121.308 119.914 0.187 0.000 2.694 90 V HA 0.113 4.233 4.120 0.000 0.000 0.306 90 V C 1.184 177.332 176.094 0.090 0.000 1.054 90 V CA 1.512 63.879 62.300 0.111 0.000 1.161 90 V CB 0.076 31.940 31.823 0.068 0.000 0.916 90 V HN 0.660 nan 8.190 nan 0.000 0.490 91 G N 3.660 112.500 108.800 0.067 0.000 2.195 91 G HA2 -0.201 3.759 3.960 0.000 0.000 0.246 91 G HA3 -0.201 3.759 3.960 0.000 0.000 0.246 91 G C -0.066 174.859 174.900 0.041 0.000 0.984 91 G CA 0.067 45.196 45.100 0.048 0.000 0.633 91 G HN 0.549 nan 8.290 nan 0.000 0.525 92 L N 1.755 123.007 121.223 0.049 0.000 2.334 92 L HA 0.625 4.965 4.340 0.000 0.000 0.275 92 L C 1.373 178.240 176.870 -0.005 0.000 1.036 92 L CA -0.369 54.480 54.840 0.016 0.000 0.807 92 L CB 1.602 43.658 42.059 -0.004 0.000 1.231 92 L HN 0.352 nan 8.230 nan 0.000 0.438 93 T N -1.542 113.003 114.554 -0.016 0.000 2.828 93 T HA 0.180 4.530 4.350 0.000 0.000 0.290 93 T C 1.319 175.998 174.700 -0.035 0.000 1.019 93 T CA -0.118 61.972 62.100 -0.016 0.000 1.031 93 T CB 1.489 70.349 68.868 -0.013 0.000 1.001 93 T HN 0.721 nan 8.240 nan 0.000 0.531 94 G N 0.484 109.272 108.800 -0.021 0.000 2.442 94 G HA2 -0.039 3.921 3.960 0.000 0.000 0.219 94 G HA3 -0.039 3.921 3.960 0.000 0.000 0.219 94 G C 1.542 176.433 174.900 -0.015 0.000 1.141 94 G CA 0.630 45.718 45.100 -0.019 0.000 0.763 94 G HN 1.033 nan 8.290 nan 0.000 0.554 95 G N 0.209 108.997 108.800 -0.020 0.000 2.418 95 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 95 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 95 G C 1.799 176.715 174.900 0.026 0.000 1.158 95 G CA 1.050 46.141 45.100 -0.014 0.000 0.771 95 G HN 0.522 nan 8.290 nan 0.000 0.545 96 Q N -0.291 119.497 119.800 -0.020 0.000 2.119 96 Q HA 0.063 4.403 4.340 0.000 0.000 0.201 96 Q C 2.576 178.501 176.000 -0.125 0.000 0.972 96 Q CA 0.727 56.506 55.803 -0.041 0.000 0.847 96 Q CB -0.149 28.562 28.738 -0.045 0.000 0.903 96 Q HN 0.509 nan 8.270 nan 0.000 0.433 97 I N 0.049 120.491 120.570 -0.215 0.000 2.286 97 I HA -0.255 3.915 4.170 0.000 0.000 0.248 97 I C 2.116 178.052 176.117 -0.303 0.000 1.115 97 I CA 0.961 61.965 61.300 -0.493 0.000 1.392 97 I CB -0.198 37.507 38.000 -0.491 0.000 1.065 97 I HN 0.182 nan 8.210 nan 0.000 0.418 98 F N 1.813 121.617 119.950 -0.243 0.000 2.134 98 F HA -0.277 4.250 4.527 0.000 0.000 0.299 98 F C 2.300 178.012 175.800 -0.147 0.000 1.097 98 F CA 1.989 59.861 58.000 -0.213 0.000 1.264 98 F CB -0.514 38.345 39.000 -0.235 0.000 1.001 98 F HN 0.086 nan 8.300 nan 0.000 0.479 99 N N -0.080 118.664 118.700 0.072 0.000 2.104 99 N HA -0.215 4.525 4.740 0.000 0.000 0.190 99 N C 1.741 177.237 175.510 -0.025 0.000 1.024 99 N CA 1.440 54.548 53.050 0.096 0.000 0.853 99 N CB -0.094 38.447 38.487 0.091 0.000 1.008 99 N HN 0.321 nan 8.380 nan 0.000 0.424 100 E N 0.574 120.715 120.200 -0.098 0.000 2.072 100 E HA -0.133 4.217 4.350 0.000 0.000 0.191 100 E C 2.059 178.621 176.600 -0.062 0.000 0.985 100 E CA 0.784 57.152 56.400 -0.053 0.000 0.801 100 E CB -0.244 29.429 29.700 -0.045 0.000 0.750 100 E HN 0.467 nan 8.360 nan 0.000 0.452 101 M N -0.062 119.434 119.600 -0.173 0.000 2.213 101 M HA -0.085 4.395 4.480 0.000 0.000 0.263 101 M C 2.067 178.191 176.300 -0.294 0.000 1.062 101 M CA 1.023 56.211 55.300 -0.187 0.000 1.105 101 M CB -0.735 31.733 32.600 -0.221 0.000 1.385 101 M HN 0.099 nan 8.290 nan 0.000 0.417 102 M N -1.051 118.335 119.600 -0.356 0.000 2.132 102 M HA -0.111 4.369 4.480 0.000 0.000 0.263 102 M C 2.417 178.633 176.300 -0.139 0.000 1.065 102 M CA 1.343 56.450 55.300 -0.322 0.000 1.122 102 M CB -1.547 30.864 32.600 -0.315 0.000 1.365 102 M HN 0.305 nan 8.290 nan 0.000 0.411 103 S N 0.293 115.971 115.700 -0.037 0.000 2.356 103 S HA -0.103 4.368 4.470 0.000 0.000 0.223 103 S C 2.041 176.612 174.600 -0.049 0.000 1.032 103 S CA 1.105 59.304 58.200 -0.000 0.000 1.005 103 S CB -0.031 63.181 63.200 0.019 0.000 0.867 103 S HN 0.433 nan 8.310 nan 0.000 0.449 104 R N 0.231 120.691 120.500 -0.066 0.000 2.120 104 R HA 0.032 4.372 4.340 0.000 0.000 0.234 104 R C 1.863 178.077 176.300 -0.142 0.000 1.123 104 R CA 1.081 57.138 56.100 -0.073 0.000 0.975 104 R CB -0.172 30.106 30.300 -0.036 0.000 0.866 104 R HN 0.437 nan 8.270 nan 0.000 0.446 105 Q N 0.250 119.895 119.800 -0.259 0.000 2.322 105 Q HA 0.004 4.344 4.340 0.000 0.000 0.203 105 Q C -0.194 175.666 176.000 -0.232 0.000 0.923 105 Q CA 0.005 55.568 55.803 -0.400 0.000 0.949 105 Q CB -0.158 27.985 28.738 -0.993 0.000 1.039 105 Q HN 0.408 nan 8.270 nan 0.000 0.496 106 N N -0.179 118.449 118.700 -0.120 0.000 2.735 106 N HA -0.169 4.571 4.740 0.000 0.000 0.248 106 N C -1.010 174.504 175.510 0.006 0.000 1.083 106 N CA -0.219 52.809 53.050 -0.036 0.000 0.703 106 N CB -0.497 37.979 38.487 -0.018 0.000 1.005 106 N HN -0.060 nan 8.380 nan 0.000 0.550 107 V N 1.732 121.636 119.914 -0.017 0.000 2.461 107 V HA 0.100 4.220 4.120 0.000 0.000 0.275 107 V C 0.966 177.106 176.094 0.077 0.000 1.047 107 V CA 0.642 62.957 62.300 0.025 0.000 0.955 107 V CB 1.466 33.248 31.823 -0.069 0.000 0.988 107 V HN 0.431 nan 8.190 nan 0.000 0.471 108 D N 1.581 122.039 120.400 0.097 0.000 2.433 108 D HA 0.128 4.768 4.640 0.000 0.000 0.211 108 D C 0.251 176.587 176.300 0.061 0.000 1.114 108 D CA 0.017 54.093 54.000 0.126 0.000 0.837 108 D CB 0.596 41.475 40.800 0.131 0.000 0.984 108 D HN 0.494 nan 8.370 nan 0.000 0.505 109 T N -0.162 114.316 114.554 -0.127 0.000 3.105 109 T HA 0.501 4.851 4.350 0.000 0.000 0.321 109 T C -1.293 173.079 174.700 -0.547 0.000 1.135 109 T CA -0.660 61.211 62.100 -0.382 0.000 1.053 109 T CB 2.369 70.835 68.868 -0.671 0.000 1.133 109 T HN -0.142 nan 8.240 nan 0.000 0.463 110 V N 3.528 123.079 119.914 -0.605 0.000 2.588 110 V HA 0.611 4.731 4.120 0.000 0.000 0.304 110 V C -1.214 174.353 176.094 -0.877 0.000 1.042 110 V CA -0.881 61.088 62.300 -0.553 0.000 0.877 110 V CB 1.369 32.927 31.823 -0.442 0.000 0.996 110 V HN 0.823 nan 8.190 nan 0.000 0.425 111 F N 2.820 122.512 119.950 -0.430 0.000 2.427 111 F HA 0.882 5.409 4.527 0.000 0.000 0.346 111 F C 0.813 176.440 175.800 -0.288 0.000 1.120 111 F CA -0.234 57.503 58.000 -0.439 0.000 1.033 111 F CB 1.995 40.863 39.000 -0.221 0.000 1.126 111 F HN 0.671 nan 8.300 nan 0.000 0.462 112 G N 1.597 110.319 108.800 -0.132 0.000 2.550 112 G HA2 0.471 4.431 3.960 0.000 0.000 0.293 112 G HA3 0.471 4.431 3.960 0.000 0.000 0.293 112 G C -2.692 172.568 174.900 0.601 0.000 1.402 112 G CA -0.698 44.607 45.100 0.342 0.000 0.784 112 G HN 0.409 nan 8.290 nan 0.000 0.482 113 Y N 1.400 121.941 120.300 0.401 0.000 2.396 113 Y HA 0.597 5.147 4.550 0.000 0.000 0.332 113 Y C -2.302 173.577 175.900 -0.034 0.000 1.034 113 Y CA -1.659 56.558 58.100 0.195 0.000 1.057 113 Y CB 3.137 41.644 38.460 0.078 0.000 1.220 113 Y HN 0.500 nan 8.280 nan 0.000 0.440 114 P HA 0.500 nan 4.420 nan 0.000 0.274 114 P C -0.605 176.473 177.300 -0.370 0.000 1.237 114 P CA 0.069 62.588 63.100 -0.969 0.000 0.793 114 P CB 1.887 32.853 31.700 -1.223 0.000 0.977 115 G N -0.750 107.869 108.800 -0.301 0.000 2.576 115 G HA2 0.441 4.401 3.960 0.000 0.000 0.290 115 G HA3 0.441 4.401 3.960 0.000 0.000 0.290 115 G C 0.689 175.536 174.900 -0.088 0.000 1.442 115 G CA -0.113 44.917 45.100 -0.117 0.000 0.792 115 G HN 0.475 nan 8.290 nan 0.000 0.491 116 G N 0.400 109.181 108.800 -0.032 0.000 2.553 116 G HA2 0.037 3.997 3.960 0.000 0.000 0.218 116 G HA3 0.037 3.997 3.960 0.000 0.000 0.218 116 G C 2.077 176.981 174.900 0.005 0.000 1.195 116 G CA 2.309 47.413 45.100 0.007 0.000 0.779 116 G HN 1.597 nan 8.290 nan 0.000 0.577 117 A N -0.175 122.645 122.820 -0.001 0.000 2.019 117 A HA 0.080 4.401 4.320 0.000 0.000 0.219 117 A C 2.178 179.767 177.584 0.008 0.000 1.164 117 A CA 1.513 53.551 52.037 0.003 0.000 0.644 117 A CB -0.209 18.782 19.000 -0.014 0.000 0.805 117 A HN 0.457 nan 8.150 nan 0.000 0.449 118 I N -0.695 119.885 120.570 0.017 0.000 3.875 118 I HA 0.176 4.346 4.170 0.000 0.000 0.329 118 I C 1.504 177.686 176.117 0.108 0.000 1.295 118 I CA -0.003 61.334 61.300 0.062 0.000 1.129 118 I CB -0.252 37.829 38.000 0.135 0.000 1.008 118 I HN 0.251 nan 8.210 nan 0.000 0.413 119 L N 1.300 122.547 121.223 0.040 0.000 2.079 119 L HA -0.138 4.202 4.340 0.000 0.000 0.210 119 L C -0.320 176.577 176.870 0.045 0.000 1.081 119 L CA 1.507 56.369 54.840 0.037 0.000 0.752 119 L CB -1.881 40.169 42.059 -0.015 0.000 0.896 119 L HN 0.245 nan 8.230 nan 0.000 0.433 120 P HA -0.140 nan 4.420 nan 0.000 0.218 120 P C 1.829 179.114 177.300 -0.025 0.000 1.148 120 P CA 1.127 64.223 63.100 -0.008 0.000 0.822 120 P CB 0.098 31.789 31.700 -0.015 0.000 0.784 121 V N -2.147 117.734 119.914 -0.055 0.000 2.407 121 V HA -0.209 3.911 4.120 0.000 0.000 0.245 121 V C 2.056 178.059 176.094 -0.152 0.000 1.041 121 V CA 1.540 63.734 62.300 -0.177 0.000 1.040 121 V CB -1.427 30.138 31.823 -0.429 0.000 0.671 121 V HN 0.023 nan 8.190 nan 0.000 0.455 122 Y N 0.797 121.026 120.300 -0.118 0.000 2.333 122 Y HA -0.230 4.320 4.550 0.000 0.000 0.290 122 Y C 2.376 178.233 175.900 -0.071 0.000 1.144 122 Y CA 1.930 59.968 58.100 -0.104 0.000 1.228 122 Y CB -0.351 38.028 38.460 -0.135 0.000 0.985 122 Y HN 0.373 nan 8.280 nan 0.000 0.542 123 D N -0.547 119.884 120.400 0.052 0.000 2.117 123 D HA -0.137 4.503 4.640 0.000 0.000 0.198 123 D C 2.189 178.506 176.300 0.030 0.000 0.982 123 D CA 1.216 55.221 54.000 0.008 0.000 0.828 123 D CB -0.160 40.629 40.800 -0.019 0.000 0.967 123 D HN 0.212 nan 8.370 nan 0.000 0.464 124 A N 0.376 123.202 122.820 0.010 0.000 2.015 124 A HA -0.007 4.313 4.320 0.000 0.000 0.219 124 A C 2.186 179.784 177.584 0.024 0.000 1.163 124 A CA 1.182 53.229 52.037 0.016 0.000 0.646 124 A CB -0.831 18.176 19.000 0.011 0.000 0.806 124 A HN 0.555 nan 8.150 nan 0.000 0.448 125 I N -3.857 116.723 120.570 0.018 0.000 3.928 125 I HA 0.238 4.409 4.170 0.000 0.000 0.335 125 I C 0.644 176.733 176.117 -0.048 0.000 1.325 125 I CA -0.599 60.702 61.300 0.002 0.000 1.107 125 I CB -0.525 37.548 38.000 0.123 0.000 1.014 125 I HN 0.200 nan 8.210 nan 0.000 0.400 126 H N 3.172 122.182 119.070 -0.100 0.000 3.107 126 H HA 0.078 4.634 4.556 0.000 0.000 0.301 126 H C 0.465 175.727 175.328 -0.111 0.000 0.981 126 H CA 0.839 56.827 56.048 -0.100 0.000 1.443 126 H CB -0.210 29.513 29.762 -0.066 0.000 1.479 126 H HN 0.479 nan 8.280 nan 0.000 0.564 127 N N 2.205 120.614 118.700 -0.484 0.000 2.725 127 N HA -0.284 4.456 4.740 0.000 0.000 0.249 127 N C -0.737 174.598 175.510 -0.291 0.000 1.103 127 N CA 0.542 53.342 53.050 -0.418 0.000 0.707 127 N CB -0.730 37.450 38.487 -0.512 0.000 1.043 127 N HN 0.550 nan 8.380 nan 0.000 0.553 128 S N 0.718 116.232 115.700 -0.309 0.000 2.562 128 S HA 0.037 4.507 4.470 0.000 0.000 0.281 128 S C 1.071 175.430 174.600 -0.401 0.000 1.333 128 S CA -0.064 57.907 58.200 -0.382 0.000 1.052 128 S CB 0.628 63.467 63.200 -0.602 0.000 0.884 128 S HN 0.333 nan 8.310 nan 0.000 0.506 129 D N 3.362 123.575 120.400 -0.312 0.000 2.369 129 D HA 0.066 4.706 4.640 0.000 0.000 0.211 129 D C 0.817 176.976 176.300 -0.234 0.000 1.077 129 D CA -0.183 53.679 54.000 -0.231 0.000 0.842 129 D CB 0.119 40.833 40.800 -0.142 0.000 0.947 129 D HN 0.375 nan 8.370 nan 0.000 0.509 130 K N 0.454 120.644 120.400 -0.349 0.000 2.211 130 K HA 0.060 4.380 4.320 0.000 0.000 0.203 130 K C 0.605 177.165 176.600 -0.067 0.000 1.050 130 K CA 0.643 56.809 56.287 -0.201 0.000 0.945 130 K CB -0.121 32.293 32.500 -0.143 0.000 0.732 130 K HN 0.402 nan 8.250 nan 0.000 0.451 131 F N -2.153 117.781 119.950 -0.027 0.000 2.807 131 F HA 0.424 4.951 4.527 0.000 0.000 0.316 131 F C -0.985 174.802 175.800 -0.022 0.000 1.162 131 F CA -1.673 56.310 58.000 -0.029 0.000 0.910 131 F CB 0.371 39.349 39.000 -0.037 0.000 1.314 131 F HN -0.339 nan 8.300 nan 0.000 0.454 132 N N 0.556 119.408 118.700 0.253 0.000 2.492 132 N HA 0.461 5.201 4.740 0.000 0.000 0.289 132 N C -1.863 173.778 175.510 0.219 0.000 1.133 132 N CA -0.198 52.940 53.050 0.147 0.000 0.961 132 N CB 1.978 40.484 38.487 0.033 0.000 1.186 132 N HN 0.651 nan 8.380 nan 0.000 0.493 133 F N 0.921 120.889 119.950 0.030 0.000 2.495 133 F HA 0.440 4.967 4.527 0.000 0.000 0.327 133 F C -0.691 175.056 175.800 -0.088 0.000 1.103 133 F CA -0.703 57.292 58.000 -0.008 0.000 0.949 133 F CB 1.178 40.228 39.000 0.084 0.000 1.142 133 F HN 0.047 nan 8.300 nan 0.000 0.457 134 V N 7.003 126.510 119.914 -0.680 0.000 2.409 134 V HA 0.388 4.508 4.120 0.000 0.000 0.291 134 V C -0.955 175.015 176.094 -0.206 0.000 1.020 134 V CA -0.769 61.334 62.300 -0.330 0.000 0.848 134 V CB 1.482 33.056 31.823 -0.415 0.000 0.990 134 V HN 0.611 nan 8.190 nan 0.000 0.430 135 L N 9.642 130.959 121.223 0.158 0.000 2.287 135 L HA 0.763 5.103 4.340 0.000 0.000 0.287 135 L C -2.182 174.839 176.870 0.252 0.000 1.022 135 L CA -1.144 53.876 54.840 0.299 0.000 0.814 135 L CB 1.776 44.047 42.059 0.353 0.000 1.217 135 L HN 0.459 nan 8.230 nan 0.000 0.420 136 P HA 0.373 nan 4.420 nan 0.000 0.314 136 P C -0.728 176.756 177.300 0.307 0.000 1.306 136 P CA -0.436 62.813 63.100 0.248 0.000 0.782 136 P CB 1.404 33.228 31.700 0.207 0.000 1.337 137 K N -1.783 118.740 120.400 0.204 0.000 2.354 137 K HA 0.128 4.449 4.320 0.000 0.000 0.194 137 K C 0.470 177.077 176.600 0.011 0.000 1.038 137 K CA 0.667 57.059 56.287 0.176 0.000 1.052 137 K CB -0.068 32.506 32.500 0.124 0.000 0.861 137 K HN 0.567 nan 8.250 nan 0.000 0.535 138 H N 0.061 119.058 119.070 -0.121 0.000 2.954 138 H HA 0.165 4.721 4.556 0.000 0.000 0.361 138 H C -0.106 175.119 175.328 -0.172 0.000 1.122 138 H CA -0.094 55.816 56.048 -0.230 0.000 1.217 138 H CB 1.850 31.531 29.762 -0.135 0.000 1.776 138 H HN -0.217 nan 8.280 nan 0.000 0.533 139 E N 2.085 122.189 120.200 -0.158 0.000 2.209 139 E HA -0.193 4.158 4.350 0.000 0.000 0.196 139 E C 1.825 178.477 176.600 0.087 0.000 0.993 139 E CA 1.260 57.654 56.400 -0.009 0.000 0.819 139 E CB 0.206 29.851 29.700 -0.092 0.000 0.745 139 E HN 0.592 nan 8.360 nan 0.000 0.477 140 Q N -0.227 119.746 119.800 0.289 0.000 2.124 140 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 140 Q C 2.148 178.077 176.000 -0.118 0.000 0.977 140 Q CA 1.518 57.300 55.803 -0.036 0.000 0.850 140 Q CB -0.278 28.369 28.738 -0.153 0.000 0.901 140 Q HN 0.403 nan 8.270 nan 0.000 0.429 141 G N 0.336 109.144 108.800 0.014 0.000 2.421 141 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 141 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 141 G C 1.451 176.348 174.900 -0.006 0.000 1.171 141 G CA 0.921 46.035 45.100 0.023 0.000 0.775 141 G HN 0.489 nan 8.290 nan 0.000 0.543 142 A N 0.911 123.748 122.820 0.028 0.000 1.908 142 A HA 0.109 4.429 4.320 0.000 0.000 0.218 142 A C 2.704 180.217 177.584 -0.117 0.000 1.181 142 A CA 2.234 54.290 52.037 0.032 0.000 0.627 142 A CB -1.139 17.933 19.000 0.120 0.000 0.818 142 A HN 0.549 nan 8.150 nan 0.000 0.445 143 G N -1.232 107.482 108.800 -0.142 0.000 2.433 143 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 143 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 143 G C 1.476 176.249 174.900 -0.212 0.000 1.186 143 G CA 1.128 46.103 45.100 -0.207 0.000 0.779 143 G HN 0.647 nan 8.290 nan 0.000 0.543 144 H N -0.064 118.948 119.070 -0.097 0.000 2.457 144 H HA 0.117 4.673 4.556 0.000 0.000 0.294 144 H C 2.664 177.816 175.328 -0.293 0.000 1.064 144 H CA 0.969 56.938 56.048 -0.133 0.000 1.330 144 H CB -0.263 29.422 29.762 -0.128 0.000 1.395 144 H HN 0.340 nan 8.280 nan 0.000 0.541 145 M N -0.109 119.344 119.600 -0.246 0.000 2.132 145 M HA -0.089 4.391 4.480 0.000 0.000 0.263 145 M C 2.674 178.475 176.300 -0.832 0.000 1.065 145 M CA 1.438 56.463 55.300 -0.458 0.000 1.122 145 M CB -0.122 32.218 32.600 -0.434 0.000 1.365 145 M HN 0.243 nan 8.290 nan 0.000 0.411 146 A N 0.161 122.392 122.820 -0.982 0.000 1.933 146 A HA -0.179 4.141 4.320 0.000 0.000 0.218 146 A C 1.901 179.357 177.584 -0.214 0.000 1.175 146 A CA 1.688 53.261 52.037 -0.774 0.000 0.628 146 A CB -0.657 18.106 19.000 -0.394 0.000 0.814 146 A HN 0.536 nan 8.150 nan 0.000 0.444 147 E N -0.708 119.416 120.200 -0.126 0.000 2.072 147 E HA -0.108 4.242 4.350 0.000 0.000 0.191 147 E C 2.194 178.801 176.600 0.011 0.000 0.985 147 E CA 0.749 57.164 56.400 0.025 0.000 0.801 147 E CB -0.378 29.435 29.700 0.188 0.000 0.750 147 E HN 0.607 nan 8.360 nan 0.000 0.452 148 G N 0.696 109.443 108.800 -0.088 0.000 2.440 148 G HA2 -0.319 3.641 3.960 0.000 0.000 0.218 148 G HA3 -0.319 3.641 3.960 0.000 0.000 0.218 148 G C 1.413 176.314 174.900 0.001 0.000 1.154 148 G CA 0.978 46.026 45.100 -0.087 0.000 0.767 148 G HN 0.286 nan 8.290 nan 0.000 0.552 149 Y N 2.037 122.273 120.300 -0.105 0.000 2.128 149 Y HA -0.067 4.484 4.550 0.000 0.000 0.284 149 Y C 2.940 178.853 175.900 0.022 0.000 1.154 149 Y CA 1.745 59.853 58.100 0.012 0.000 1.149 149 Y CB -0.473 38.050 38.460 0.104 0.000 0.976 149 Y HN 0.254 nan 8.280 nan 0.000 0.505 150 A N 0.851 123.715 122.820 0.073 0.000 1.883 150 A HA -0.196 4.124 4.320 0.000 0.000 0.217 150 A C 2.297 179.840 177.584 -0.068 0.000 1.186 150 A CA 1.771 53.806 52.037 -0.004 0.000 0.624 150 A CB -0.604 18.440 19.000 0.074 0.000 0.822 150 A HN 0.424 nan 8.150 nan 0.000 0.444 151 R N -0.504 119.985 120.500 -0.018 0.000 2.105 151 R HA -0.098 4.242 4.340 0.000 0.000 0.239 151 R C 2.281 178.581 176.300 -0.000 0.000 1.135 151 R CA 1.524 57.632 56.100 0.014 0.000 0.967 151 R CB -0.954 29.367 30.300 0.034 0.000 0.861 151 R HN 0.554 nan 8.270 nan 0.000 0.442 152 A N 0.200 122.983 122.820 -0.061 0.000 2.030 152 A HA -0.056 4.264 4.320 0.000 0.000 0.215 152 A C 2.148 179.616 177.584 -0.192 0.000 1.164 152 A CA 1.333 53.333 52.037 -0.062 0.000 0.697 152 A CB -0.107 18.878 19.000 -0.025 0.000 0.827 152 A HN 0.417 nan 8.150 nan 0.000 0.457 153 S N -2.603 112.902 115.700 -0.325 0.000 2.475 153 S HA 0.393 4.863 4.470 0.000 0.000 0.224 153 S C 1.552 175.966 174.600 -0.310 0.000 1.042 153 S CA 1.245 59.220 58.200 -0.376 0.000 0.935 153 S CB 0.008 62.812 63.200 -0.660 0.000 0.801 153 S HN 1.809 nan 8.310 nan 0.000 0.509 154 G N 1.222 109.859 108.800 -0.271 0.000 2.176 154 G HA2 -0.221 3.739 3.960 0.000 0.000 0.253 154 G HA3 -0.221 3.739 3.960 0.000 0.000 0.253 154 G C -0.094 174.746 174.900 -0.100 0.000 0.979 154 G CA 0.275 45.258 45.100 -0.195 0.000 0.641 154 G HN 0.628 nan 8.290 nan 0.000 0.530 155 K N 1.440 121.781 120.400 -0.099 0.000 2.118 155 K HA 0.535 4.855 4.320 0.000 0.000 0.254 155 K C -2.430 174.252 176.600 0.136 0.000 0.961 155 K CA -1.955 54.357 56.287 0.042 0.000 0.876 155 K CB 1.988 34.553 32.500 0.108 0.000 1.077 155 K HN 0.055 nan 8.250 nan 0.000 0.440 156 P HA -0.004 nan 4.420 nan 0.000 0.271 156 P C -0.345 177.119 177.300 0.273 0.000 1.216 156 P CA -0.213 62.991 63.100 0.174 0.000 0.776 156 P CB 0.653 32.427 31.700 0.123 0.000 0.881 157 G N 2.085 111.010 108.800 0.209 0.000 2.339 157 G HA2 0.420 4.380 3.960 0.000 0.000 0.287 157 G HA3 0.420 4.380 3.960 0.000 0.000 0.287 157 G C -0.498 174.468 174.900 0.111 0.000 1.163 157 G CA -0.381 44.854 45.100 0.225 0.000 0.872 157 G HN 0.354 nan 8.290 nan 0.000 0.464 158 V N 3.127 123.133 119.914 0.155 0.000 2.398 158 V HA 0.393 4.513 4.120 0.000 0.000 0.286 158 V C 0.013 176.226 176.094 0.199 0.000 1.026 158 V CA -0.600 61.794 62.300 0.157 0.000 0.868 158 V CB 1.453 33.396 31.823 0.201 0.000 0.982 158 V HN 0.504 nan 8.190 nan 0.000 0.443 159 V N 6.025 126.052 119.914 0.189 0.000 2.555 159 V HA 0.557 4.677 4.120 0.000 0.000 0.302 159 V C -0.613 175.655 176.094 0.290 0.000 1.038 159 V CA -0.652 61.761 62.300 0.189 0.000 0.887 159 V CB 1.861 33.736 31.823 0.087 0.000 0.991 159 V HN 0.661 nan 8.190 nan 0.000 0.434 160 L N 6.987 128.375 121.223 0.274 0.000 2.415 160 L HA 0.788 5.128 4.340 0.000 0.000 0.268 160 L C -0.479 176.599 176.870 0.346 0.000 0.984 160 L CA -0.076 54.941 54.840 0.296 0.000 0.853 160 L CB 1.500 43.682 42.059 0.204 0.000 1.215 160 L HN 0.593 nan 8.230 nan 0.000 0.419 161 V N 0.724 120.794 119.914 0.260 0.000 3.155 161 V HA 0.737 4.857 4.120 0.000 0.000 0.313 161 V C 0.075 176.261 176.094 0.153 0.000 1.162 161 V CA -0.469 61.965 62.300 0.223 0.000 1.048 161 V CB 1.568 33.472 31.823 0.136 0.000 1.092 161 V HN 0.634 nan 8.190 nan 0.000 0.447 162 T N 0.650 115.259 114.554 0.091 0.000 2.814 162 T HA 0.503 4.853 4.350 0.000 0.000 0.284 162 T C 0.655 175.349 174.700 -0.009 0.000 0.998 162 T CA 0.402 62.520 62.100 0.031 0.000 0.935 162 T CB 1.045 69.908 68.868 -0.009 0.000 1.167 162 T HN 1.559 nan 8.240 nan 0.000 0.545 163 S N -0.087 115.588 115.700 -0.042 0.000 2.633 163 S HA 0.561 5.031 4.470 0.000 0.000 0.257 163 S C 1.363 175.899 174.600 -0.107 0.000 1.265 163 S CA -0.019 58.140 58.200 -0.068 0.000 0.980 163 S CB -0.360 62.794 63.200 -0.078 0.000 1.017 163 S HN 1.561 nan 8.310 nan 0.000 0.577 164 G N 1.559 110.288 108.800 -0.118 0.000 2.685 164 G HA2 -0.302 3.658 3.960 0.000 0.000 0.329 164 G HA3 -0.302 3.658 3.960 0.000 0.000 0.329 164 G C -0.926 173.901 174.900 -0.120 0.000 1.271 164 G CA 0.523 45.540 45.100 -0.137 0.000 1.003 164 G HN 0.754 nan 8.290 nan 0.000 0.549 165 P HA -0.082 nan 4.420 nan 0.000 0.218 165 P C 1.947 179.169 177.300 -0.130 0.000 1.148 165 P CA 2.696 65.719 63.100 -0.128 0.000 0.822 165 P CB -0.743 30.872 31.700 -0.142 0.000 0.784 166 G N 0.729 109.459 108.800 -0.117 0.000 2.446 166 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 166 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 166 G C 1.854 176.715 174.900 -0.066 0.000 1.168 166 G CA 1.206 46.252 45.100 -0.090 0.000 0.771 166 G HN 0.385 nan 8.290 nan 0.000 0.551 167 A N 0.703 123.487 122.820 -0.060 0.000 1.897 167 A HA 0.003 4.323 4.320 0.000 0.000 0.215 167 A C 2.652 180.199 177.584 -0.061 0.000 1.181 167 A CA 2.658 54.663 52.037 -0.052 0.000 0.620 167 A CB -1.084 17.883 19.000 -0.055 0.000 0.821 167 A HN 0.534 nan 8.150 nan 0.000 0.443 168 T N -1.924 112.588 114.554 -0.069 0.000 2.915 168 T HA -0.116 4.234 4.350 0.000 0.000 0.269 168 T C 1.446 176.117 174.700 -0.048 0.000 1.071 168 T CA 1.412 63.475 62.100 -0.062 0.000 1.132 168 T CB -0.519 68.311 68.868 -0.063 0.000 0.878 168 T HN 0.330 nan 8.240 nan 0.000 0.479 169 N N 1.595 120.262 118.700 -0.054 0.000 2.520 169 N HA -0.002 4.738 4.740 0.000 0.000 0.185 169 N C 1.565 177.073 175.510 -0.003 0.000 1.068 169 N CA 0.970 54.014 53.050 -0.010 0.000 0.911 169 N CB 0.031 38.458 38.487 -0.100 0.000 0.961 169 N HN 0.662 nan 8.380 nan 0.000 0.446 170 V N -3.477 116.412 119.914 -0.042 0.000 3.376 170 V HA 0.234 4.354 4.120 0.000 0.000 0.313 170 V C 1.640 177.690 176.094 -0.073 0.000 1.393 170 V CA 0.006 62.268 62.300 -0.064 0.000 1.125 170 V CB -0.151 31.639 31.823 -0.055 0.000 1.037 170 V HN -0.170 nan 8.190 nan 0.000 0.440 171 V N 1.250 121.127 119.914 -0.061 0.000 2.358 171 V HA -0.207 3.913 4.120 0.000 0.000 0.246 171 V C 2.755 178.816 176.094 -0.055 0.000 1.047 171 V CA 2.955 65.217 62.300 -0.064 0.000 1.035 171 V CB -0.923 30.863 31.823 -0.061 0.000 0.658 171 V HN 0.667 nan 8.190 nan 0.000 0.452 172 T N 0.255 114.782 114.554 -0.046 0.000 2.708 172 T HA -0.107 4.243 4.350 0.000 0.000 0.266 172 T C -0.042 174.658 174.700 0.000 0.000 1.037 172 T CA 1.984 64.076 62.100 -0.013 0.000 1.146 172 T CB -1.116 67.761 68.868 0.015 0.000 0.865 172 T HN 0.421 nan 8.240 nan 0.000 0.435 173 P HA 0.009 nan 4.420 nan 0.000 0.216 173 P C 1.615 178.911 177.300 -0.007 0.000 1.150 173 P CA 1.115 64.142 63.100 -0.121 0.000 0.837 173 P CB -0.118 31.380 31.700 -0.338 0.000 0.786 174 M N -1.210 118.372 119.600 -0.030 0.000 2.099 174 M HA -0.121 4.359 4.480 0.000 0.000 0.262 174 M C 2.181 178.507 176.300 0.043 0.000 1.067 174 M CA 2.014 57.313 55.300 -0.002 0.000 1.124 174 M CB -0.954 31.620 32.600 -0.043 0.000 1.353 174 M HN -0.100 nan 8.290 nan 0.000 0.410 175 A N 0.049 122.875 122.820 0.009 0.000 1.940 175 A HA -0.232 4.088 4.320 0.000 0.000 0.219 175 A C 1.922 179.558 177.584 0.087 0.000 1.176 175 A CA 2.040 54.094 52.037 0.028 0.000 0.631 175 A CB -0.897 18.092 19.000 -0.018 0.000 0.814 175 A HN 0.563 nan 8.150 nan 0.000 0.446 176 D N -0.034 120.405 120.400 0.066 0.000 2.117 176 D HA -0.060 4.580 4.640 0.000 0.000 0.198 176 D C 2.103 178.426 176.300 0.037 0.000 0.982 176 D CA 1.343 55.366 54.000 0.038 0.000 0.828 176 D CB -0.067 40.785 40.800 0.086 0.000 0.967 176 D HN 0.333 nan 8.370 nan 0.000 0.464 177 A N 0.060 122.926 122.820 0.077 0.000 1.969 177 A HA -0.123 4.197 4.320 0.000 0.000 0.218 177 A C 2.057 179.687 177.584 0.076 0.000 1.169 177 A CA 0.689 52.765 52.037 0.064 0.000 0.635 177 A CB -0.983 18.057 19.000 0.066 0.000 0.810 177 A HN 0.360 nan 8.150 nan 0.000 0.445 178 F N 0.875 120.809 119.950 -0.027 0.000 2.146 178 F HA -0.041 4.486 4.527 0.000 0.000 0.298 178 F C 2.516 178.299 175.800 -0.029 0.000 1.096 178 F CA 1.136 59.122 58.000 -0.024 0.000 1.275 178 F CB -0.296 38.689 39.000 -0.024 0.000 1.008 178 F HN 0.246 nan 8.300 nan 0.000 0.480 179 A N -0.576 122.311 122.820 0.112 0.000 1.898 179 A HA -0.162 4.158 4.320 0.000 0.000 0.216 179 A C 1.613 179.149 177.584 -0.080 0.000 1.181 179 A CA 1.953 53.995 52.037 0.009 0.000 0.620 179 A CB -0.707 18.305 19.000 0.019 0.000 0.819 179 A HN 0.394 nan 8.150 nan 0.000 0.442 180 D N -1.109 119.243 120.400 -0.081 0.000 2.340 180 D HA 0.294 4.934 4.640 0.000 0.000 0.217 180 D C 1.033 177.278 176.300 -0.092 0.000 1.081 180 D CA 0.853 54.795 54.000 -0.097 0.000 0.842 180 D CB -0.068 40.662 40.800 -0.116 0.000 0.934 180 D HN 0.525 nan 8.370 nan 0.000 0.511 181 G N 1.729 110.459 108.800 -0.116 0.000 2.338 181 G HA2 -0.292 3.668 3.960 0.000 0.000 0.296 181 G HA3 -0.292 3.668 3.960 0.000 0.000 0.296 181 G C 0.131 174.998 174.900 -0.056 0.000 1.040 181 G CA -0.111 44.922 45.100 -0.111 0.000 1.004 181 G HN 0.366 nan 8.290 nan 0.000 0.509 182 I N 1.743 122.295 120.570 -0.031 0.000 2.336 182 I HA 0.292 4.463 4.170 0.000 0.000 0.292 182 I C -1.623 174.496 176.117 0.004 0.000 0.991 182 I CA -2.627 58.671 61.300 -0.002 0.000 1.227 182 I CB 1.836 39.848 38.000 0.020 0.000 1.366 182 I HN -0.026 nan 8.210 nan 0.000 0.466 183 P HA 0.097 nan 4.420 nan 0.000 0.266 183 P C -0.940 176.360 177.300 -0.001 0.000 1.215 183 P CA -0.029 63.073 63.100 0.002 0.000 0.763 183 P CB 0.943 32.653 31.700 0.017 0.000 0.806 184 M N 3.930 123.508 119.600 -0.038 0.000 2.322 184 M HA 0.316 4.796 4.480 0.000 0.000 0.285 184 M C -1.995 174.209 176.300 -0.160 0.000 1.119 184 M CA -0.785 54.476 55.300 -0.065 0.000 0.953 184 M CB 2.326 34.908 32.600 -0.030 0.000 1.701 184 M HN -0.075 nan 8.290 nan 0.000 0.479 185 V N 5.214 124.974 119.914 -0.256 0.000 2.326 185 V HA 0.444 4.564 4.120 0.000 0.000 0.281 185 V C -0.659 175.196 176.094 -0.398 0.000 1.015 185 V CA -0.684 61.344 62.300 -0.454 0.000 0.823 185 V CB 1.459 32.782 31.823 -0.833 0.000 1.009 185 V HN 0.667 nan 8.190 nan 0.000 0.436 186 V N 5.943 125.633 119.914 -0.373 0.000 2.364 186 V HA 0.463 4.583 4.120 0.000 0.000 0.272 186 V C -0.416 175.473 176.094 -0.341 0.000 1.036 186 V CA -0.298 61.860 62.300 -0.236 0.000 0.880 186 V CB 1.026 32.771 31.823 -0.130 0.000 0.991 186 V HN 0.646 nan 8.190 nan 0.000 0.460 187 F N 3.188 123.169 119.950 0.052 0.000 2.404 187 F HA 0.553 5.081 4.527 0.000 0.000 0.354 187 F C 0.743 176.554 175.800 0.018 0.000 1.122 187 F CA -0.477 57.556 58.000 0.055 0.000 1.080 187 F CB 1.921 40.982 39.000 0.102 0.000 1.131 187 F HN 0.502 nan 8.300 nan 0.000 0.471 188 T N 0.308 114.947 114.554 0.142 0.000 2.824 188 T HA 0.689 5.039 4.350 0.000 0.000 0.282 188 T C 0.174 174.910 174.700 0.060 0.000 0.993 188 T CA -0.942 61.204 62.100 0.077 0.000 0.967 188 T CB 1.455 70.331 68.868 0.012 0.000 0.960 188 T HN 0.752 nan 8.240 nan 0.000 0.441 189 G N 1.319 110.148 108.800 0.048 0.000 2.594 189 G HA2 0.485 4.445 3.960 0.000 0.000 0.243 189 G HA3 0.485 4.445 3.960 0.000 0.000 0.243 189 G C -0.615 174.286 174.900 0.001 0.000 1.229 189 G CA -0.250 44.864 45.100 0.024 0.000 0.843 189 G HN 0.856 nan 8.290 nan 0.000 0.578 190 Q N -0.685 119.113 119.800 -0.003 0.000 2.456 190 Q HA 0.483 4.823 4.340 0.000 0.000 0.284 190 Q C -0.101 175.893 176.000 -0.009 0.000 1.061 190 Q CA -0.746 55.048 55.803 -0.015 0.000 0.799 190 Q CB 1.994 30.724 28.738 -0.012 0.000 1.445 190 Q HN 0.948 nan 8.270 nan 0.000 0.411 191 V N 0.373 120.280 119.914 -0.013 0.000 3.237 191 V HA 0.530 4.650 4.120 0.000 0.000 0.305 191 V C -2.204 173.895 176.094 0.008 0.000 1.096 191 V CA -1.381 60.921 62.300 0.004 0.000 1.130 191 V CB -0.292 31.537 31.823 0.009 0.000 1.048 191 V HN 0.791 nan 8.190 nan 0.000 0.484 192 P HA 0.058 nan 4.420 nan 0.000 0.266 192 P C 1.212 178.518 177.300 0.010 0.000 1.193 192 P CA 0.960 64.068 63.100 0.013 0.000 0.770 192 P CB 0.298 32.008 31.700 0.016 0.000 0.836 193 T N -1.483 113.076 114.554 0.009 0.000 2.849 193 T HA -0.185 4.165 4.350 0.000 0.000 0.270 193 T C 1.485 176.189 174.700 0.007 0.000 1.066 193 T CA 1.662 63.766 62.100 0.007 0.000 1.130 193 T CB -1.077 67.797 68.868 0.009 0.000 0.864 193 T HN 0.442 nan 8.240 nan 0.000 0.481 194 S N 0.638 116.344 115.700 0.009 0.000 2.607 194 S HA 0.513 4.983 4.470 0.000 0.000 0.224 194 S C 1.840 176.445 174.600 0.009 0.000 0.969 194 S CA 0.093 58.298 58.200 0.008 0.000 0.927 194 S CB -0.210 62.995 63.200 0.008 0.000 0.772 194 S HN 0.749 nan 8.310 nan 0.000 0.533 195 A N 0.703 123.530 122.820 0.011 0.000 2.287 195 A HA 0.509 4.830 4.320 0.000 0.000 0.214 195 A C 0.617 178.207 177.584 0.010 0.000 1.228 195 A CA -0.451 51.594 52.037 0.015 0.000 0.939 195 A CB -0.061 18.954 19.000 0.025 0.000 0.992 195 A HN 0.502 nan 8.150 nan 0.000 0.502 196 I N 0.815 121.387 120.570 0.004 0.000 2.683 196 I HA 0.254 4.424 4.170 0.000 0.000 0.286 196 I C 1.523 177.638 176.117 -0.004 0.000 1.175 196 I CA 1.531 62.828 61.300 -0.003 0.000 1.429 196 I CB 0.416 38.411 38.000 -0.007 0.000 1.371 196 I HN 0.487 nan 8.210 nan 0.000 0.569 197 G N 3.903 112.699 108.800 -0.007 0.000 2.157 197 G HA2 -0.268 3.692 3.960 0.000 0.000 0.248 197 G HA3 -0.268 3.692 3.960 0.000 0.000 0.248 197 G C 0.575 175.474 174.900 -0.003 0.000 0.979 197 G CA 0.390 45.486 45.100 -0.007 0.000 0.650 197 G HN 0.781 nan 8.290 nan 0.000 0.529 198 T N -2.146 112.409 114.554 0.002 0.000 3.132 198 T HA 0.418 4.768 4.350 0.000 0.000 0.274 198 T C 0.470 175.176 174.700 0.010 0.000 1.011 198 T CA 0.810 62.914 62.100 0.006 0.000 0.899 198 T CB 0.238 69.112 68.868 0.010 0.000 1.089 198 T HN 0.487 nan 8.240 nan 0.000 0.543 199 D N 1.251 121.654 120.400 0.006 0.000 2.699 199 D HA -0.123 4.517 4.640 0.000 0.000 0.239 199 D C 0.489 176.806 176.300 0.028 0.000 1.136 199 D CA 0.888 54.893 54.000 0.009 0.000 0.668 199 D CB -1.604 39.201 40.800 0.009 0.000 1.060 199 D HN 0.846 nan 8.370 nan 0.000 0.429 200 A N -0.044 122.794 122.820 0.031 0.000 2.327 200 A HA 0.414 4.734 4.320 0.000 0.000 0.255 200 A C 0.365 178.009 177.584 0.101 0.000 1.099 200 A CA -0.423 51.655 52.037 0.067 0.000 0.801 200 A CB 0.269 19.302 19.000 0.056 0.000 1.062 200 A HN 0.210 nan 8.150 nan 0.000 0.496 201 F N 1.013 120.953 119.950 -0.016 0.000 2.590 201 F HA 0.127 4.654 4.527 0.000 0.000 0.389 201 F C 1.213 177.002 175.800 -0.019 0.000 1.049 201 F CA 1.121 59.110 58.000 -0.017 0.000 1.199 201 F CB -0.385 38.604 39.000 -0.017 0.000 1.058 201 F HN 0.774 nan 8.300 nan 0.000 0.556 202 Q N 1.994 121.450 119.800 -0.573 0.000 2.481 202 Q HA -0.311 4.029 4.340 0.000 0.000 0.272 202 Q C -0.164 175.692 176.000 -0.241 0.000 1.157 202 Q CA 1.232 56.724 55.803 -0.519 0.000 0.935 202 Q CB -1.454 26.824 28.738 -0.767 0.000 1.338 202 Q HN 0.863 nan 8.270 nan 0.000 0.494 203 E N -0.006 120.111 120.200 -0.138 0.000 2.216 203 E HA 0.660 5.010 4.350 0.000 0.000 0.279 203 E C -0.837 175.718 176.600 -0.076 0.000 0.997 203 E CA 0.136 56.487 56.400 -0.082 0.000 0.817 203 E CB 1.140 30.816 29.700 -0.040 0.000 1.096 203 E HN 0.305 nan 8.360 nan 0.000 0.393 204 A N 3.642 126.420 122.820 -0.070 0.000 2.539 204 A HA 0.260 4.580 4.320 0.000 0.000 0.296 204 A C -1.063 176.486 177.584 -0.058 0.000 1.073 204 A CA -0.797 51.202 52.037 -0.065 0.000 0.700 204 A CB 1.698 20.654 19.000 -0.073 0.000 1.296 204 A HN 0.696 nan 8.150 nan 0.000 0.405 205 D N 2.387 122.754 120.400 -0.056 0.000 2.619 205 D HA 0.240 4.880 4.640 0.000 0.000 0.224 205 D C 1.128 177.388 176.300 -0.068 0.000 1.133 205 D CA 0.008 53.973 54.000 -0.057 0.000 1.017 205 D CB 0.080 40.848 40.800 -0.052 0.000 1.077 205 D HN 0.125 nan 8.370 nan 0.000 0.503 206 V N 2.064 121.935 119.914 -0.071 0.000 2.407 206 V HA -0.224 3.896 4.120 0.000 0.000 0.248 206 V C 2.540 178.575 176.094 -0.098 0.000 1.055 206 V CA 1.014 63.265 62.300 -0.081 0.000 1.049 206 V CB -0.260 31.518 31.823 -0.075 0.000 0.662 206 V HN 0.373 nan 8.190 nan 0.000 0.455 207 V N 0.935 120.787 119.914 -0.103 0.000 2.407 207 V HA -0.163 3.957 4.120 0.000 0.000 0.248 207 V C 2.534 178.557 176.094 -0.117 0.000 1.055 207 V CA 2.171 64.394 62.300 -0.128 0.000 1.049 207 V CB -1.152 30.593 31.823 -0.130 0.000 0.662 207 V HN 0.616 nan 8.190 nan 0.000 0.455 208 G N -0.476 108.267 108.800 -0.094 0.000 2.396 208 G HA2 -0.140 3.820 3.960 0.000 0.000 0.214 208 G HA3 -0.140 3.820 3.960 0.000 0.000 0.214 208 G C 1.579 176.424 174.900 -0.091 0.000 1.166 208 G CA 0.664 45.713 45.100 -0.085 0.000 0.793 208 G HN 0.454 nan 8.290 nan 0.000 0.533 209 I N 1.851 122.368 120.570 -0.089 0.000 2.163 209 I HA -0.192 3.978 4.170 0.000 0.000 0.243 209 I C 2.818 178.868 176.117 -0.111 0.000 1.085 209 I CA 1.684 62.929 61.300 -0.091 0.000 1.347 209 I CB -0.100 37.851 38.000 -0.082 0.000 1.044 209 I HN 0.333 nan 8.210 nan 0.000 0.408 210 S N 0.547 116.174 115.700 -0.122 0.000 2.593 210 S HA 0.101 4.571 4.470 0.000 0.000 0.217 210 S C 2.203 176.699 174.600 -0.173 0.000 0.966 210 S CA 0.348 58.461 58.200 -0.145 0.000 0.914 210 S CB -0.362 62.759 63.200 -0.132 0.000 0.776 210 S HN 0.407 nan 8.310 nan 0.000 0.523 211 R N 2.442 122.848 120.500 -0.157 0.000 2.083 211 R HA -0.073 4.267 4.340 0.000 0.000 0.237 211 R C 2.546 178.722 176.300 -0.207 0.000 1.137 211 R CA 2.252 58.260 56.100 -0.153 0.000 0.951 211 R CB -2.048 28.182 30.300 -0.116 0.000 0.851 211 R HN 0.873 nan 8.270 nan 0.000 0.434 212 S N -1.395 114.162 115.700 -0.240 0.000 2.561 212 S HA -0.002 4.469 4.470 0.000 0.000 0.225 212 S C 1.494 175.674 174.600 -0.700 0.000 0.977 212 S CA 0.811 58.805 58.200 -0.344 0.000 0.926 212 S CB -0.635 62.427 63.200 -0.229 0.000 0.769 212 S HN 0.611 nan 8.310 nan 0.000 0.533 213 C N 2.109 121.043 119.300 -0.610 0.000 3.000 213 C HA 0.469 4.929 4.460 0.000 0.000 0.286 213 C C 0.891 175.589 174.990 -0.486 0.000 1.343 213 C CA -0.287 58.315 59.018 -0.694 0.000 1.742 213 C CB -1.439 26.120 27.740 -0.302 0.000 2.200 213 C HN 0.753 nan 8.230 nan 0.000 0.621 214 T N -3.125 111.202 114.554 -0.378 0.000 2.916 214 T HA 0.365 4.715 4.350 0.000 0.000 0.305 214 T C 0.228 175.074 174.700 0.243 0.000 1.119 214 T CA -0.567 61.556 62.100 0.038 0.000 1.008 214 T CB 1.577 70.433 68.868 -0.021 0.000 1.129 214 T HN 0.085 nan 8.240 nan 0.000 0.480 215 K N -0.029 120.600 120.400 0.381 0.000 2.211 215 K HA 0.122 4.442 4.320 0.000 0.000 0.203 215 K C -0.135 176.672 176.600 0.346 0.000 1.050 215 K CA 0.834 57.336 56.287 0.359 0.000 0.945 215 K CB 0.137 32.771 32.500 0.223 0.000 0.732 215 K HN 0.684 nan 8.250 nan 0.000 0.451 216 W N 0.659 121.986 121.300 0.045 0.000 3.298 216 W HA 0.179 4.839 4.660 0.000 0.000 0.302 216 W C -2.184 174.322 176.519 -0.021 0.000 1.255 216 W CA -0.878 56.473 57.345 0.010 0.000 1.196 216 W CB 0.925 30.391 29.460 0.011 0.000 1.364 216 W HN 0.011 nan 8.180 nan 0.000 0.566 217 N N 2.926 121.175 118.700 -0.751 0.000 2.825 217 N HA 0.774 5.514 4.740 0.000 0.000 0.253 217 N C -2.290 172.533 175.510 -1.144 0.000 1.426 217 N CA -0.628 51.946 53.050 -0.794 0.000 0.851 217 N CB 2.263 40.522 38.487 -0.380 0.000 1.470 217 N HN 0.707 nan 8.380 nan 0.000 0.517 218 V N -0.743 118.701 119.914 -0.783 0.000 3.282 218 V HA 0.621 4.741 4.120 0.000 0.000 0.295 218 V C -1.751 174.183 176.094 -0.266 0.000 1.451 218 V CA -0.927 61.041 62.300 -0.553 0.000 1.062 218 V CB 2.189 33.634 31.823 -0.630 0.000 1.128 218 V HN 0.920 nan 8.190 nan 0.000 0.456 219 M N 3.791 123.301 119.600 -0.150 0.000 2.134 219 M HA 0.570 5.050 4.480 0.000 0.000 0.310 219 M C -1.320 174.972 176.300 -0.014 0.000 0.966 219 M CA -0.673 54.586 55.300 -0.068 0.000 0.922 219 M CB 1.514 34.079 32.600 -0.059 0.000 1.537 219 M HN 0.574 nan 8.290 nan 0.000 0.424 220 V N 6.827 126.757 119.914 0.027 0.000 2.450 220 V HA 0.033 4.153 4.120 0.000 0.000 0.281 220 V C 1.039 177.160 176.094 0.044 0.000 1.019 220 V CA 0.186 62.523 62.300 0.061 0.000 1.062 220 V CB 0.234 32.116 31.823 0.098 0.000 0.979 220 V HN 0.838 nan 8.190 nan 0.000 0.477 221 K N 2.773 123.199 120.400 0.044 0.000 2.314 221 K HA 0.132 4.452 4.320 0.000 0.000 0.198 221 K C 0.734 177.357 176.600 0.038 0.000 1.045 221 K CA 0.574 56.881 56.287 0.034 0.000 0.988 221 K CB 0.387 32.906 32.500 0.031 0.000 0.783 221 K HN 0.806 nan 8.250 nan 0.000 0.484 222 S N -1.547 114.183 115.700 0.049 0.000 2.570 222 S HA 0.210 4.680 4.470 0.000 0.000 0.270 222 S C 0.599 175.234 174.600 0.058 0.000 1.149 222 S CA -0.725 57.504 58.200 0.048 0.000 0.837 222 S CB 1.798 65.026 63.200 0.047 0.000 1.124 222 S HN -0.190 nan 8.310 nan 0.000 0.465 223 V N 1.301 121.246 119.914 0.052 0.000 2.594 223 V HA -0.094 4.026 4.120 0.000 0.000 0.253 223 V C 2.020 178.158 176.094 0.073 0.000 1.069 223 V CA 2.459 64.792 62.300 0.055 0.000 1.082 223 V CB -1.061 30.786 31.823 0.040 0.000 0.680 223 V HN 0.940 nan 8.190 nan 0.000 0.469 224 E N 0.905 121.149 120.200 0.074 0.000 2.153 224 E HA -0.223 4.127 4.350 0.000 0.000 0.194 224 E C 1.996 178.656 176.600 0.101 0.000 0.988 224 E CA 1.615 58.067 56.400 0.087 0.000 0.811 224 E CB -0.188 29.555 29.700 0.071 0.000 0.746 224 E HN 0.950 nan 8.360 nan 0.000 0.466 225 E N 0.127 120.386 120.200 0.098 0.000 2.474 225 E HA 0.000 4.350 4.350 0.000 0.000 0.195 225 E C 1.640 178.324 176.600 0.139 0.000 1.039 225 E CA -0.102 56.367 56.400 0.114 0.000 0.881 225 E CB -0.018 29.746 29.700 0.107 0.000 0.970 225 E HN 0.122 nan 8.360 nan 0.000 0.486 226 L N 2.125 123.427 121.223 0.132 0.000 1.989 226 L HA -0.046 4.294 4.340 0.000 0.000 0.211 226 L C -0.771 176.203 176.870 0.174 0.000 1.071 226 L CA 2.000 56.930 54.840 0.151 0.000 0.749 226 L CB -0.875 41.250 42.059 0.110 0.000 0.890 226 L HN 0.042 nan 8.230 nan 0.000 0.431 227 P HA -0.178 nan 4.420 nan 0.000 0.215 227 P C 1.896 179.305 177.300 0.181 0.000 1.153 227 P CA 1.268 64.485 63.100 0.195 0.000 0.853 227 P CB -0.120 31.750 31.700 0.284 0.000 0.788 228 L N -0.578 120.745 121.223 0.167 0.000 1.994 228 L HA -0.119 4.221 4.340 0.000 0.000 0.208 228 L C 2.188 179.173 176.870 0.192 0.000 1.071 228 L CA 2.012 56.943 54.840 0.151 0.000 0.745 228 L CB -0.914 41.223 42.059 0.131 0.000 0.892 228 L HN -0.229 nan 8.230 nan 0.000 0.431 229 R N 0.106 120.752 120.500 0.243 0.000 2.096 229 R HA -0.070 4.270 4.340 0.000 0.000 0.235 229 R C 2.317 178.850 176.300 0.388 0.000 1.127 229 R CA 1.857 58.166 56.100 0.348 0.000 0.968 229 R CB -1.087 29.407 30.300 0.324 0.000 0.861 229 R HN 0.495 nan 8.270 nan 0.000 0.440 230 I N 1.294 122.084 120.570 0.367 0.000 2.179 230 I HA -0.269 3.901 4.170 0.000 0.000 0.242 230 I C 1.804 178.179 176.117 0.430 0.000 1.088 230 I CA 1.140 62.723 61.300 0.470 0.000 1.357 230 I CB -0.382 37.848 38.000 0.383 0.000 1.051 230 I HN 0.131 nan 8.210 nan 0.000 0.409 231 N N 0.904 119.759 118.700 0.258 0.000 2.166 231 N HA -0.178 4.562 4.740 0.000 0.000 0.186 231 N C 1.706 177.301 175.510 0.143 0.000 1.019 231 N CA 1.320 54.476 53.050 0.176 0.000 0.856 231 N CB -0.229 38.316 38.487 0.096 0.000 0.993 231 N HN 0.475 nan 8.380 nan 0.000 0.426 232 E N 0.827 121.079 120.200 0.086 0.000 2.106 232 E HA -0.069 4.281 4.350 0.000 0.000 0.192 232 E C 1.989 178.492 176.600 -0.162 0.000 0.984 232 E CA 0.943 57.270 56.400 -0.122 0.000 0.806 232 E CB -0.059 29.479 29.700 -0.270 0.000 0.750 232 E HN 0.328 nan 8.360 nan 0.000 0.458 233 A N 1.070 123.953 122.820 0.106 0.000 1.858 233 A HA -0.180 4.140 4.320 0.000 0.000 0.216 233 A C 1.932 179.542 177.584 0.043 0.000 1.190 233 A CA 1.263 53.401 52.037 0.169 0.000 0.617 233 A CB -0.876 18.263 19.000 0.232 0.000 0.827 233 A HN 0.171 nan 8.150 nan 0.000 0.443 234 F N -0.009 119.974 119.950 0.055 0.000 2.171 234 F HA -0.132 4.395 4.527 0.000 0.000 0.300 234 F C 2.395 178.195 175.800 -0.000 0.000 1.090 234 F CA 1.778 59.801 58.000 0.038 0.000 1.293 234 F CB -0.232 38.800 39.000 0.053 0.000 1.013 234 F HN 0.449 nan 8.300 nan 0.000 0.486 235 E N 0.783 121.072 120.200 0.148 0.000 2.031 235 E HA -0.207 4.143 4.350 0.000 0.000 0.193 235 E C 2.279 178.868 176.600 -0.019 0.000 0.994 235 E CA 1.571 57.996 56.400 0.042 0.000 0.800 235 E CB -0.284 29.409 29.700 -0.011 0.000 0.752 235 E HN 0.410 nan 8.360 nan 0.000 0.447 236 I N 1.081 121.599 120.570 -0.087 0.000 2.286 236 I HA -0.242 3.928 4.170 0.000 0.000 0.248 236 I C 2.555 178.652 176.117 -0.033 0.000 1.115 236 I CA 1.015 62.251 61.300 -0.107 0.000 1.392 236 I CB -0.305 37.565 38.000 -0.217 0.000 1.065 236 I HN 0.202 nan 8.210 nan 0.000 0.418 237 A N 0.377 123.185 122.820 -0.020 0.000 2.015 237 A HA -0.163 4.157 4.320 0.000 0.000 0.219 237 A C 2.209 179.790 177.584 -0.005 0.000 1.163 237 A CA 2.047 54.072 52.037 -0.020 0.000 0.646 237 A CB -0.822 18.128 19.000 -0.083 0.000 0.806 237 A HN 0.525 nan 8.150 nan 0.000 0.448 238 T N -3.782 110.780 114.554 0.013 0.000 3.054 238 T HA 0.338 4.688 4.350 0.000 0.000 0.255 238 T C 0.641 175.346 174.700 0.009 0.000 1.035 238 T CA 0.380 62.494 62.100 0.023 0.000 0.941 238 T CB 0.066 68.969 68.868 0.057 0.000 1.026 238 T HN 0.123 nan 8.240 nan 0.000 0.533 239 S N 0.302 115.999 115.700 -0.004 0.000 2.745 239 S HA 0.699 5.169 4.470 0.000 0.000 0.292 239 S C 1.353 175.946 174.600 -0.013 0.000 1.133 239 S CA -0.127 58.067 58.200 -0.010 0.000 0.998 239 S CB 0.852 64.039 63.200 -0.022 0.000 1.087 239 S HN 0.743 nan 8.310 nan 0.000 0.551 240 G N 1.791 110.585 108.800 -0.010 0.000 2.684 240 G HA2 -0.323 3.637 3.960 0.000 0.000 0.332 240 G HA3 -0.323 3.637 3.960 0.000 0.000 0.332 240 G C 0.041 174.931 174.900 -0.017 0.000 1.306 240 G CA 0.619 45.711 45.100 -0.013 0.000 1.002 240 G HN 0.782 nan 8.290 nan 0.000 0.545 241 R N 1.804 122.284 120.500 -0.034 0.000 2.234 241 R HA 0.432 4.772 4.340 0.000 0.000 0.324 241 R C -2.257 174.011 176.300 -0.054 0.000 1.054 241 R CA -1.489 54.583 56.100 -0.048 0.000 0.912 241 R CB 0.679 30.932 30.300 -0.079 0.000 1.030 241 R HN 0.237 nan 8.270 nan 0.000 0.455 242 P HA 0.101 nan 4.420 nan 0.000 0.267 242 P C -0.591 176.678 177.300 -0.052 0.000 1.201 242 P CA 0.106 63.188 63.100 -0.030 0.000 0.775 242 P CB 0.869 32.560 31.700 -0.014 0.000 0.854 243 G N 0.929 109.712 108.800 -0.029 0.000 2.495 243 G HA2 0.492 4.452 3.960 0.000 0.000 0.294 243 G HA3 0.492 4.452 3.960 0.000 0.000 0.294 243 G C -3.318 171.601 174.900 0.031 0.000 1.397 243 G CA -0.931 44.158 45.100 -0.017 0.000 0.790 243 G HN 0.264 nan 8.290 nan 0.000 0.486 244 P HA 0.522 nan 4.420 nan 0.000 0.282 244 P C -0.343 177.001 177.300 0.073 0.000 1.249 244 P CA -0.363 62.773 63.100 0.058 0.000 0.806 244 P CB 1.863 33.610 31.700 0.078 0.000 0.984 245 V N 0.938 120.851 119.914 -0.002 0.000 3.007 245 V HA 0.718 4.838 4.120 0.000 0.000 0.311 245 V C -1.015 175.016 176.094 -0.105 0.000 1.120 245 V CA -1.181 61.136 62.300 0.029 0.000 0.980 245 V CB 2.057 33.962 31.823 0.137 0.000 1.033 245 V HN 0.510 nan 8.190 nan 0.000 0.429 246 L N 2.945 124.086 121.223 -0.137 0.000 2.386 246 L HA 0.884 5.224 4.340 0.000 0.000 0.271 246 L C -1.378 175.342 176.870 -0.249 0.000 0.993 246 L CA -0.616 54.097 54.840 -0.211 0.000 0.819 246 L CB 2.144 44.103 42.059 -0.167 0.000 1.294 246 L HN 0.684 nan 8.230 nan 0.000 0.414 247 V N 3.199 122.968 119.914 -0.241 0.000 2.376 247 V HA 0.319 4.439 4.120 0.000 0.000 0.287 247 V C -0.798 175.299 176.094 0.005 0.000 1.015 247 V CA -0.569 61.664 62.300 -0.110 0.000 0.834 247 V CB 1.433 33.263 31.823 0.010 0.000 1.001 247 V HN 0.667 nan 8.190 nan 0.000 0.428 248 D N 4.370 124.753 120.400 -0.029 0.000 2.312 248 D HA 0.457 5.097 4.640 0.000 0.000 0.252 248 D C -0.495 175.831 176.300 0.043 0.000 1.150 248 D CA 0.113 54.111 54.000 -0.003 0.000 0.870 248 D CB 1.075 41.846 40.800 -0.049 0.000 1.153 248 D HN 0.428 nan 8.370 nan 0.000 0.457 249 L N 5.916 127.173 121.223 0.058 0.000 2.337 249 L HA 0.383 4.723 4.340 0.000 0.000 0.269 249 L C -2.211 174.673 176.870 0.023 0.000 1.018 249 L CA -1.973 52.899 54.840 0.054 0.000 0.876 249 L CB 1.599 43.694 42.059 0.058 0.000 1.236 249 L HN 0.177 nan 8.230 nan 0.000 0.436 250 P HA -0.027 nan 4.420 nan 0.000 0.265 250 P C 0.536 177.842 177.300 0.009 0.000 1.193 250 P CA -0.029 63.077 63.100 0.010 0.000 0.765 250 P CB 0.847 32.553 31.700 0.011 0.000 0.823 251 K N 3.662 124.066 120.400 0.007 0.000 2.103 251 K HA -0.228 4.092 4.320 0.000 0.000 0.207 251 K C 1.129 177.733 176.600 0.006 0.000 1.048 251 K CA 2.060 58.350 56.287 0.005 0.000 0.930 251 K CB -0.306 32.200 32.500 0.010 0.000 0.716 251 K HN 0.497 nan 8.250 nan 0.000 0.444 252 D N 0.169 120.575 120.400 0.009 0.000 2.219 252 D HA -0.121 4.519 4.640 0.000 0.000 0.205 252 D C 1.881 178.188 176.300 0.011 0.000 0.970 252 D CA 0.739 54.745 54.000 0.010 0.000 0.851 252 D CB -0.314 40.492 40.800 0.011 0.000 0.943 252 D HN 0.144 nan 8.370 nan 0.000 0.488 253 V N 1.331 121.254 119.914 0.014 0.000 2.407 253 V HA -0.167 3.953 4.120 0.000 0.000 0.245 253 V C 2.792 178.895 176.094 0.015 0.000 1.041 253 V CA 2.150 64.462 62.300 0.020 0.000 1.040 253 V CB -0.769 31.072 31.823 0.029 0.000 0.671 253 V HN 0.480 nan 8.190 nan 0.000 0.455 254 T N -1.566 112.991 114.554 0.005 0.000 2.995 254 T HA 0.053 4.403 4.350 0.000 0.000 0.269 254 T C 1.677 176.370 174.700 -0.011 0.000 1.091 254 T CA 1.158 63.252 62.100 -0.010 0.000 1.128 254 T CB -0.094 68.752 68.868 -0.037 0.000 0.891 254 T HN 0.406 nan 8.240 nan 0.000 0.492 255 A N 1.255 124.073 122.820 -0.004 0.000 2.081 255 A HA 0.735 5.055 4.320 0.000 0.000 0.214 255 A C 1.584 179.168 177.584 0.001 0.000 1.158 255 A CA 0.275 52.310 52.037 -0.003 0.000 0.724 255 A CB -0.707 18.292 19.000 -0.002 0.000 0.826 255 A HN 0.752 nan 8.150 nan 0.000 0.463 256 A N 0.081 122.904 122.820 0.006 0.000 2.483 256 A HA 0.488 4.808 4.320 0.000 0.000 0.238 256 A C -0.015 177.576 177.584 0.011 0.000 1.070 256 A CA 0.081 52.124 52.037 0.011 0.000 0.770 256 A CB -0.197 18.813 19.000 0.017 0.000 1.008 256 A HN 0.394 nan 8.150 nan 0.000 0.497 257 I N 2.082 122.661 120.570 0.015 0.000 2.336 257 I HA 0.151 4.321 4.170 0.000 0.000 0.292 257 I C -0.151 175.983 176.117 0.029 0.000 0.991 257 I CA -0.710 60.601 61.300 0.018 0.000 1.227 257 I CB 1.486 39.496 38.000 0.017 0.000 1.366 257 I HN 0.600 nan 8.210 nan 0.000 0.466 258 L N 8.063 129.309 121.223 0.038 0.000 2.500 258 L HA 0.133 4.473 4.340 0.000 0.000 0.272 258 L C 1.123 178.025 176.870 0.054 0.000 1.149 258 L CA 0.691 55.565 54.840 0.057 0.000 0.897 258 L CB -0.075 42.037 42.059 0.088 0.000 1.178 258 L HN 0.527 nan 8.230 nan 0.000 0.473 259 R N 2.394 122.921 120.500 0.046 0.000 2.103 259 R HA 0.263 4.603 4.340 0.000 0.000 0.212 259 R C 0.019 176.342 176.300 0.039 0.000 1.107 259 R CA 0.446 56.569 56.100 0.038 0.000 1.025 259 R CB -0.255 30.063 30.300 0.030 0.000 0.929 259 R HN 0.619 nan 8.270 nan 0.000 0.456 260 N N 2.492 121.217 118.700 0.041 0.000 2.487 260 N HA 0.269 5.009 4.740 0.000 0.000 0.292 260 N C -2.395 173.143 175.510 0.046 0.000 1.108 260 N CA -1.460 51.613 53.050 0.038 0.000 0.956 260 N CB 1.135 39.642 38.487 0.033 0.000 1.176 260 N HN 0.003 nan 8.380 nan 0.000 0.484 261 P HA 0.211 nan 4.420 nan 0.000 0.272 261 P C -0.408 176.914 177.300 0.036 0.000 1.223 261 P CA -0.139 62.981 63.100 0.032 0.000 0.784 261 P CB 0.849 32.558 31.700 0.015 0.000 0.923 262 I N -2.430 118.162 120.570 0.036 0.000 2.846 262 I HA 0.566 4.736 4.170 0.000 0.000 0.307 262 I C -2.854 173.275 176.117 0.019 0.000 1.053 262 I CA -3.819 57.506 61.300 0.042 0.000 1.050 262 I CB 1.755 39.800 38.000 0.076 0.000 1.239 262 I HN -0.019 nan 8.210 nan 0.000 0.439 263 P HA 0.025 nan 4.420 nan 0.000 0.258 263 P C 0.487 177.786 177.300 -0.003 0.000 1.172 263 P CA 0.383 63.489 63.100 0.010 0.000 0.762 263 P CB 0.503 32.215 31.700 0.019 0.000 0.764 264 T N 3.186 117.727 114.554 -0.022 0.000 2.897 264 T HA -0.188 4.162 4.350 0.000 0.000 0.271 264 T C 1.527 176.210 174.700 -0.029 0.000 1.084 264 T CA 1.422 63.495 62.100 -0.045 0.000 1.123 264 T CB -0.288 68.550 68.868 -0.051 0.000 0.865 264 T HN 0.566 nan 8.240 nan 0.000 0.496 265 K N 1.666 122.060 120.400 -0.011 0.000 2.097 265 K HA -0.082 4.238 4.320 0.000 0.000 0.205 265 K C 2.181 178.787 176.600 0.010 0.000 1.050 265 K CA 1.680 57.965 56.287 -0.003 0.000 0.938 265 K CB -0.832 31.670 32.500 0.002 0.000 0.718 265 K HN 0.414 nan 8.250 nan 0.000 0.442 266 T N -1.315 113.254 114.554 0.024 0.000 3.160 266 T HA -0.009 4.341 4.350 0.000 0.000 0.257 266 T C 1.624 176.364 174.700 0.066 0.000 1.147 266 T CA 0.839 62.968 62.100 0.049 0.000 1.064 266 T CB -0.204 68.703 68.868 0.065 0.000 0.949 266 T HN 0.472 nan 8.240 nan 0.000 0.526 267 T N -0.882 113.693 114.554 0.036 0.000 3.001 267 T HA 0.427 4.777 4.350 0.000 0.000 0.251 267 T C 0.386 175.099 174.700 0.021 0.000 1.040 267 T CA -0.487 61.639 62.100 0.045 0.000 0.985 267 T CB -0.185 68.640 68.868 -0.071 0.000 1.011 267 T HN 0.357 nan 8.240 nan 0.000 0.509 268 L N 2.183 123.406 121.223 0.000 0.000 2.317 268 L HA 0.554 4.894 4.340 0.000 0.000 0.281 268 L C -2.256 174.612 176.870 -0.003 0.000 1.024 268 L CA -2.643 52.190 54.840 -0.012 0.000 0.810 268 L CB 1.400 43.444 42.059 -0.026 0.000 1.240 268 L HN -0.058 nan 8.230 nan 0.000 0.427 282 D N 0.244 120.683 120.400 0.065 0.000 2.219 282 D HA 0.133 4.774 4.640 0.000 0.000 0.205 282 D C 1.940 178.269 176.300 0.047 0.000 0.970 282 D CA 2.282 56.311 54.000 0.048 0.000 0.851 282 D CB 0.195 41.014 40.800 0.030 0.000 0.943 282 D HN 0.853 nan 8.370 nan 0.000 0.488 283 E N 0.653 120.892 120.200 0.065 0.000 2.072 283 E HA -0.146 4.204 4.350 0.000 0.000 0.191 283 E C 1.714 178.365 176.600 0.085 0.000 0.985 283 E CA 0.746 57.183 56.400 0.061 0.000 0.801 283 E CB -1.276 28.462 29.700 0.064 0.000 0.750 283 E HN 0.367 nan 8.360 nan 0.000 0.452 284 F N 1.236 121.174 119.950 -0.020 0.000 2.161 284 F HA -0.163 4.364 4.527 0.000 0.000 0.300 284 F C 2.310 178.088 175.800 -0.038 0.000 1.089 284 F CA 1.738 59.721 58.000 -0.028 0.000 1.282 284 F CB -0.370 38.613 39.000 -0.029 0.000 1.010 284 F HN 0.091 nan 8.300 nan 0.000 0.485 285 V N 0.086 119.897 119.914 -0.172 0.000 2.270 285 V HA -0.320 3.800 4.120 0.000 0.000 0.245 285 V C 2.532 178.487 176.094 -0.231 0.000 1.043 285 V CA 1.925 64.062 62.300 -0.271 0.000 1.014 285 V CB -0.694 31.067 31.823 -0.103 0.000 0.645 285 V HN 0.323 nan 8.190 nan 0.000 0.447 286 M N -0.284 119.245 119.600 -0.119 0.000 2.149 286 M HA -0.212 4.268 4.480 0.000 0.000 0.261 286 M C 2.263 178.497 176.300 -0.111 0.000 1.064 286 M CA 1.786 57.035 55.300 -0.086 0.000 1.102 286 M CB -1.064 31.514 32.600 -0.037 0.000 1.369 286 M HN 0.448 nan 8.290 nan 0.000 0.408 287 Q N -1.273 118.452 119.800 -0.126 0.000 2.084 287 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 287 Q C 2.065 177.951 176.000 -0.189 0.000 0.978 287 Q CA 1.980 57.713 55.803 -0.117 0.000 0.844 287 Q CB -0.127 28.575 28.738 -0.061 0.000 0.898 287 Q HN 0.464 nan 8.270 nan 0.000 0.426 288 S N 0.578 116.070 115.700 -0.347 0.000 2.383 288 S HA -0.069 4.401 4.470 0.000 0.000 0.227 288 S C 1.915 176.357 174.600 -0.264 0.000 1.026 288 S CA 0.763 58.734 58.200 -0.382 0.000 0.981 288 S CB -0.111 62.716 63.200 -0.622 0.000 0.818 288 S HN 0.288 nan 8.310 nan 0.000 0.472 289 I N 2.130 122.571 120.570 -0.215 0.000 2.252 289 I HA -0.191 3.979 4.170 0.000 0.000 0.245 289 I C 2.165 178.235 176.117 -0.077 0.000 1.102 289 I CA 0.867 62.094 61.300 -0.121 0.000 1.385 289 I CB -0.470 37.490 38.000 -0.066 0.000 1.064 289 I HN 0.258 nan 8.210 nan 0.000 0.414 290 N N 1.388 120.040 118.700 -0.081 0.000 2.058 290 N HA -0.177 4.563 4.740 0.000 0.000 0.191 290 N C 1.782 177.249 175.510 -0.072 0.000 1.037 290 N CA 1.399 54.410 53.050 -0.064 0.000 0.848 290 N CB -0.293 38.162 38.487 -0.052 0.000 1.021 290 N HN 0.380 nan 8.380 nan 0.000 0.422 291 K N 0.913 121.265 120.400 -0.080 0.000 2.097 291 K HA -0.009 4.311 4.320 0.000 0.000 0.206 291 K C 2.099 178.659 176.600 -0.066 0.000 1.049 291 K CA 1.090 57.335 56.287 -0.071 0.000 0.933 291 K CB -0.096 32.361 32.500 -0.071 0.000 0.717 291 K HN 0.138 nan 8.250 nan 0.000 0.442 292 A N 1.618 124.394 122.820 -0.074 0.000 1.877 292 A HA -0.112 4.208 4.320 0.000 0.000 0.216 292 A C 2.401 179.979 177.584 -0.009 0.000 1.186 292 A CA 1.808 53.826 52.037 -0.033 0.000 0.620 292 A CB -0.674 18.303 19.000 -0.038 0.000 0.822 292 A HN 0.323 nan 8.150 nan 0.000 0.443 293 A N 0.105 122.906 122.820 -0.032 0.000 1.902 293 A HA -0.193 4.127 4.320 0.000 0.000 0.217 293 A C 1.772 179.268 177.584 -0.147 0.000 1.181 293 A CA 1.895 53.888 52.037 -0.073 0.000 0.623 293 A CB -0.585 18.360 19.000 -0.092 0.000 0.818 293 A HN 0.488 nan 8.150 nan 0.000 0.443 294 D N -0.406 119.910 120.400 -0.139 0.000 2.097 294 D HA -0.123 4.517 4.640 0.000 0.000 0.195 294 D C 1.815 178.053 176.300 -0.104 0.000 0.989 294 D CA 1.171 55.079 54.000 -0.155 0.000 0.827 294 D CB -0.466 40.273 40.800 -0.102 0.000 0.966 294 D HN 0.323 nan 8.370 nan 0.000 0.456 295 L N 0.932 122.118 121.223 -0.062 0.000 2.131 295 L HA -0.078 4.262 4.340 0.000 0.000 0.210 295 L C 2.111 178.965 176.870 -0.027 0.000 1.092 295 L CA 1.132 55.951 54.840 -0.035 0.000 0.759 295 L CB -0.321 41.728 42.059 -0.016 0.000 0.903 295 L HN 0.003 nan 8.230 nan 0.000 0.435 296 I N -0.768 119.785 120.570 -0.028 0.000 2.286 296 I HA -0.221 3.949 4.170 0.000 0.000 0.245 296 I C 1.773 177.873 176.117 -0.028 0.000 1.104 296 I CA 0.769 62.063 61.300 -0.009 0.000 1.397 296 I CB -0.456 37.550 38.000 0.010 0.000 1.072 296 I HN 0.296 nan 8.210 nan 0.000 0.417 297 N N 0.886 119.529 118.700 -0.094 0.000 2.443 297 N HA -0.141 4.599 4.740 0.000 0.000 0.184 297 N C 1.656 177.160 175.510 -0.010 0.000 1.037 297 N CA 1.038 54.034 53.050 -0.091 0.000 0.896 297 N CB -0.041 38.229 38.487 -0.363 0.000 0.959 297 N HN 0.273 nan 8.380 nan 0.000 0.442 298 L N 0.372 121.580 121.223 -0.026 0.000 2.554 298 L HA 0.343 4.683 4.340 0.000 0.000 0.225 298 L C 0.507 177.367 176.870 -0.017 0.000 1.104 298 L CA 0.112 54.947 54.840 -0.009 0.000 0.866 298 L CB -0.313 41.735 42.059 -0.019 0.000 1.047 298 L HN -0.108 nan 8.230 nan 0.000 0.468 299 A N 0.005 122.812 122.820 -0.020 0.000 2.511 299 A HA 0.249 4.569 4.320 0.000 0.000 0.242 299 A C 0.944 178.491 177.584 -0.062 0.000 1.069 299 A CA -0.037 51.974 52.037 -0.043 0.000 0.763 299 A CB 0.177 19.161 19.000 -0.026 0.000 1.001 299 A HN 0.254 nan 8.150 nan 0.000 0.498 300 K N 1.263 121.586 120.400 -0.128 0.000 2.313 300 K HA 0.114 4.434 4.320 0.000 0.000 0.197 300 K C -0.036 176.349 176.600 -0.358 0.000 1.061 300 K CA 0.999 57.189 56.287 -0.161 0.000 0.980 300 K CB 0.348 32.761 32.500 -0.144 0.000 0.888 300 K HN 0.700 nan 8.250 nan 0.000 0.502 301 K N 1.914 121.978 120.400 -0.560 0.000 3.029 301 K HA 0.229 4.549 4.320 0.000 0.000 0.169 301 K C -2.725 173.487 176.600 -0.646 0.000 1.090 301 K CA -1.298 54.201 56.287 -1.314 0.000 0.883 301 K CB 2.005 33.486 32.500 -1.699 0.000 1.080 301 K HN -0.022 nan 8.250 nan 0.000 0.613 302 P HA 0.234 nan 4.420 nan 0.000 0.277 302 P C -0.453 177.041 177.300 0.323 0.000 1.240 302 P CA -0.411 62.746 63.100 0.096 0.000 0.798 302 P CB 1.773 33.538 31.700 0.108 0.000 0.979 303 V N 3.328 123.372 119.914 0.218 0.000 2.733 303 V HA 0.257 4.377 4.120 0.000 0.000 0.306 303 V C 0.089 176.255 176.094 0.120 0.000 1.084 303 V CA -0.650 61.768 62.300 0.197 0.000 0.905 303 V CB 2.115 34.062 31.823 0.208 0.000 1.010 303 V HN 0.420 nan 8.190 nan 0.000 0.424 304 L N 4.885 126.140 121.223 0.054 0.000 2.261 304 L HA 0.416 4.756 4.340 0.000 0.000 0.289 304 L C -0.948 175.950 176.870 0.047 0.000 1.059 304 L CA -0.555 54.295 54.840 0.017 0.000 0.816 304 L CB 0.687 42.697 42.059 -0.082 0.000 1.191 304 L HN 0.731 nan 8.230 nan 0.000 0.431 305 Y N 5.727 125.993 120.300 -0.057 0.000 2.595 305 Y HA 0.454 5.004 4.550 0.000 0.000 0.336 305 Y C -0.722 175.115 175.900 -0.106 0.000 0.996 305 Y CA -1.096 56.950 58.100 -0.089 0.000 1.260 305 Y CB 0.484 38.886 38.460 -0.095 0.000 1.108 305 Y HN 0.177 nan 8.280 nan 0.000 0.509 306 V N 6.040 125.852 119.914 -0.170 0.000 2.472 306 V HA 0.826 4.946 4.120 0.000 0.000 0.290 306 V C 0.600 176.530 176.094 -0.273 0.000 1.037 306 V CA -0.057 62.094 62.300 -0.249 0.000 0.908 306 V CB 1.086 32.824 31.823 -0.141 0.000 0.985 306 V HN 0.911 nan 8.190 nan 0.000 0.454 307 G N 1.752 110.381 108.800 -0.286 0.000 3.211 307 G HA2 0.582 4.542 3.960 0.000 0.000 0.262 307 G HA3 0.582 4.542 3.960 0.000 0.000 0.262 307 G C 0.817 175.639 174.900 -0.130 0.000 1.352 307 G CA -0.001 44.969 45.100 -0.216 0.000 1.004 307 G HN 0.859 nan 8.290 nan 0.000 0.559 308 A N -0.838 121.919 122.820 -0.104 0.000 2.076 308 A HA 0.103 4.423 4.320 0.000 0.000 0.220 308 A C 2.482 180.036 177.584 -0.051 0.000 1.160 308 A CA 2.382 54.374 52.037 -0.075 0.000 0.653 308 A CB -0.980 17.979 19.000 -0.068 0.000 0.801 308 A HN 1.239 nan 8.150 nan 0.000 0.455 309 G N 0.049 108.817 108.800 -0.053 0.000 2.442 309 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 309 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 309 G C 1.382 176.279 174.900 -0.005 0.000 1.141 309 G CA 1.202 46.289 45.100 -0.022 0.000 0.763 309 G HN 0.485 nan 8.290 nan 0.000 0.554 310 I N 0.444 120.994 120.570 -0.032 0.000 2.614 310 I HA 0.043 4.213 4.170 0.000 0.000 0.258 310 I C 2.190 178.314 176.117 0.013 0.000 1.189 310 I CA 0.620 61.907 61.300 -0.021 0.000 1.462 310 I CB 0.016 37.986 38.000 -0.049 0.000 1.092 310 I HN 0.107 nan 8.210 nan 0.000 0.442 311 L N -0.438 120.781 121.223 -0.006 0.000 2.591 311 L HA 0.051 4.391 4.340 0.000 0.000 0.228 311 L C 1.289 178.250 176.870 0.153 0.000 1.133 311 L CA 0.397 55.234 54.840 -0.005 0.000 0.880 311 L CB -0.646 41.323 42.059 -0.149 0.000 1.033 311 L HN 0.229 nan 8.230 nan 0.000 0.450 312 N N -1.198 117.572 118.700 0.117 0.000 2.370 312 N HA -0.030 4.710 4.740 0.000 0.000 0.198 312 N C -0.007 175.587 175.510 0.139 0.000 1.156 312 N CA -0.017 53.104 53.050 0.118 0.000 0.839 312 N CB 0.281 38.811 38.487 0.071 0.000 0.989 312 N HN 0.182 nan 8.380 nan 0.000 0.468 313 H N -0.531 118.581 119.070 0.071 0.000 2.856 313 H HA 0.291 4.847 4.556 0.000 0.000 0.355 313 H C 0.109 175.484 175.328 0.078 0.000 1.079 313 H CA -0.518 55.564 56.048 0.057 0.000 1.240 313 H CB 1.752 31.536 29.762 0.036 0.000 1.701 313 H HN -0.016 nan 8.280 nan 0.000 0.527 314 A N 3.253 126.155 122.820 0.138 0.000 1.986 314 A HA -0.163 4.157 4.320 0.000 0.000 0.220 314 A C 1.300 179.051 177.584 0.279 0.000 1.171 314 A CA 1.888 54.036 52.037 0.184 0.000 0.640 314 A CB -0.028 19.001 19.000 0.049 0.000 0.811 314 A HN 0.716 nan 8.150 nan 0.000 0.451 315 D N -0.826 119.868 120.400 0.489 0.000 2.339 315 D HA 0.104 4.744 4.640 0.000 0.000 0.217 315 D C 1.865 178.197 176.300 0.053 0.000 1.050 315 D CA 0.780 54.889 54.000 0.183 0.000 0.856 315 D CB -0.306 40.544 40.800 0.084 0.000 0.922 315 D HN 0.406 nan 8.370 nan 0.000 0.518 316 G N 2.668 111.523 108.800 0.093 0.000 2.628 316 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 316 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 316 G C -0.683 174.228 174.900 0.018 0.000 1.240 316 G CA 0.665 45.775 45.100 0.018 0.000 0.792 316 G HN 0.269 nan 8.290 nan 0.000 0.593 317 P HA -0.099 nan 4.420 nan 0.000 0.216 317 P C 1.981 179.313 177.300 0.054 0.000 1.150 317 P CA 1.112 64.245 63.100 0.055 0.000 0.843 317 P CB -0.057 31.674 31.700 0.050 0.000 0.787 318 R N -0.075 120.451 120.500 0.044 0.000 2.066 318 R HA -0.049 4.291 4.340 0.000 0.000 0.232 318 R C 2.143 178.459 176.300 0.027 0.000 1.131 318 R CA 1.315 57.436 56.100 0.036 0.000 0.955 318 R CB -0.998 29.324 30.300 0.037 0.000 0.851 318 R HN 0.223 nan 8.270 nan 0.000 0.432 319 L N 1.043 122.268 121.223 0.003 0.000 2.201 319 L HA -0.172 4.168 4.340 0.000 0.000 0.212 319 L C 2.484 179.349 176.870 -0.008 0.000 1.105 319 L CA 0.352 55.181 54.840 -0.018 0.000 0.775 319 L CB -0.394 41.625 42.059 -0.066 0.000 0.913 319 L HN 0.225 nan 8.230 nan 0.000 0.440 320 L N 0.361 121.591 121.223 0.013 0.000 2.056 320 L HA -0.196 4.144 4.340 0.000 0.000 0.207 320 L C 2.522 179.470 176.870 0.131 0.000 1.078 320 L CA 1.819 56.683 54.840 0.041 0.000 0.749 320 L CB -0.593 41.511 42.059 0.075 0.000 0.901 320 L HN 0.105 nan 8.230 nan 0.000 0.433 321 K N -0.509 119.986 120.400 0.159 0.000 2.057 321 K HA -0.243 4.077 4.320 0.000 0.000 0.207 321 K C 2.141 178.820 176.600 0.131 0.000 1.049 321 K CA 1.688 58.088 56.287 0.188 0.000 0.931 321 K CB -0.202 32.341 32.500 0.071 0.000 0.714 321 K HN 0.530 nan 8.250 nan 0.000 0.440 322 E N 0.464 120.710 120.200 0.077 0.000 2.038 322 E HA -0.238 4.112 4.350 0.000 0.000 0.195 322 E C 2.092 178.731 176.600 0.065 0.000 1.000 322 E CA 1.394 57.829 56.400 0.059 0.000 0.803 322 E CB -0.123 29.597 29.700 0.035 0.000 0.750 322 E HN 0.247 nan 8.360 nan 0.000 0.448 323 L N 0.694 121.946 121.223 0.048 0.000 2.042 323 L HA -0.178 4.162 4.340 0.000 0.000 0.210 323 L C 2.449 179.363 176.870 0.074 0.000 1.076 323 L CA 2.286 57.149 54.840 0.039 0.000 0.749 323 L CB -0.895 41.158 42.059 -0.011 0.000 0.893 323 L HN 0.069 nan 8.230 nan 0.000 0.432 324 S N -0.970 114.793 115.700 0.106 0.000 2.368 324 S HA -0.199 4.271 4.470 0.000 0.000 0.225 324 S C 1.713 176.417 174.600 0.172 0.000 1.030 324 S CA 1.595 59.884 58.200 0.148 0.000 0.999 324 S CB -0.423 62.925 63.200 0.246 0.000 0.844 324 S HN 0.615 nan 8.310 nan 0.000 0.459 325 D N 0.811 121.305 120.400 0.157 0.000 2.077 325 D HA -0.063 4.577 4.640 0.000 0.000 0.196 325 D C 2.188 178.550 176.300 0.102 0.000 0.986 325 D CA 0.865 54.943 54.000 0.130 0.000 0.829 325 D CB -0.545 40.315 40.800 0.099 0.000 0.983 325 D HN 0.384 nan 8.370 nan 0.000 0.453 326 R N 0.733 121.285 120.500 0.087 0.000 2.115 326 R HA -0.161 4.179 4.340 0.000 0.000 0.239 326 R C 1.682 178.035 176.300 0.089 0.000 1.133 326 R CA 1.991 58.138 56.100 0.078 0.000 0.935 326 R CB -0.220 30.123 30.300 0.071 0.000 0.853 326 R HN 0.123 nan 8.270 nan 0.000 0.433 327 A N 0.130 123.009 122.820 0.098 0.000 2.307 327 A HA 0.081 4.401 4.320 0.000 0.000 0.218 327 A C -0.170 177.498 177.584 0.139 0.000 1.228 327 A CA -0.170 51.933 52.037 0.109 0.000 0.857 327 A CB 0.373 19.432 19.000 0.097 0.000 0.897 327 A HN 0.465 nan 8.150 nan 0.000 0.495 328 Q N -0.436 119.455 119.800 0.152 0.000 2.447 328 Q HA -0.181 4.159 4.340 0.000 0.000 0.348 328 Q C -0.748 175.475 176.000 0.371 0.000 1.421 328 Q CA 1.049 56.986 55.803 0.223 0.000 0.978 328 Q CB -1.633 27.156 28.738 0.085 0.000 1.191 328 Q HN 0.744 nan 8.270 nan 0.000 0.371 329 I N 2.005 122.747 120.570 0.286 0.000 2.404 329 I HA 0.342 4.513 4.170 0.000 0.000 0.293 329 I C -1.806 174.385 176.117 0.124 0.000 0.992 329 I CA -2.265 59.184 61.300 0.249 0.000 1.149 329 I CB 1.917 40.008 38.000 0.151 0.000 1.315 329 I HN -0.039 nan 8.210 nan 0.000 0.446 330 P HA 0.104 nan 4.420 nan 0.000 0.271 330 P C -0.773 176.414 177.300 -0.189 0.000 1.216 330 P CA -0.061 62.935 63.100 -0.174 0.000 0.771 330 P CB 1.406 32.894 31.700 -0.353 0.000 0.864 331 V N 3.146 122.837 119.914 -0.372 0.000 2.448 331 V HA 0.436 4.556 4.120 0.000 0.000 0.295 331 V C 0.601 176.497 176.094 -0.329 0.000 1.025 331 V CA -0.237 61.766 62.300 -0.494 0.000 0.859 331 V CB 1.636 32.751 31.823 -1.180 0.000 0.988 331 V HN 0.638 nan 8.190 nan 0.000 0.431 332 T N 3.205 117.662 114.554 -0.161 0.000 2.863 332 T HA 0.719 5.069 4.350 0.000 0.000 0.285 332 T C -0.231 174.468 174.700 -0.003 0.000 1.009 332 T CA -0.152 61.914 62.100 -0.057 0.000 0.989 332 T CB 1.489 70.347 68.868 -0.015 0.000 1.004 332 T HN 0.978 nan 8.240 nan 0.000 0.455 333 T N 0.835 115.403 114.554 0.023 0.000 2.924 333 T HA 0.719 5.069 4.350 0.000 0.000 0.291 333 T C 0.573 175.304 174.700 0.052 0.000 1.045 333 T CA -0.596 61.520 62.100 0.026 0.000 1.015 333 T CB 1.271 70.145 68.868 0.011 0.000 1.103 333 T HN 0.780 nan 8.240 nan 0.000 0.496 334 T N 0.142 114.719 114.554 0.037 0.000 2.770 334 T HA 0.317 4.667 4.350 0.000 0.000 0.281 334 T C 1.366 176.070 174.700 0.006 0.000 0.981 334 T CA -0.659 61.467 62.100 0.043 0.000 0.955 334 T CB 0.362 69.244 68.868 0.022 0.000 1.060 334 T HN 0.536 nan 8.240 nan 0.000 0.531 335 L N 0.427 121.657 121.223 0.013 0.000 2.079 335 L HA -0.068 4.272 4.340 0.000 0.000 0.210 335 L C 2.501 179.382 176.870 0.018 0.000 1.081 335 L CA 1.734 56.594 54.840 0.034 0.000 0.752 335 L CB -0.831 41.251 42.059 0.039 0.000 0.896 335 L HN 0.603 nan 8.230 nan 0.000 0.433 336 Q N -0.851 118.926 119.800 -0.038 0.000 2.444 336 Q HA 0.123 4.463 4.340 0.000 0.000 0.206 336 Q C 1.792 177.747 176.000 -0.076 0.000 0.948 336 Q CA 0.902 56.661 55.803 -0.073 0.000 0.946 336 Q CB 0.058 28.742 28.738 -0.091 0.000 1.027 336 Q HN 0.625 nan 8.270 nan 0.000 0.513 337 G N -0.118 108.640 108.800 -0.069 0.000 2.986 337 G HA2 0.156 4.116 3.960 0.000 0.000 0.213 337 G HA3 0.156 4.116 3.960 0.000 0.000 0.213 337 G C 0.565 175.422 174.900 -0.072 0.000 1.156 337 G CA -0.331 44.725 45.100 -0.074 0.000 0.763 337 G HN 0.151 nan 8.290 nan 0.000 0.547 338 L N 0.786 121.934 121.223 -0.125 0.000 2.578 338 L HA 0.313 4.653 4.340 0.000 0.000 0.279 338 L C 1.635 178.382 176.870 -0.205 0.000 1.227 338 L CA 1.247 55.930 54.840 -0.261 0.000 0.900 338 L CB 0.541 42.150 42.059 -0.750 0.000 1.144 338 L HN 0.340 nan 8.230 nan 0.000 0.496 339 G N 1.413 110.209 108.800 -0.006 0.000 2.194 339 G HA2 -0.316 3.644 3.960 0.000 0.000 0.236 339 G HA3 -0.316 3.644 3.960 0.000 0.000 0.236 339 G C 0.898 175.834 174.900 0.060 0.000 0.987 339 G CA 0.451 45.607 45.100 0.094 0.000 0.635 339 G HN 0.727 nan 8.290 nan 0.000 0.520 340 S N -1.281 114.448 115.700 0.047 0.000 2.528 340 S HA 0.592 5.062 4.470 0.000 0.000 0.219 340 S C 0.367 175.069 174.600 0.169 0.000 0.985 340 S CA 0.561 58.792 58.200 0.052 0.000 0.914 340 S CB 0.240 63.447 63.200 0.013 0.000 0.776 340 S HN 1.076 nan 8.310 nan 0.000 0.526 341 F N 1.977 121.943 119.950 0.027 0.000 2.569 341 F HA 0.451 4.978 4.527 0.000 0.000 0.312 341 F C -0.936 174.908 175.800 0.073 0.000 1.109 341 F CA -1.338 56.686 58.000 0.041 0.000 0.919 341 F CB 1.640 40.658 39.000 0.030 0.000 1.211 341 F HN -0.102 nan 8.300 nan 0.000 0.446 342 D N 4.352 124.422 120.400 -0.550 0.000 2.382 342 D HA 0.031 4.671 4.640 0.000 0.000 0.259 342 D C 0.561 176.760 176.300 -0.168 0.000 1.224 342 D CA 0.536 54.354 54.000 -0.302 0.000 0.894 342 D CB 1.178 41.771 40.800 -0.345 0.000 1.127 342 D HN 0.716 nan 8.370 nan 0.000 0.487 343 Q N 2.387 122.223 119.800 0.059 0.000 2.482 343 Q HA -0.056 4.284 4.340 0.000 0.000 0.209 343 Q C 0.821 176.859 176.000 0.063 0.000 0.961 343 Q CA 0.465 56.350 55.803 0.138 0.000 0.945 343 Q CB 0.549 29.392 28.738 0.174 0.000 1.012 343 Q HN 0.530 nan 8.270 nan 0.000 0.515 344 E N 0.824 121.023 120.200 -0.002 0.000 2.371 344 E HA -0.039 4.311 4.350 0.000 0.000 0.194 344 E C 0.275 176.872 176.600 -0.005 0.000 1.012 344 E CA 0.231 56.624 56.400 -0.012 0.000 0.860 344 E CB 0.152 29.831 29.700 -0.035 0.000 0.811 344 E HN 0.292 nan 8.360 nan 0.000 0.502 345 D N 1.255 121.641 120.400 -0.023 0.000 2.389 345 D HA 0.013 4.653 4.640 0.000 0.000 0.247 345 D C -1.775 174.593 176.300 0.113 0.000 1.128 345 D CA -1.882 52.126 54.000 0.014 0.000 0.884 345 D CB 1.752 42.497 40.800 -0.092 0.000 1.194 345 D HN -0.193 nan 8.370 nan 0.000 0.441 346 P HA -0.114 nan 4.420 nan 0.000 0.220 346 P C 0.572 177.942 177.300 0.116 0.000 1.144 346 P CA 1.251 64.418 63.100 0.110 0.000 0.800 346 P CB 0.239 32.016 31.700 0.127 0.000 0.772 347 K N -0.997 119.524 120.400 0.201 0.000 2.487 347 K HA 0.098 4.418 4.320 0.000 0.000 0.192 347 K C 0.775 177.431 176.600 0.094 0.000 1.027 347 K CA 0.058 56.426 56.287 0.135 0.000 1.054 347 K CB -0.033 32.630 32.500 0.271 0.000 0.824 347 K HN 0.019 nan 8.250 nan 0.000 0.510 348 S N 1.154 117.004 115.700 0.250 0.000 2.481 348 S HA 0.170 4.640 4.470 0.000 0.000 0.276 348 S C 0.804 175.422 174.600 0.030 0.000 1.247 348 S CA -0.503 57.830 58.200 0.221 0.000 1.053 348 S CB 0.387 63.799 63.200 0.352 0.000 0.925 348 S HN 0.210 nan 8.310 nan 0.000 0.491 349 L N 3.870 125.068 121.223 -0.042 0.000 2.607 349 L HA 0.271 4.611 4.340 0.000 0.000 0.228 349 L C 1.077 177.928 176.870 -0.032 0.000 1.123 349 L CA 0.031 54.828 54.840 -0.072 0.000 0.890 349 L CB -0.519 41.474 42.059 -0.111 0.000 1.103 349 L HN 0.808 nan 8.230 nan 0.000 0.468 350 D N 0.004 120.427 120.400 0.037 0.000 3.672 350 D HA -0.269 4.371 4.640 0.000 0.000 0.258 350 D C -0.246 176.102 176.300 0.080 0.000 1.876 350 D CA 0.796 54.855 54.000 0.097 0.000 1.168 350 D CB -0.196 40.659 40.800 0.093 0.000 0.839 350 D HN -0.004 nan 8.370 nan 0.000 1.037 351 M N 1.234 120.908 119.600 0.123 0.000 2.274 351 M HA 0.472 4.952 4.480 0.000 0.000 0.344 351 M C 0.097 176.430 176.300 0.056 0.000 1.161 351 M CA -0.440 54.916 55.300 0.093 0.000 1.126 351 M CB 0.704 33.373 32.600 0.114 0.000 1.522 351 M HN 0.374 nan 8.290 nan 0.000 0.461 352 L N 2.314 123.554 121.223 0.029 0.000 2.298 352 L HA 1.116 5.456 4.340 0.000 0.000 0.268 352 L C -0.050 176.816 176.870 -0.006 0.000 1.010 352 L CA -0.224 54.608 54.840 -0.014 0.000 0.812 352 L CB 1.477 43.510 42.059 -0.043 0.000 1.331 352 L HN 0.843 nan 8.230 nan 0.000 0.450 353 G N -0.143 108.637 108.800 -0.032 0.000 2.396 353 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 353 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 353 G C 0.045 174.922 174.900 -0.039 0.000 1.248 353 G CA 0.023 45.104 45.100 -0.032 0.000 1.033 353 G HN 1.049 nan 8.290 nan 0.000 0.502 354 M N -0.770 118.791 119.600 -0.064 0.000 2.089 354 M HA -0.114 4.366 4.480 0.000 0.000 0.257 354 M C 1.374 177.498 176.300 -0.293 0.000 1.071 354 M CA 2.418 57.616 55.300 -0.171 0.000 1.096 354 M CB -0.211 32.276 32.600 -0.188 0.000 1.330 354 M HN 0.568 nan 8.290 nan 0.000 0.403 355 H N -0.553 118.542 119.070 0.043 0.000 2.510 355 H HA 0.367 4.923 4.556 0.000 0.000 0.266 355 H C 0.325 175.690 175.328 0.061 0.000 1.146 355 H CA 0.236 56.310 56.048 0.044 0.000 0.993 355 H CB -0.343 29.426 29.762 0.011 0.000 1.727 355 H HN 0.405 nan 8.280 nan 0.000 0.590 356 G N 0.096 108.962 108.800 0.111 0.000 2.562 356 G HA2 0.155 4.115 3.960 0.000 0.000 0.275 356 G HA3 0.155 4.115 3.960 0.000 0.000 0.275 356 G C -0.018 174.924 174.900 0.069 0.000 1.196 356 G CA -0.398 44.766 45.100 0.106 0.000 0.908 356 G HN 0.407 nan 8.290 nan 0.000 0.524 357 C N 0.801 120.126 119.300 0.041 0.000 2.611 357 C HA 0.376 4.836 4.460 0.000 0.000 0.416 357 C C 2.170 176.940 174.990 -0.367 0.000 1.366 357 C CA 0.224 59.087 59.018 -0.257 0.000 1.761 357 C CB -0.423 27.110 27.740 -0.344 0.000 2.619 357 C HN 0.906 nan 8.230 nan 0.000 0.606 358 A N 4.605 127.090 122.820 -0.557 0.000 1.908 358 A HA -0.130 4.190 4.320 0.000 0.000 0.218 358 A C 2.171 179.385 177.584 -0.617 0.000 1.181 358 A CA 2.650 54.141 52.037 -0.909 0.000 0.627 358 A CB -1.152 17.091 19.000 -1.263 0.000 0.818 358 A HN 0.959 nan 8.150 nan 0.000 0.445 359 T N 0.354 114.684 114.554 -0.373 0.000 2.720 359 T HA -0.075 4.275 4.350 0.000 0.000 0.268 359 T C 2.201 176.750 174.700 -0.252 0.000 1.037 359 T CA 1.719 63.679 62.100 -0.233 0.000 1.144 359 T CB -0.493 68.345 68.868 -0.050 0.000 0.864 359 T HN 0.634 nan 8.240 nan 0.000 0.444 360 A N 2.415 125.104 122.820 -0.219 0.000 1.877 360 A HA -0.161 4.159 4.320 0.000 0.000 0.216 360 A C 2.291 179.773 177.584 -0.170 0.000 1.186 360 A CA 1.537 53.480 52.037 -0.156 0.000 0.620 360 A CB -0.613 18.322 19.000 -0.109 0.000 0.822 360 A HN 0.389 nan 8.150 nan 0.000 0.443 361 N N 0.098 118.663 118.700 -0.224 0.000 2.188 361 N HA -0.067 4.673 4.740 0.000 0.000 0.184 361 N C 1.689 177.070 175.510 -0.215 0.000 1.018 361 N CA 1.270 54.214 53.050 -0.178 0.000 0.858 361 N CB -0.473 37.916 38.487 -0.164 0.000 0.989 361 N HN 0.507 nan 8.380 nan 0.000 0.426 362 L N 0.675 121.650 121.223 -0.414 0.000 2.056 362 L HA -0.079 4.261 4.340 0.000 0.000 0.207 362 L C 2.440 179.062 176.870 -0.414 0.000 1.078 362 L CA 1.057 55.511 54.840 -0.644 0.000 0.749 362 L CB -0.510 40.619 42.059 -1.551 0.000 0.901 362 L HN 0.096 nan 8.230 nan 0.000 0.433 363 A N -0.272 122.400 122.820 -0.246 0.000 1.908 363 A HA -0.160 4.160 4.320 0.000 0.000 0.218 363 A C 2.319 180.026 177.584 0.206 0.000 1.181 363 A CA 1.870 54.010 52.037 0.171 0.000 0.627 363 A CB -0.825 18.206 19.000 0.051 0.000 0.818 363 A HN 0.209 nan 8.150 nan 0.000 0.445 364 V N -0.056 119.875 119.914 0.028 0.000 2.427 364 V HA -0.223 3.897 4.120 0.000 0.000 0.248 364 V C 2.578 178.626 176.094 -0.077 0.000 1.051 364 V CA 1.901 64.187 62.300 -0.022 0.000 1.048 364 V CB -0.682 31.099 31.823 -0.070 0.000 0.666 364 V HN 0.542 nan 8.190 nan 0.000 0.456 365 Q N -0.170 119.593 119.800 -0.063 0.000 2.297 365 Q HA -0.025 4.316 4.340 0.000 0.000 0.204 365 Q C 1.647 177.649 176.000 0.004 0.000 0.962 365 Q CA 0.826 56.587 55.803 -0.070 0.000 0.879 365 Q CB -0.267 28.437 28.738 -0.056 0.000 0.947 365 Q HN 0.651 nan 8.270 nan 0.000 0.462 366 N N -0.175 118.601 118.700 0.126 0.000 2.254 366 N HA 0.126 4.866 4.740 0.000 0.000 0.190 366 N C -0.006 175.572 175.510 0.114 0.000 1.107 366 N CA 0.080 53.254 53.050 0.207 0.000 0.869 366 N CB 0.703 39.482 38.487 0.487 0.000 0.983 366 N HN 0.025 nan 8.380 nan 0.000 0.487 367 A N 1.573 124.456 122.820 0.105 0.000 2.445 367 A HA 0.079 4.399 4.320 0.000 0.000 0.242 367 A C 1.062 178.581 177.584 -0.109 0.000 1.075 367 A CA -0.137 51.884 52.037 -0.026 0.000 0.777 367 A CB 0.338 19.392 19.000 0.091 0.000 1.013 367 A HN 0.246 nan 8.150 nan 0.000 0.493 368 D N 0.576 120.869 120.400 -0.178 0.000 2.346 368 D HA 0.107 4.747 4.640 0.000 0.000 0.206 368 D C -0.006 176.245 176.300 -0.082 0.000 1.001 368 D CA 0.261 54.183 54.000 -0.131 0.000 0.871 368 D CB 0.107 40.811 40.800 -0.160 0.000 0.943 368 D HN 0.279 nan 8.370 nan 0.000 0.518 369 L N 0.640 121.825 121.223 -0.064 0.000 2.505 369 L HA 0.462 4.802 4.340 0.000 0.000 0.266 369 L C -1.794 175.099 176.870 0.039 0.000 0.954 369 L CA -0.743 54.093 54.840 -0.007 0.000 0.852 369 L CB 2.227 44.285 42.059 -0.002 0.000 1.282 369 L HN -0.121 nan 8.230 nan 0.000 0.403 370 I N 6.250 126.864 120.570 0.073 0.000 2.362 370 I HA 0.407 4.577 4.170 0.000 0.000 0.289 370 I C -0.502 175.733 176.117 0.196 0.000 0.994 370 I CA -0.440 60.938 61.300 0.131 0.000 1.158 370 I CB 1.627 39.707 38.000 0.133 0.000 1.315 370 I HN 0.504 nan 8.210 nan 0.000 0.451 371 I N 6.537 127.224 120.570 0.195 0.000 2.313 371 I HA 0.332 4.502 4.170 0.000 0.000 0.286 371 I C 0.617 176.867 176.117 0.222 0.000 1.091 371 I CA -0.332 61.101 61.300 0.222 0.000 1.216 371 I CB 0.850 38.939 38.000 0.149 0.000 1.434 371 I HN 0.572 nan 8.210 nan 0.000 0.487 372 A N 6.527 129.533 122.820 0.311 0.000 2.396 372 A HA 0.530 4.850 4.320 0.000 0.000 0.279 372 A C -0.084 177.619 177.584 0.198 0.000 1.165 372 A CA -0.167 51.977 52.037 0.178 0.000 0.824 372 A CB 0.167 19.306 19.000 0.231 0.000 1.100 372 A HN 0.465 nan 8.150 nan 0.000 0.516 373 V N 2.660 122.535 119.914 -0.066 0.000 2.349 373 V HA 0.580 4.700 4.120 0.000 0.000 0.284 373 V C 1.016 177.044 176.094 -0.109 0.000 1.014 373 V CA 0.292 62.561 62.300 -0.052 0.000 0.826 373 V CB 0.681 32.389 31.823 -0.191 0.000 1.009 373 V HN 1.788 nan 8.190 nan 0.000 0.431 374 G N 3.945 112.744 108.800 -0.001 0.000 2.338 374 G HA2 0.101 4.061 3.960 0.000 0.000 0.296 374 G HA3 0.101 4.061 3.960 0.000 0.000 0.296 374 G C 0.089 174.915 174.900 -0.124 0.000 1.040 374 G CA 0.460 45.538 45.100 -0.037 0.000 1.004 374 G HN 1.620 nan 8.290 nan 0.000 0.509 375 A N -0.358 122.372 122.820 -0.151 0.000 2.475 375 A HA 0.887 5.207 4.320 0.000 0.000 0.301 375 A C 0.663 178.221 177.584 -0.043 0.000 1.059 375 A CA -0.061 51.780 52.037 -0.326 0.000 0.710 375 A CB 0.971 19.308 19.000 -1.105 0.000 1.288 375 A HN 1.128 nan 8.150 nan 0.000 0.408 376 R N 0.725 121.245 120.500 0.034 0.000 2.546 376 R HA 0.408 4.748 4.340 0.000 0.000 0.320 376 R C -1.072 175.459 176.300 0.385 0.000 1.021 376 R CA -0.145 56.110 56.100 0.258 0.000 1.088 376 R CB -0.524 29.866 30.300 0.150 0.000 1.278 376 R HN 0.628 nan 8.270 nan 0.000 0.557 377 F N 2.937 122.955 119.950 0.112 0.000 2.943 377 F HA -0.270 4.257 4.527 0.000 0.000 0.258 377 F C 0.122 175.874 175.800 -0.081 0.000 0.995 377 F CA 1.011 59.005 58.000 -0.010 0.000 0.896 377 F CB -1.911 37.020 39.000 -0.114 0.000 0.821 377 F HN 0.454 nan 8.300 nan 0.000 0.828 378 D N 0.692 121.133 120.400 0.067 0.000 2.363 378 D HA 0.058 4.698 4.640 0.000 0.000 0.240 378 D C 1.070 177.351 176.300 -0.031 0.000 1.236 378 D CA 0.308 54.318 54.000 0.017 0.000 0.927 378 D CB 0.711 41.511 40.800 0.000 0.000 1.150 378 D HN 0.422 nan 8.370 nan 0.000 0.458 379 D N -0.720 119.661 120.400 -0.032 0.000 2.392 379 D HA -0.143 4.497 4.640 0.000 0.000 0.228 379 D C 1.196 177.471 176.300 -0.042 0.000 1.003 379 D CA 0.414 54.388 54.000 -0.044 0.000 0.917 379 D CB 0.040 40.822 40.800 -0.030 0.000 0.890 379 D HN 0.125 nan 8.370 nan 0.000 0.532 380 R N -0.003 120.474 120.500 -0.038 0.000 2.280 380 R HA 0.208 4.548 4.340 0.000 0.000 0.195 380 R C 1.406 177.680 176.300 -0.044 0.000 0.935 380 R CA 0.161 56.244 56.100 -0.029 0.000 1.033 380 R CB 0.191 30.480 30.300 -0.020 0.000 0.964 380 R HN 0.279 nan 8.270 nan 0.000 0.489 381 V N 0.062 119.932 119.914 -0.074 0.000 2.908 381 V HA -0.071 4.049 4.120 0.000 0.000 0.240 381 V C 2.202 178.181 176.094 -0.191 0.000 1.117 381 V CA 1.769 64.001 62.300 -0.112 0.000 1.133 381 V CB 0.178 31.934 31.823 -0.112 0.000 0.857 381 V HN 0.324 nan 8.190 nan 0.000 0.478 382 T N -1.827 112.556 114.554 -0.286 0.000 3.023 382 T HA 0.273 4.623 4.350 0.000 0.000 0.266 382 T C 1.348 175.955 174.700 -0.154 0.000 1.093 382 T CA 1.046 62.863 62.100 -0.471 0.000 1.129 382 T CB -0.130 68.343 68.868 -0.658 0.000 0.899 382 T HN 1.043 nan 8.240 nan 0.000 0.491 383 G N 2.141 110.892 108.800 -0.081 0.000 2.569 383 G HA2 -0.293 3.667 3.960 0.000 0.000 0.259 383 G HA3 -0.293 3.667 3.960 0.000 0.000 0.259 383 G C -0.289 174.608 174.900 -0.005 0.000 1.263 383 G CA -0.181 44.910 45.100 -0.014 0.000 0.928 383 G HN 0.748 nan 8.290 nan 0.000 0.572 384 N N 1.272 119.986 118.700 0.023 0.000 2.418 384 N HA 0.094 4.834 4.740 0.000 0.000 0.277 384 N C 2.033 177.573 175.510 0.051 0.000 1.317 384 N CA 0.636 53.702 53.050 0.026 0.000 0.922 384 N CB -0.081 38.423 38.487 0.027 0.000 1.194 384 N HN 0.486 nan 8.380 nan 0.000 0.485 385 I N 2.066 122.651 120.570 0.025 0.000 2.185 385 I HA -0.399 3.771 4.170 0.000 0.000 0.246 385 I C 2.149 178.329 176.117 0.105 0.000 1.088 385 I CA 1.488 62.815 61.300 0.045 0.000 1.347 385 I CB -0.436 37.563 38.000 -0.001 0.000 1.041 385 I HN 0.577 nan 8.210 nan 0.000 0.415 386 S N 0.467 116.206 115.700 0.064 0.000 2.474 386 S HA -0.119 4.351 4.470 0.000 0.000 0.235 386 S C 1.677 176.316 174.600 0.065 0.000 0.997 386 S CA 0.742 58.975 58.200 0.056 0.000 0.949 386 S CB -0.295 62.922 63.200 0.029 0.000 0.766 386 S HN 0.497 nan 8.310 nan 0.000 0.517 387 K N -0.059 120.391 120.400 0.083 0.000 2.358 387 K HA 0.279 4.599 4.320 0.000 0.000 0.197 387 K C -0.183 176.482 176.600 0.109 0.000 1.025 387 K CA -0.456 55.872 56.287 0.069 0.000 1.104 387 K CB 0.101 32.630 32.500 0.048 0.000 0.855 387 K HN 0.392 nan 8.250 nan 0.000 0.531 388 F N 2.634 122.578 119.950 -0.010 0.000 2.529 388 F HA 0.163 4.690 4.527 0.000 0.000 0.365 388 F C 0.640 176.438 175.800 -0.003 0.000 1.102 388 F CA -0.606 57.389 58.000 -0.008 0.000 1.271 388 F CB 0.315 39.317 39.000 0.005 0.000 1.120 388 F HN 0.244 nan 8.300 nan 0.000 0.579 389 A N 6.489 128.825 122.820 -0.806 0.000 2.261 389 A HA -0.192 4.128 4.320 0.000 0.000 0.282 389 A C -1.675 175.740 177.584 -0.282 0.000 1.403 389 A CA 0.552 52.197 52.037 -0.653 0.000 0.753 389 A CB -1.870 16.561 19.000 -0.948 0.000 1.125 389 A HN 0.694 nan 8.150 nan 0.000 0.358 390 P HA -0.163 nan 4.420 nan 0.000 0.217 390 P C 1.147 178.404 177.300 -0.070 0.000 1.150 390 P CA 1.397 64.449 63.100 -0.080 0.000 0.832 390 P CB 0.205 31.878 31.700 -0.045 0.000 0.787 391 E N -0.062 120.093 120.200 -0.074 0.000 2.158 391 E HA -0.011 4.339 4.350 0.000 0.000 0.191 391 E C 2.180 178.735 176.600 -0.074 0.000 0.982 391 E CA 0.990 57.355 56.400 -0.058 0.000 0.823 391 E CB -0.695 28.981 29.700 -0.041 0.000 0.766 391 E HN 0.219 nan 8.360 nan 0.000 0.468 392 A N 1.437 124.196 122.820 -0.102 0.000 1.929 392 A HA -0.136 4.184 4.320 0.000 0.000 0.216 392 A C 2.482 180.026 177.584 -0.068 0.000 1.176 392 A CA 2.074 54.057 52.037 -0.090 0.000 0.628 392 A CB -0.630 18.299 19.000 -0.119 0.000 0.816 392 A HN 0.276 nan 8.150 nan 0.000 0.444 393 R N 0.074 120.530 120.500 -0.073 0.000 2.092 393 R HA -0.009 4.331 4.340 0.000 0.000 0.231 393 R C 2.285 178.565 176.300 -0.035 0.000 1.119 393 R CA 1.750 57.822 56.100 -0.046 0.000 0.970 393 R CB -0.950 29.324 30.300 -0.042 0.000 0.864 393 R HN 0.678 nan 8.270 nan 0.000 0.440 394 R N -0.369 120.109 120.500 -0.038 0.000 2.073 394 R HA 0.056 4.396 4.340 0.000 0.000 0.229 394 R C 2.615 178.897 176.300 -0.030 0.000 1.120 394 R CA 1.332 57.415 56.100 -0.029 0.000 0.967 394 R CB -0.409 29.875 30.300 -0.028 0.000 0.862 394 R HN 0.474 nan 8.270 nan 0.000 0.436 395 A N 0.458 123.255 122.820 -0.039 0.000 2.019 395 A HA -0.093 4.227 4.320 0.000 0.000 0.219 395 A C 2.223 179.790 177.584 -0.028 0.000 1.164 395 A CA 1.623 53.637 52.037 -0.039 0.000 0.644 395 A CB -0.554 18.415 19.000 -0.051 0.000 0.805 395 A HN 0.521 nan 8.150 nan 0.000 0.449 396 A N -0.293 122.512 122.820 -0.026 0.000 1.929 396 A HA 0.291 4.611 4.320 0.000 0.000 0.216 396 A C 2.437 180.013 177.584 -0.014 0.000 1.176 396 A CA 1.599 53.626 52.037 -0.017 0.000 0.628 396 A CB -0.845 18.145 19.000 -0.015 0.000 0.816 396 A HN 0.985 nan 8.150 nan 0.000 0.444 397 A N -0.184 122.626 122.820 -0.015 0.000 2.015 397 A HA -0.095 4.225 4.320 0.000 0.000 0.219 397 A C 1.648 179.225 177.584 -0.011 0.000 1.163 397 A CA 1.435 53.465 52.037 -0.012 0.000 0.646 397 A CB -0.330 18.662 19.000 -0.012 0.000 0.806 397 A HN 0.602 nan 8.150 nan 0.000 0.448 398 E N -0.883 119.308 120.200 -0.014 0.000 2.444 398 E HA 0.293 4.643 4.350 0.000 0.000 0.191 398 E C 0.772 177.364 176.600 -0.013 0.000 1.041 398 E CA 0.059 56.451 56.400 -0.013 0.000 0.883 398 E CB -0.114 29.576 29.700 -0.016 0.000 1.024 398 E HN 0.619 nan 8.360 nan 0.000 0.470 399 G N 3.053 111.846 108.800 -0.012 0.000 2.390 399 G HA2 -0.347 3.613 3.960 0.000 0.000 0.299 399 G HA3 -0.347 3.613 3.960 0.000 0.000 0.299 399 G C 0.639 175.530 174.900 -0.014 0.000 1.002 399 G CA 1.125 46.219 45.100 -0.011 0.000 0.979 399 G HN 0.473 nan 8.290 nan 0.000 0.513 400 R N -1.223 119.265 120.500 -0.019 0.000 2.549 400 R HA 0.549 4.889 4.340 0.000 0.000 0.361 400 R C 0.868 177.150 176.300 -0.029 0.000 0.969 400 R CA 0.362 56.449 56.100 -0.023 0.000 1.158 400 R CB 0.629 30.914 30.300 -0.026 0.000 1.456 400 R HN 1.140 nan 8.270 nan 0.000 0.540 401 G N -0.805 107.980 108.800 -0.025 0.000 2.435 401 G HA2 0.466 4.426 3.960 0.000 0.000 0.228 401 G HA3 0.466 4.426 3.960 0.000 0.000 0.228 401 G C -0.347 174.545 174.900 -0.014 0.000 1.198 401 G CA -0.068 45.017 45.100 -0.025 0.000 0.948 401 G HN 0.501 nan 8.290 nan 0.000 0.487 402 G N -1.026 107.766 108.800 -0.014 0.000 2.253 402 G HA2 0.292 4.252 3.960 0.000 0.000 0.190 402 G HA3 0.292 4.252 3.960 0.000 0.000 0.190 402 G C -1.217 173.697 174.900 0.024 0.000 1.274 402 G CA -0.078 45.020 45.100 -0.004 0.000 1.275 402 G HN 1.315 nan 8.290 nan 0.000 0.518 403 I N 1.232 121.832 120.570 0.050 0.000 2.499 403 I HA 0.519 4.689 4.170 0.000 0.000 0.288 403 I C -0.458 175.736 176.117 0.128 0.000 1.048 403 I CA -0.652 60.714 61.300 0.110 0.000 1.062 403 I CB 1.984 40.061 38.000 0.128 0.000 1.238 403 I HN 0.376 nan 8.210 nan 0.000 0.426 404 I N 5.091 125.769 120.570 0.179 0.000 2.377 404 I HA 0.336 4.506 4.170 0.000 0.000 0.293 404 I C -0.351 175.955 176.117 0.316 0.000 0.987 404 I CA -0.458 60.948 61.300 0.175 0.000 1.185 404 I CB 1.457 39.571 38.000 0.190 0.000 1.341 404 I HN 0.581 nan 8.210 nan 0.000 0.455 405 H N 6.384 125.511 119.070 0.095 0.000 2.800 405 H HA 0.369 4.925 4.556 0.000 0.000 0.322 405 H C -1.393 173.960 175.328 0.042 0.000 0.979 405 H CA -0.815 55.342 56.048 0.182 0.000 1.277 405 H CB 1.012 30.889 29.762 0.191 0.000 1.484 405 H HN 0.387 nan 8.280 nan 0.000 0.512 406 F N 3.821 123.867 119.950 0.160 0.000 2.423 406 F HA 0.150 4.677 4.527 0.000 0.000 0.356 406 F C 0.297 176.015 175.800 -0.137 0.000 1.170 406 F CA -0.382 57.610 58.000 -0.014 0.000 1.163 406 F CB 0.671 39.676 39.000 0.008 0.000 1.318 406 F HN 0.552 nan 8.300 nan 0.000 0.569 407 E N 2.024 122.106 120.200 -0.197 0.000 2.234 407 E HA 0.339 4.690 4.350 0.000 0.000 0.266 407 E C -0.215 176.317 176.600 -0.114 0.000 0.877 407 E CA -0.501 55.747 56.400 -0.253 0.000 0.758 407 E CB 2.013 31.349 29.700 -0.606 0.000 1.170 407 E HN 0.261 nan 8.360 nan 0.000 0.415 408 V N 2.820 122.701 119.914 -0.054 0.000 2.951 408 V HA 0.160 4.280 4.120 0.000 0.000 0.255 408 V C -0.030 176.046 176.094 -0.030 0.000 1.088 408 V CA 1.141 63.426 62.300 -0.025 0.000 1.109 408 V CB 0.196 32.017 31.823 -0.004 0.000 0.724 408 V HN 0.587 nan 8.190 nan 0.000 0.471 409 S N 1.343 117.018 115.700 -0.041 0.000 2.448 409 S HA 0.395 4.865 4.470 0.000 0.000 0.320 409 S C -1.825 172.759 174.600 -0.028 0.000 1.071 409 S CA -0.737 57.445 58.200 -0.029 0.000 1.113 409 S CB 1.564 64.747 63.200 -0.029 0.000 0.972 409 S HN 0.266 nan 8.310 nan 0.000 0.465 410 P HA -0.162 nan 4.420 nan 0.000 0.216 410 P C 1.737 179.039 177.300 0.003 0.000 1.150 410 P CA 1.372 64.469 63.100 -0.005 0.000 0.843 410 P CB 0.126 31.827 31.700 0.002 0.000 0.787 411 K N -0.435 119.968 120.400 0.005 0.000 2.280 411 K HA -0.126 4.194 4.320 0.000 0.000 0.202 411 K C 1.668 178.283 176.600 0.025 0.000 1.047 411 K CA 1.597 57.892 56.287 0.014 0.000 0.942 411 K CB -1.518 30.992 32.500 0.015 0.000 0.739 411 K HN 0.173 nan 8.250 nan 0.000 0.457 412 N N -0.119 118.598 118.700 0.029 0.000 2.268 412 N HA 0.219 4.959 4.740 0.000 0.000 0.204 412 N C -0.660 174.925 175.510 0.125 0.000 1.124 412 N CA -0.020 53.076 53.050 0.076 0.000 0.838 412 N CB 0.184 38.724 38.487 0.089 0.000 0.994 412 N HN 0.485 nan 8.380 nan 0.000 0.489 413 I N 1.094 121.704 120.570 0.066 0.000 2.321 413 I HA 0.124 4.294 4.170 0.000 0.000 0.291 413 I C 0.070 176.226 176.117 0.064 0.000 0.998 413 I CA -0.450 60.906 61.300 0.093 0.000 1.227 413 I CB 0.747 38.764 38.000 0.028 0.000 1.368 413 I HN 0.001 nan 8.210 nan 0.000 0.466 414 N N 4.246 122.977 118.700 0.052 0.000 2.741 414 N HA -0.212 4.528 4.740 0.000 0.000 0.250 414 N C 0.969 176.465 175.510 -0.023 0.000 1.115 414 N CA 0.943 53.984 53.050 -0.014 0.000 0.724 414 N CB -0.774 37.715 38.487 0.003 0.000 1.090 414 N HN 0.693 nan 8.380 nan 0.000 0.558 415 K N 0.359 120.749 120.400 -0.016 0.000 2.166 415 K HA 0.097 4.417 4.320 0.000 0.000 0.201 415 K C 1.535 178.114 176.600 -0.034 0.000 1.052 415 K CA 1.163 57.445 56.287 -0.008 0.000 0.969 415 K CB 0.434 32.948 32.500 0.023 0.000 0.761 415 K HN 0.082 nan 8.250 nan 0.000 0.459 416 V N -0.052 119.812 119.914 -0.083 0.000 2.743 416 V HA 0.118 4.238 4.120 0.000 0.000 0.237 416 V C 0.609 176.622 176.094 -0.136 0.000 1.113 416 V CA 0.201 62.440 62.300 -0.103 0.000 1.141 416 V CB 1.381 33.141 31.823 -0.105 0.000 0.873 416 V HN 0.099 nan 8.190 nan 0.000 0.486 417 V N 0.325 120.095 119.914 -0.240 0.000 2.789 417 V HA 0.579 4.699 4.120 0.000 0.000 0.311 417 V C -0.915 175.081 176.094 -0.164 0.000 1.073 417 V CA -0.727 61.468 62.300 -0.174 0.000 0.921 417 V CB 2.092 33.826 31.823 -0.149 0.000 1.009 417 V HN 0.487 nan 8.190 nan 0.000 0.426 418 Q N 3.357 123.110 119.800 -0.077 0.000 2.289 418 Q HA 0.428 4.768 4.340 0.000 0.000 0.273 418 Q C -0.017 175.957 176.000 -0.044 0.000 1.029 418 Q CA 0.645 56.419 55.803 -0.048 0.000 0.896 418 Q CB 0.936 29.660 28.738 -0.022 0.000 1.182 418 Q HN 1.042 nan 8.270 nan 0.000 0.385 419 T N 1.117 115.657 114.554 -0.024 0.000 2.945 419 T HA 0.378 4.728 4.350 0.000 0.000 0.286 419 T C 0.414 175.129 174.700 0.024 0.000 1.025 419 T CA -0.713 61.392 62.100 0.009 0.000 1.039 419 T CB 1.460 70.360 68.868 0.053 0.000 1.068 419 T HN 0.536 nan 8.240 nan 0.000 0.497 420 Q N 0.584 120.401 119.800 0.028 0.000 2.165 420 Q HA 0.443 4.783 4.340 0.000 0.000 0.197 420 Q C 0.068 176.079 176.000 0.018 0.000 0.952 420 Q CA 1.055 56.870 55.803 0.020 0.000 0.848 420 Q CB 0.082 28.828 28.738 0.014 0.000 0.931 420 Q HN 0.742 nan 8.270 nan 0.000 0.470 421 I N 0.179 120.756 120.570 0.012 0.000 2.498 421 I HA 0.605 4.775 4.170 0.000 0.000 0.290 421 I C -1.210 174.875 176.117 -0.054 0.000 1.032 421 I CA -1.220 60.059 61.300 -0.035 0.000 1.073 421 I CB 2.151 40.108 38.000 -0.072 0.000 1.251 421 I HN -0.127 nan 8.210 nan 0.000 0.426 422 A N 6.201 128.965 122.820 -0.093 0.000 2.319 422 A HA 0.739 5.059 4.320 0.000 0.000 0.310 422 A C -0.803 176.604 177.584 -0.295 0.000 1.152 422 A CA -0.486 51.481 52.037 -0.117 0.000 0.783 422 A CB 1.237 20.245 19.000 0.012 0.000 1.184 422 A HN 0.435 nan 8.150 nan 0.000 0.474 423 V N 3.944 123.602 119.914 -0.426 0.000 2.275 423 V HA 0.197 4.317 4.120 0.000 0.000 0.272 423 V C 0.214 176.129 176.094 -0.300 0.000 1.028 423 V CA -0.391 61.605 62.300 -0.507 0.000 0.810 423 V CB 0.468 31.714 31.823 -0.961 0.000 1.043 423 V HN 0.969 nan 8.190 nan 0.000 0.453 424 E N 2.875 122.968 120.200 -0.179 0.000 2.383 424 E HA 0.579 4.929 4.350 0.000 0.000 0.264 424 E C 0.737 177.312 176.600 -0.043 0.000 1.050 424 E CA 0.694 57.048 56.400 -0.076 0.000 0.896 424 E CB 1.314 31.018 29.700 0.007 0.000 0.982 424 E HN 0.964 nan 8.360 nan 0.000 0.424 425 G N 2.337 111.129 108.800 -0.014 0.000 2.498 425 G HA2 -0.197 3.763 3.960 0.000 0.000 0.651 425 G HA3 -0.197 3.763 3.960 0.000 0.000 0.651 425 G C -1.033 173.890 174.900 0.039 0.000 1.284 425 G CA -0.602 44.507 45.100 0.014 0.000 0.950 425 G HN 0.673 nan 8.290 nan 0.000 0.511 426 D N 0.491 120.924 120.400 0.055 0.000 2.450 426 D HA 0.544 5.184 4.640 0.000 0.000 0.247 426 D C 1.476 177.829 176.300 0.088 0.000 1.162 426 D CA 1.300 55.345 54.000 0.074 0.000 0.879 426 D CB 1.120 41.980 40.800 0.101 0.000 1.163 426 D HN 1.078 nan 8.370 nan 0.000 0.472 427 A N 3.242 126.115 122.820 0.087 0.000 1.858 427 A HA -0.178 4.142 4.320 0.000 0.000 0.216 427 A C 2.170 179.744 177.584 -0.016 0.000 1.190 427 A CA 1.951 54.044 52.037 0.093 0.000 0.617 427 A CB -0.963 18.056 19.000 0.031 0.000 0.827 427 A HN 0.697 nan 8.150 nan 0.000 0.443 428 T N -0.046 114.462 114.554 -0.077 0.000 2.665 428 T HA -0.165 4.185 4.350 0.000 0.000 0.268 428 T C 2.021 176.600 174.700 -0.201 0.000 1.035 428 T CA 2.108 64.082 62.100 -0.211 0.000 1.151 428 T CB -0.717 67.884 68.868 -0.445 0.000 0.862 428 T HN 0.572 nan 8.240 nan 0.000 0.438 429 T N 2.547 117.020 114.554 -0.134 0.000 2.684 429 T HA -0.117 4.233 4.350 0.000 0.000 0.267 429 T C 2.001 176.702 174.700 0.002 0.000 1.036 429 T CA 1.143 63.210 62.100 -0.054 0.000 1.148 429 T CB -0.397 68.487 68.868 0.027 0.000 0.863 429 T HN 0.333 nan 8.240 nan 0.000 0.436 430 N N 1.086 119.824 118.700 0.064 0.000 2.381 430 N HA 0.071 4.811 4.740 0.000 0.000 0.182 430 N C 1.809 177.413 175.510 0.156 0.000 1.025 430 N CA 0.555 53.689 53.050 0.139 0.000 0.888 430 N CB -0.328 38.308 38.487 0.248 0.000 0.965 430 N HN 0.368 nan 8.380 nan 0.000 0.438 431 L N 0.039 121.282 121.223 0.035 0.000 2.109 431 L HA -0.006 4.334 4.340 0.000 0.000 0.207 431 L C 2.375 179.229 176.870 -0.025 0.000 1.086 431 L CA 0.972 55.775 54.840 -0.061 0.000 0.760 431 L CB -0.642 41.300 42.059 -0.195 0.000 0.910 431 L HN 0.169 nan 8.230 nan 0.000 0.437 432 G N 0.016 108.797 108.800 -0.031 0.000 2.408 432 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 432 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 432 G C 1.658 176.562 174.900 0.007 0.000 1.150 432 G CA 0.352 45.440 45.100 -0.020 0.000 0.776 432 G HN 0.300 nan 8.290 nan 0.000 0.542 433 K N -0.657 119.755 120.400 0.020 0.000 2.296 433 K HA 0.217 4.537 4.320 0.000 0.000 0.200 433 K C 2.178 178.797 176.600 0.032 0.000 1.048 433 K CA 0.521 56.824 56.287 0.026 0.000 0.966 433 K CB -0.042 32.474 32.500 0.027 0.000 0.754 433 K HN 0.339 nan 8.250 nan 0.000 0.466 434 M N -0.018 119.611 119.600 0.048 0.000 2.492 434 M HA 0.034 4.514 4.480 0.000 0.000 0.255 434 M C 1.783 178.104 176.300 0.034 0.000 1.139 434 M CA 0.391 55.722 55.300 0.052 0.000 1.096 434 M CB 0.241 32.909 32.600 0.113 0.000 1.360 434 M HN 0.030 nan 8.290 nan 0.000 0.480 435 M N 0.816 120.432 119.600 0.026 0.000 2.088 435 M HA -0.230 4.250 4.480 0.000 0.000 0.256 435 M C 2.310 178.633 176.300 0.039 0.000 1.071 435 M CA 2.738 58.053 55.300 0.026 0.000 1.097 435 M CB -0.592 32.019 32.600 0.019 0.000 1.315 435 M HN 0.493 nan 8.290 nan 0.000 0.406 436 S N -0.708 115.016 115.700 0.040 0.000 2.383 436 S HA -0.193 4.277 4.470 0.000 0.000 0.229 436 S C 1.789 176.432 174.600 0.072 0.000 1.030 436 S CA 1.511 59.744 58.200 0.055 0.000 1.002 436 S CB -0.820 62.407 63.200 0.047 0.000 0.829 436 S HN 0.636 nan 8.310 nan 0.000 0.467 437 K N 0.527 120.950 120.400 0.039 0.000 2.504 437 K HA 0.185 4.505 4.320 0.000 0.000 0.195 437 K C -0.105 176.458 176.600 -0.062 0.000 1.036 437 K CA 0.173 56.462 56.287 0.005 0.000 0.984 437 K CB -0.139 32.343 32.500 -0.031 0.000 0.788 437 K HN 0.389 nan 8.250 nan 0.000 0.488 438 I N 1.691 122.264 120.570 0.006 0.000 2.371 438 I HA 0.112 4.282 4.170 0.000 0.000 0.290 438 I C 0.245 176.468 176.117 0.176 0.000 1.028 438 I CA -0.475 60.825 61.300 -0.001 0.000 1.345 438 I CB -0.048 37.971 38.000 0.031 0.000 1.407 438 I HN -0.057 nan 8.210 nan 0.000 0.501 439 F N 6.882 126.848 119.950 0.026 0.000 2.467 439 F HA 0.195 4.722 4.527 0.000 0.000 0.362 439 F C -1.597 174.217 175.800 0.023 0.000 1.090 439 F CA -1.953 56.060 58.000 0.021 0.000 1.202 439 F CB 0.707 39.718 39.000 0.018 0.000 1.113 439 F HN 0.221 nan 8.300 nan 0.000 0.541 440 P HA 0.023 nan 4.420 nan 0.000 0.269 440 P C -0.599 176.754 177.300 0.089 0.000 1.263 440 P CA 0.062 63.229 63.100 0.112 0.000 0.813 440 P CB 0.395 32.136 31.700 0.068 0.000 0.868 441 V N 5.249 125.217 119.914 0.090 0.000 2.614 441 V HA 0.033 4.153 4.120 0.000 0.000 0.291 441 V C 1.771 177.879 176.094 0.023 0.000 1.049 441 V CA 0.162 62.501 62.300 0.063 0.000 1.038 441 V CB 1.105 32.972 31.823 0.074 0.000 0.980 441 V HN 0.581 nan 8.190 nan 0.000 0.481 442 K N 2.751 123.150 120.400 -0.001 0.000 2.211 442 K HA 0.411 4.731 4.320 0.000 0.000 0.201 442 K C 0.448 177.007 176.600 -0.068 0.000 1.052 442 K CA 1.095 57.367 56.287 -0.025 0.000 0.973 442 K CB 0.366 32.852 32.500 -0.023 0.000 0.766 442 K HN 0.760 nan 8.250 nan 0.000 0.466 443 E N 1.023 121.172 120.200 -0.086 0.000 2.396 443 E HA 0.439 4.789 4.350 0.000 0.000 0.280 443 E C -1.334 175.174 176.600 -0.154 0.000 1.065 443 E CA -0.927 55.369 56.400 -0.174 0.000 0.831 443 E CB 1.036 30.653 29.700 -0.140 0.000 1.272 443 E HN 0.287 nan 8.360 nan 0.000 0.443 444 R N 1.211 121.544 120.500 -0.278 0.000 2.638 444 R HA 0.327 4.667 4.340 0.000 0.000 0.269 444 R C 0.758 177.064 176.300 0.009 0.000 1.393 444 R CA 0.014 56.081 56.100 -0.056 0.000 1.531 444 R CB 0.627 31.022 30.300 0.159 0.000 1.327 444 R HN 0.483 nan 8.270 nan 0.000 0.709 445 S N 1.490 117.176 115.700 -0.022 0.000 2.378 445 S HA -0.326 4.144 4.470 0.000 0.000 0.229 445 S C 2.437 177.109 174.600 0.121 0.000 1.052 445 S CA 2.367 60.584 58.200 0.029 0.000 1.084 445 S CB 0.034 63.237 63.200 0.006 0.000 0.950 445 S HN 0.763 nan 8.310 nan 0.000 0.440 446 E N 0.826 121.106 120.200 0.133 0.000 2.038 446 E HA -0.210 4.140 4.350 0.000 0.000 0.195 446 E C 1.678 178.441 176.600 0.272 0.000 1.000 446 E CA 1.523 58.013 56.400 0.150 0.000 0.803 446 E CB -1.475 28.295 29.700 0.116 0.000 0.750 446 E HN 0.819 nan 8.360 nan 0.000 0.448 447 W N -0.763 120.602 121.300 0.108 0.000 2.333 447 W HA -0.172 4.488 4.660 0.000 0.000 0.316 447 W C 2.017 178.629 176.519 0.155 0.000 1.215 447 W CA 1.254 58.682 57.345 0.139 0.000 1.278 447 W CB -0.174 29.433 29.460 0.245 0.000 1.154 447 W HN 0.319 nan 8.180 nan 0.000 0.486 448 F N 0.768 120.724 119.950 0.011 0.000 2.365 448 F HA -0.098 4.429 4.527 0.000 0.000 0.300 448 F C 2.531 178.240 175.800 -0.151 0.000 1.090 448 F CA 1.416 59.327 58.000 -0.149 0.000 1.408 448 F CB -1.458 37.511 39.000 -0.052 0.000 1.060 448 F HN -0.087 nan 8.300 nan 0.000 0.534 449 A N -0.470 122.400 122.820 0.083 0.000 1.873 449 A HA -0.224 4.096 4.320 0.000 0.000 0.215 449 A C 2.142 179.626 177.584 -0.167 0.000 1.186 449 A CA 1.618 53.642 52.037 -0.021 0.000 0.616 449 A CB -0.789 18.213 19.000 0.003 0.000 0.823 449 A HN 0.322 nan 8.150 nan 0.000 0.442 450 Q N 0.258 119.911 119.800 -0.244 0.000 2.084 450 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 450 Q C 1.710 177.190 176.000 -0.866 0.000 0.978 450 Q CA 1.915 57.376 55.803 -0.571 0.000 0.844 450 Q CB -0.503 27.917 28.738 -0.530 0.000 0.898 450 Q HN 0.686 nan 8.270 nan 0.000 0.426 451 I N 0.386 120.572 120.570 -0.641 0.000 2.252 451 I HA -0.255 3.915 4.170 0.000 0.000 0.245 451 I C 1.750 177.758 176.117 -0.183 0.000 1.102 451 I CA 0.964 62.022 61.300 -0.404 0.000 1.385 451 I CB -0.416 37.234 38.000 -0.583 0.000 1.064 451 I HN 0.273 nan 8.210 nan 0.000 0.414 452 N N 1.648 120.236 118.700 -0.187 0.000 2.223 452 N HA -0.180 4.560 4.740 0.000 0.000 0.185 452 N C 1.698 177.171 175.510 -0.062 0.000 1.016 452 N CA 1.267 54.264 53.050 -0.088 0.000 0.863 452 N CB -0.209 38.246 38.487 -0.052 0.000 0.983 452 N HN 0.561 nan 8.380 nan 0.000 0.429 453 K N -0.867 119.459 120.400 -0.124 0.000 2.296 453 K HA -0.044 4.277 4.320 0.000 0.000 0.200 453 K C 1.569 178.186 176.600 0.029 0.000 1.048 453 K CA 0.514 56.749 56.287 -0.087 0.000 0.966 453 K CB -0.173 32.239 32.500 -0.147 0.000 0.754 453 K HN 0.098 nan 8.250 nan 0.000 0.466 454 W N 2.590 123.886 121.300 -0.007 0.000 2.409 454 W HA 0.077 4.737 4.660 0.000 0.000 0.299 454 W C 1.751 178.297 176.519 0.044 0.000 1.203 454 W CA 0.551 57.947 57.345 0.084 0.000 1.298 454 W CB -0.307 29.212 29.460 0.099 0.000 1.127 454 W HN 0.086 nan 8.180 nan 0.000 0.528 455 K N 0.379 120.902 120.400 0.204 0.000 2.147 455 K HA -0.159 4.161 4.320 0.000 0.000 0.205 455 K C 2.364 178.985 176.600 0.035 0.000 1.049 455 K CA 2.148 58.480 56.287 0.076 0.000 0.936 455 K CB -0.284 32.225 32.500 0.017 0.000 0.722 455 K HN 0.072 nan 8.250 nan 0.000 0.446 456 K N 1.049 121.461 120.400 0.021 0.000 2.167 456 K HA -0.045 4.275 4.320 0.000 0.000 0.203 456 K C 2.078 178.651 176.600 -0.045 0.000 1.052 456 K CA 1.600 57.880 56.287 -0.012 0.000 0.956 456 K CB -0.947 31.540 32.500 -0.020 0.000 0.735 456 K HN 0.433 nan 8.250 nan 0.000 0.451 457 E N -0.866 119.279 120.200 -0.092 0.000 2.250 457 E HA 0.164 4.514 4.350 0.000 0.000 0.192 457 E C 0.492 176.851 176.600 -0.401 0.000 0.986 457 E CA 0.470 56.695 56.400 -0.292 0.000 0.849 457 E CB -0.168 29.259 29.700 -0.456 0.000 0.797 457 E HN 0.796 nan 8.360 nan 0.000 0.482 458 Y N 0.951 121.290 120.300 0.064 0.000 2.553 458 Y HA 0.312 4.862 4.550 0.000 0.000 0.369 458 Y C -2.313 173.539 175.900 -0.080 0.000 0.964 458 Y CA -2.422 55.682 58.100 0.006 0.000 1.156 458 Y CB 1.403 39.832 38.460 -0.052 0.000 1.218 458 Y HN 0.170 nan 8.280 nan 0.000 0.630 459 P HA 0.086 nan 4.420 nan 0.000 0.281 459 P C -0.634 176.705 177.300 0.065 0.000 1.264 459 P CA -0.502 62.596 63.100 -0.003 0.000 0.824 459 P CB 1.205 32.928 31.700 0.038 0.000 1.092 460 Y N 0.223 120.587 120.300 0.107 0.000 2.641 460 Y HA 0.156 4.706 4.550 0.000 0.000 0.338 460 Y C 1.430 177.479 175.900 0.248 0.000 1.203 460 Y CA -0.755 57.435 58.100 0.150 0.000 1.954 460 Y CB -0.743 37.745 38.460 0.047 0.000 1.960 460 Y HN 0.331 nan 8.280 nan 0.000 0.417 461 A N 3.350 126.357 122.820 0.312 0.000 2.351 461 A HA 0.589 4.909 4.320 0.000 0.000 0.257 461 A C -0.814 176.626 177.584 -0.240 0.000 1.087 461 A CA -0.181 51.919 52.037 0.104 0.000 0.798 461 A CB 0.288 19.451 19.000 0.273 0.000 1.033 461 A HN 0.708 nan 8.150 nan 0.000 0.488 462 Y N -1.626 118.156 120.300 -0.862 0.000 2.662 462 Y HA 0.539 5.089 4.550 0.000 0.000 0.334 462 Y C -0.900 174.443 175.900 -0.928 0.000 1.185 462 Y CA -1.625 55.644 58.100 -1.386 0.000 1.074 462 Y CB 0.774 38.876 38.460 -0.597 0.000 1.330 462 Y HN 0.589 nan 8.280 nan 0.000 0.458 463 M N 3.292 122.628 119.600 -0.439 0.000 2.522 463 M HA 0.215 4.695 4.480 0.000 0.000 0.333 463 M C -0.557 175.733 176.300 -0.018 0.000 1.632 463 M CA 0.587 55.899 55.300 0.020 0.000 1.293 463 M CB -0.441 32.301 32.600 0.236 0.000 1.857 463 M HN 0.681 nan 8.290 nan 0.000 0.456 464 E N 2.450 122.530 120.200 -0.201 0.000 2.392 464 E HA 0.103 4.453 4.350 0.000 0.000 0.256 464 E C -0.317 176.270 176.600 -0.021 0.000 1.145 464 E CA -0.455 55.861 56.400 -0.140 0.000 0.929 464 E CB 0.526 30.075 29.700 -0.252 0.000 0.998 464 E HN 0.551 nan 8.360 nan 0.000 0.442 465 E N 0.733 120.932 120.200 -0.002 0.000 2.437 465 E HA 0.024 4.374 4.350 0.000 0.000 0.263 465 E C -0.377 176.218 176.600 -0.007 0.000 1.030 465 E CA 0.492 56.890 56.400 -0.003 0.000 0.934 465 E CB 0.547 30.241 29.700 -0.010 0.000 0.943 465 E HN 0.427 nan 8.360 nan 0.000 0.444 466 T N -0.797 113.758 114.554 0.001 0.000 2.906 466 T HA 0.527 4.878 4.350 0.000 0.000 0.295 466 T C -2.666 172.035 174.700 0.001 0.000 1.075 466 T CA -2.417 59.684 62.100 0.002 0.000 1.005 466 T CB 1.613 70.488 68.868 0.011 0.000 1.136 466 T HN 0.182 nan 8.240 nan 0.000 0.498 467 P HA 0.228 nan 4.420 nan 0.000 0.258 467 P C 1.050 178.351 177.300 0.002 0.000 1.187 467 P CA 1.064 64.164 63.100 -0.001 0.000 0.767 467 P CB 0.131 31.830 31.700 -0.001 0.000 0.770 468 G N 2.440 111.241 108.800 0.001 0.000 2.217 468 G HA2 -0.253 3.707 3.960 0.000 0.000 0.246 468 G HA3 -0.253 3.707 3.960 0.000 0.000 0.246 468 G C 0.377 175.280 174.900 0.006 0.000 0.990 468 G CA 0.296 45.398 45.100 0.003 0.000 0.627 468 G HN 0.861 nan 8.290 nan 0.000 0.522 469 S N -0.020 115.684 115.700 0.008 0.000 2.655 469 S HA 0.692 5.162 4.470 0.000 0.000 0.265 469 S C 0.452 175.055 174.600 0.006 0.000 1.240 469 S CA -0.056 58.151 58.200 0.013 0.000 0.986 469 S CB 1.522 64.733 63.200 0.018 0.000 0.985 469 S HN 0.477 nan 8.310 nan 0.000 0.562 470 K N 0.029 120.434 120.400 0.008 0.000 2.120 470 K HA 0.370 4.690 4.320 0.000 0.000 0.245 470 K C -0.111 176.479 176.600 -0.018 0.000 1.024 470 K CA -0.425 55.861 56.287 -0.002 0.000 0.906 470 K CB 0.301 32.805 32.500 0.006 0.000 1.051 470 K HN 0.544 nan 8.250 nan 0.000 0.491 471 I N 2.411 122.962 120.570 -0.032 0.000 2.692 471 I HA -0.036 4.134 4.170 0.000 0.000 0.284 471 I C 0.538 176.603 176.117 -0.087 0.000 1.159 471 I CA 0.115 61.381 61.300 -0.056 0.000 1.423 471 I CB 0.352 38.314 38.000 -0.063 0.000 1.380 471 I HN 0.224 nan 8.210 nan 0.000 0.580 472 K N 7.269 127.599 120.400 -0.117 0.000 2.143 472 K HA 0.283 4.603 4.320 0.000 0.000 0.272 472 K C -1.840 174.547 176.600 -0.354 0.000 1.001 472 K CA -1.900 54.260 56.287 -0.212 0.000 0.915 472 K CB 1.033 33.445 32.500 -0.145 0.000 1.047 472 K HN 0.175 nan 8.250 nan 0.000 0.458 473 P HA -0.169 nan 4.420 nan 0.000 0.215 473 P C 0.855 177.737 177.300 -0.697 0.000 1.157 473 P CA 1.463 64.212 63.100 -0.586 0.000 0.868 473 P CB 0.364 31.504 31.700 -0.933 0.000 0.788 474 Q N -1.135 117.967 119.800 -1.163 0.000 2.135 474 Q HA -0.124 4.216 4.340 0.000 0.000 0.204 474 Q C 2.121 177.609 176.000 -0.854 0.000 0.981 474 Q CA 2.054 57.069 55.803 -1.312 0.000 0.856 474 Q CB -1.651 25.693 28.738 -2.322 0.000 0.902 474 Q HN 0.241 nan 8.270 nan 0.000 0.425 475 T N 0.012 114.211 114.554 -0.592 0.000 2.746 475 T HA -0.107 4.243 4.350 0.000 0.000 0.267 475 T C 1.918 176.503 174.700 -0.192 0.000 1.039 475 T CA 1.284 63.234 62.100 -0.249 0.000 1.142 475 T CB -0.282 68.518 68.868 -0.113 0.000 0.866 475 T HN 0.064 nan 8.240 nan 0.000 0.444 476 V N 2.056 121.852 119.914 -0.196 0.000 2.332 476 V HA -0.158 3.962 4.120 0.000 0.000 0.248 476 V C 2.488 178.549 176.094 -0.055 0.000 1.055 476 V CA 1.226 63.461 62.300 -0.109 0.000 1.038 476 V CB -0.663 31.100 31.823 -0.100 0.000 0.651 476 V HN 0.440 nan 8.190 nan 0.000 0.450 477 I N 0.210 120.742 120.570 -0.063 0.000 2.179 477 I HA -0.213 3.957 4.170 0.000 0.000 0.242 477 I C 2.443 178.550 176.117 -0.017 0.000 1.088 477 I CA 1.739 63.079 61.300 0.067 0.000 1.357 477 I CB -1.314 36.755 38.000 0.115 0.000 1.051 477 I HN 0.383 nan 8.210 nan 0.000 0.409 478 K N 1.056 121.394 120.400 -0.102 0.000 2.032 478 K HA -0.189 4.131 4.320 0.000 0.000 0.209 478 K C 2.153 178.651 176.600 -0.170 0.000 1.048 478 K CA 1.418 57.625 56.287 -0.134 0.000 0.927 478 K CB -0.204 32.239 32.500 -0.095 0.000 0.712 478 K HN 0.311 nan 8.250 nan 0.000 0.441 479 K N 0.746 121.073 120.400 -0.120 0.000 2.026 479 K HA -0.144 4.177 4.320 0.000 0.000 0.208 479 K C 2.155 178.689 176.600 -0.110 0.000 1.048 479 K CA 1.054 57.279 56.287 -0.103 0.000 0.929 479 K CB -0.257 32.203 32.500 -0.067 0.000 0.713 479 K HN 0.005 nan 8.250 nan 0.000 0.439 480 L N 1.112 122.298 121.223 -0.061 0.000 2.083 480 L HA -0.170 4.170 4.340 0.000 0.000 0.209 480 L C 2.319 179.060 176.870 -0.215 0.000 1.083 480 L CA 1.688 56.532 54.840 0.008 0.000 0.752 480 L CB -0.768 41.413 42.059 0.203 0.000 0.899 480 L HN 0.072 nan 8.230 nan 0.000 0.433 481 S N -0.687 114.670 115.700 -0.571 0.000 2.359 481 S HA -0.306 4.164 4.470 0.000 0.000 0.224 481 S C 2.213 176.355 174.600 -0.762 0.000 1.035 481 S CA 1.969 59.344 58.200 -1.375 0.000 1.018 481 S CB -0.335 62.057 63.200 -1.347 0.000 0.876 481 S HN 0.602 nan 8.310 nan 0.000 0.448 482 K N 0.178 120.315 120.400 -0.439 0.000 2.031 482 K HA -0.018 4.302 4.320 0.000 0.000 0.205 482 K C 1.973 178.461 176.600 -0.186 0.000 1.049 482 K CA 1.476 57.597 56.287 -0.277 0.000 0.939 482 K CB -0.320 32.065 32.500 -0.192 0.000 0.717 482 K HN 0.291 nan 8.250 nan 0.000 0.438 483 V N 1.563 121.394 119.914 -0.138 0.000 2.332 483 V HA -0.272 3.848 4.120 0.000 0.000 0.248 483 V C 2.465 178.529 176.094 -0.049 0.000 1.055 483 V CA 2.063 64.325 62.300 -0.065 0.000 1.038 483 V CB -0.736 31.079 31.823 -0.013 0.000 0.651 483 V HN 0.520 nan 8.190 nan 0.000 0.450 484 A N 0.410 123.194 122.820 -0.059 0.000 1.898 484 A HA -0.248 4.072 4.320 0.000 0.000 0.216 484 A C 2.080 179.649 177.584 -0.025 0.000 1.181 484 A CA 2.085 54.126 52.037 0.008 0.000 0.620 484 A CB -0.804 18.285 19.000 0.147 0.000 0.819 484 A HN 0.615 nan 8.150 nan 0.000 0.442 485 N N 0.557 119.192 118.700 -0.108 0.000 2.120 485 N HA -0.153 4.587 4.740 0.000 0.000 0.188 485 N C 0.767 176.242 175.510 -0.059 0.000 1.024 485 N CA 1.721 54.714 53.050 -0.094 0.000 0.852 485 N CB -0.322 38.063 38.487 -0.170 0.000 1.003 485 N HN 0.353 nan 8.380 nan 0.000 0.424 486 D N -1.119 119.242 120.400 -0.064 0.000 2.392 486 D HA -0.074 4.566 4.640 0.000 0.000 0.228 486 D C 1.360 177.647 176.300 -0.022 0.000 1.003 486 D CA 1.042 55.016 54.000 -0.042 0.000 0.917 486 D CB -0.381 40.392 40.800 -0.045 0.000 0.890 486 D HN 0.589 nan 8.370 nan 0.000 0.532 487 T N -3.793 110.753 114.554 -0.014 0.000 3.054 487 T HA 0.213 4.563 4.350 0.000 0.000 0.259 487 T C 1.844 176.549 174.700 0.008 0.000 1.092 487 T CA 0.864 62.963 62.100 -0.001 0.000 1.121 487 T CB 0.342 69.212 68.868 0.003 0.000 0.912 487 T HN 0.168 nan 8.240 nan 0.000 0.489 488 G N 1.918 110.723 108.800 0.009 0.000 2.212 488 G HA2 -0.293 3.667 3.960 0.000 0.000 0.266 488 G HA3 -0.293 3.667 3.960 0.000 0.000 0.266 488 G C 0.312 175.237 174.900 0.041 0.000 0.978 488 G CA 0.234 45.346 45.100 0.020 0.000 0.632 488 G HN 0.729 nan 8.290 nan 0.000 0.537 489 R N 0.063 120.591 120.500 0.047 0.000 2.577 489 R HA 0.441 4.781 4.340 0.000 0.000 0.269 489 R C 0.429 176.795 176.300 0.110 0.000 1.084 489 R CA -0.670 55.477 56.100 0.078 0.000 1.163 489 R CB 0.451 30.790 30.300 0.065 0.000 1.100 489 R HN 0.385 nan 8.270 nan 0.000 0.547 490 H N 1.164 120.268 119.070 0.058 0.000 2.767 490 H HA 0.142 4.698 4.556 0.000 0.000 0.316 490 H C -1.034 174.351 175.328 0.095 0.000 1.059 490 H CA -0.019 56.075 56.048 0.078 0.000 1.461 490 H CB 0.668 30.471 29.762 0.069 0.000 1.475 490 H HN 0.106 nan 8.280 nan 0.000 0.531 491 V N 7.972 127.718 119.914 -0.280 0.000 2.459 491 V HA 0.317 4.437 4.120 0.000 0.000 0.295 491 V C 0.345 176.370 176.094 -0.114 0.000 1.029 491 V CA -0.690 61.562 62.300 -0.080 0.000 0.874 491 V CB 1.671 33.556 31.823 0.103 0.000 0.985 491 V HN 0.621 nan 8.190 nan 0.000 0.438 492 I N 4.440 125.020 120.570 0.018 0.000 2.465 492 I HA 0.547 4.717 4.170 0.000 0.000 0.291 492 I C -0.875 175.272 176.117 0.051 0.000 1.014 492 I CA -0.831 60.509 61.300 0.066 0.000 1.093 492 I CB 2.255 40.324 38.000 0.116 0.000 1.267 492 I HN 0.271 nan 8.210 nan 0.000 0.431 493 V N 4.465 124.422 119.914 0.072 0.000 2.448 493 V HA 0.532 4.652 4.120 0.000 0.000 0.295 493 V C 0.179 176.314 176.094 0.068 0.000 1.025 493 V CA -0.438 61.883 62.300 0.036 0.000 0.859 493 V CB 1.968 33.744 31.823 -0.078 0.000 0.988 493 V HN 0.887 nan 8.190 nan 0.000 0.431 494 T N 0.741 115.308 114.554 0.022 0.000 2.942 494 T HA 0.921 5.271 4.350 0.000 0.000 0.289 494 T C -0.218 174.505 174.700 0.038 0.000 1.044 494 T CA -0.347 61.735 62.100 -0.030 0.000 1.023 494 T CB 2.198 71.027 68.868 -0.065 0.000 1.123 494 T HN 0.898 nan 8.240 nan 0.000 0.512 495 T N -2.092 112.489 114.554 0.046 0.000 2.816 495 T HA 0.764 5.114 4.350 0.000 0.000 0.299 495 T C 0.487 175.311 174.700 0.207 0.000 1.230 495 T CA -0.391 61.804 62.100 0.158 0.000 1.007 495 T CB 1.256 70.221 68.868 0.162 0.000 1.289 495 T HN 1.016 nan 8.240 nan 0.000 0.508 496 G N -0.292 108.760 108.800 0.421 0.000 2.714 496 G HA2 0.606 4.566 3.960 0.000 0.000 0.197 496 G HA3 0.606 4.566 3.960 0.000 0.000 0.197 496 G C -0.998 174.038 174.900 0.227 0.000 1.449 496 G CA -0.672 44.656 45.100 0.379 0.000 1.065 496 G HN 0.925 nan 8.290 nan 0.000 0.575 497 V N -0.107 119.904 119.914 0.162 0.000 2.588 497 V HA 0.808 4.928 4.120 0.000 0.000 0.304 497 V C 0.646 176.687 176.094 -0.088 0.000 1.042 497 V CA 0.671 62.930 62.300 -0.068 0.000 0.877 497 V CB 0.727 32.506 31.823 -0.073 0.000 0.996 497 V HN 1.717 nan 8.190 nan 0.000 0.425 498 G N 3.579 112.203 108.800 -0.292 0.000 2.278 498 G HA2 -0.014 3.946 3.960 0.000 0.000 0.265 498 G HA3 -0.014 3.946 3.960 0.000 0.000 0.265 498 G C 0.051 174.682 174.900 -0.448 0.000 1.329 498 G CA 0.016 44.966 45.100 -0.251 0.000 1.017 498 G HN 0.451 nan 8.290 nan 0.000 0.472 499 Q N -0.568 118.974 119.800 -0.430 0.000 2.061 499 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 499 Q C 2.275 177.809 176.000 -0.777 0.000 0.984 499 Q CA 2.062 57.343 55.803 -0.869 0.000 0.846 499 Q CB -0.324 27.764 28.738 -1.083 0.000 0.902 499 Q HN 0.813 nan 8.270 nan 0.000 0.421 500 H N 0.403 119.374 119.070 -0.166 0.000 2.422 500 H HA -0.170 4.386 4.556 0.000 0.000 0.298 500 H C 1.849 177.238 175.328 0.101 0.000 1.098 500 H CA 1.646 57.787 56.048 0.155 0.000 1.315 500 H CB -0.250 29.597 29.762 0.141 0.000 1.382 500 H HN 0.393 nan 8.280 nan 0.000 0.523 501 Q N 0.211 119.564 119.800 -0.745 0.000 2.079 501 Q HA -0.088 4.252 4.340 0.000 0.000 0.200 501 Q C 2.138 178.074 176.000 -0.107 0.000 0.974 501 Q CA 1.120 56.714 55.803 -0.349 0.000 0.840 501 Q CB 0.171 28.642 28.738 -0.445 0.000 0.898 501 Q HN 0.310 nan 8.270 nan 0.000 0.430 502 M N -0.691 118.747 119.600 -0.271 0.000 2.132 502 M HA -0.153 4.327 4.480 0.000 0.000 0.263 502 M C 1.824 178.057 176.300 -0.111 0.000 1.065 502 M CA 1.064 56.222 55.300 -0.237 0.000 1.122 502 M CB -1.086 31.219 32.600 -0.492 0.000 1.365 502 M HN 0.398 nan 8.290 nan 0.000 0.411 503 W N 0.526 121.790 121.300 -0.059 0.000 2.402 503 W HA -0.001 4.659 4.660 0.000 0.000 0.286 503 W C 2.633 179.198 176.519 0.077 0.000 1.221 503 W CA 1.352 58.700 57.345 0.005 0.000 1.257 503 W CB -1.323 28.137 29.460 0.001 0.000 1.120 503 W HN 0.283 nan 8.180 nan 0.000 0.551 504 A N 0.484 123.499 122.820 0.325 0.000 1.898 504 A HA 0.014 4.334 4.320 0.000 0.000 0.216 504 A C 2.252 180.021 177.584 0.308 0.000 1.181 504 A CA 2.490 54.724 52.037 0.328 0.000 0.620 504 A CB -1.000 18.208 19.000 0.346 0.000 0.819 504 A HN 0.100 nan 8.150 nan 0.000 0.442 505 A N -0.555 122.390 122.820 0.208 0.000 1.898 505 A HA -0.187 4.133 4.320 0.000 0.000 0.216 505 A C 2.152 179.856 177.584 0.199 0.000 1.181 505 A CA 1.656 53.764 52.037 0.118 0.000 0.620 505 A CB -0.525 18.510 19.000 0.057 0.000 0.819 505 A HN 0.660 nan 8.150 nan 0.000 0.442 506 Q N -1.169 118.599 119.800 -0.055 0.000 2.020 506 Q HA -0.097 4.243 4.340 0.000 0.000 0.198 506 Q C 1.566 177.306 176.000 -0.433 0.000 0.974 506 Q CA 1.290 56.812 55.803 -0.469 0.000 0.829 506 Q CB -0.246 27.764 28.738 -1.213 0.000 0.894 506 Q HN 0.769 nan 8.270 nan 0.000 0.433 507 H N -1.566 117.447 119.070 -0.094 0.000 2.533 507 H HA 0.019 4.575 4.556 0.000 0.000 0.271 507 H C -0.054 175.239 175.328 -0.059 0.000 1.000 507 H CA 0.139 56.156 56.048 -0.052 0.000 1.149 507 H CB 0.131 29.843 29.762 -0.085 0.000 1.375 507 H HN 0.284 nan 8.280 nan 0.000 0.582 508 W N 1.872 123.011 121.300 -0.269 0.000 2.512 508 W HA 0.178 4.838 4.660 0.000 0.000 0.335 508 W C -0.600 175.435 176.519 -0.806 0.000 1.088 508 W CA -0.429 56.539 57.345 -0.629 0.000 1.236 508 W CB 1.464 30.277 29.460 -1.079 0.000 1.307 508 W HN -0.265 nan 8.180 nan 0.000 0.567 509 T N 5.358 119.446 114.554 -0.776 0.000 2.891 509 T HA 0.125 4.475 4.350 0.000 0.000 0.315 509 T C -0.659 173.854 174.700 -0.310 0.000 1.054 509 T CA -0.016 61.822 62.100 -0.436 0.000 0.958 509 T CB -0.393 68.273 68.868 -0.337 0.000 1.008 509 T HN 0.204 nan 8.240 nan 0.000 0.521 510 W N 2.749 124.150 121.300 0.170 0.000 2.287 510 W HA 0.414 5.074 4.660 0.000 0.000 0.313 510 W C 1.350 177.915 176.519 0.076 0.000 1.267 510 W CA -0.862 56.572 57.345 0.148 0.000 1.201 510 W CB 0.763 30.260 29.460 0.061 0.000 1.196 510 W HN 0.535 nan 8.180 nan 0.000 0.536 511 R N 0.995 121.664 120.500 0.281 0.000 2.676 511 R HA 0.094 4.434 4.340 0.000 0.000 0.241 511 R C -0.281 176.095 176.300 0.126 0.000 0.964 511 R CA -0.303 55.879 56.100 0.137 0.000 1.054 511 R CB 0.249 30.586 30.300 0.061 0.000 1.603 511 R HN 0.362 nan 8.270 nan 0.000 0.577 512 N N 2.269 121.079 118.700 0.182 0.000 2.361 512 N HA 0.365 5.105 4.740 0.000 0.000 0.302 512 N C -2.840 172.761 175.510 0.152 0.000 1.074 512 N CA -1.809 51.337 53.050 0.160 0.000 0.850 512 N CB 1.747 40.336 38.487 0.169 0.000 1.228 512 N HN -0.220 nan 8.380 nan 0.000 0.491 513 P HA 0.139 nan 4.420 nan 0.000 0.275 513 P C -0.481 176.845 177.300 0.044 0.000 1.228 513 P CA 0.354 63.429 63.100 -0.042 0.000 0.786 513 P CB 0.207 31.871 31.700 -0.061 0.000 0.927 514 H N -0.176 118.951 119.070 0.094 0.000 2.839 514 H HA -0.116 4.440 4.556 0.000 0.000 0.298 514 H C 0.517 175.920 175.328 0.125 0.000 1.224 514 H CA 1.379 57.477 56.048 0.083 0.000 1.144 514 H CB -2.404 27.402 29.762 0.074 0.000 1.372 514 H HN 0.549 nan 8.280 nan 0.000 0.408 515 T N -3.941 110.723 114.554 0.185 0.000 3.040 515 T HA 0.256 4.606 4.350 0.000 0.000 0.266 515 T C 0.029 174.858 174.700 0.215 0.000 1.005 515 T CA -0.267 61.952 62.100 0.198 0.000 0.906 515 T CB 0.376 69.368 68.868 0.206 0.000 1.082 515 T HN 0.121 nan 8.240 nan 0.000 0.531 516 F N 2.289 122.150 119.950 -0.148 0.000 2.445 516 F HA 0.666 5.193 4.527 0.000 0.000 0.348 516 F C -1.361 174.322 175.800 -0.196 0.000 1.125 516 F CA -2.722 55.071 58.000 -0.346 0.000 0.983 516 F CB 1.089 39.528 39.000 -0.936 0.000 1.198 516 F HN 0.040 nan 8.300 nan 0.000 0.436 517 I N 5.752 126.099 120.570 -0.372 0.000 2.405 517 I HA 0.308 4.478 4.170 0.000 0.000 0.280 517 I C -0.164 175.744 176.117 -0.350 0.000 1.027 517 I CA -0.245 60.889 61.300 -0.278 0.000 1.161 517 I CB 1.513 39.468 38.000 -0.075 0.000 1.300 517 I HN 0.508 nan 8.210 nan 0.000 0.463 518 T N 3.198 117.449 114.554 -0.505 0.000 2.903 518 T HA 0.312 4.662 4.350 0.000 0.000 0.299 518 T C -0.697 173.714 174.700 -0.482 0.000 1.093 518 T CA -0.430 61.398 62.100 -0.453 0.000 1.002 518 T CB 1.980 70.366 68.868 -0.803 0.000 1.127 518 T HN 0.390 nan 8.240 nan 0.000 0.488 519 S N 1.863 117.180 115.700 -0.638 0.000 2.400 519 S HA 0.507 4.977 4.470 0.000 0.000 0.295 519 S C 1.119 175.488 174.600 -0.386 0.000 1.113 519 S CA 0.065 57.833 58.200 -0.721 0.000 1.064 519 S CB -0.077 62.578 63.200 -0.908 0.000 0.990 519 S HN 0.871 nan 8.310 nan 0.000 0.502 520 G N 3.914 112.536 108.800 -0.297 0.000 2.742 520 G HA2 0.209 4.169 3.960 0.000 0.000 0.204 520 G HA3 0.209 4.169 3.960 0.000 0.000 0.204 520 G C 1.243 176.054 174.900 -0.147 0.000 1.126 520 G CA 0.417 45.402 45.100 -0.192 0.000 0.829 520 G HN 0.782 nan 8.290 nan 0.000 0.574 521 G N 1.052 109.769 108.800 -0.137 0.000 2.453 521 G HA2 -0.116 3.844 3.960 0.000 0.000 0.215 521 G HA3 -0.116 3.844 3.960 0.000 0.000 0.215 521 G C 1.687 176.534 174.900 -0.089 0.000 1.201 521 G CA 1.194 46.238 45.100 -0.093 0.000 0.784 521 G HN 0.342 nan 8.290 nan 0.000 0.545 522 L N 0.645 121.807 121.223 -0.103 0.000 2.307 522 L HA 0.370 4.710 4.340 0.000 0.000 0.211 522 L C 1.722 178.520 176.870 -0.121 0.000 1.099 522 L CA 1.450 56.237 54.840 -0.089 0.000 0.816 522 L CB -0.371 41.649 42.059 -0.066 0.000 0.952 522 L HN 0.516 nan 8.230 nan 0.000 0.455 523 G N 0.938 109.634 108.800 -0.173 0.000 2.370 523 G HA2 -0.259 3.701 3.960 0.000 0.000 0.295 523 G HA3 -0.259 3.701 3.960 0.000 0.000 0.295 523 G C 0.124 174.929 174.900 -0.159 0.000 1.045 523 G CA 0.482 45.474 45.100 -0.181 0.000 1.199 523 G HN 0.342 nan 8.290 nan 0.000 0.513 524 T N 2.628 117.064 114.554 -0.197 0.000 2.739 524 T HA 0.483 4.833 4.350 0.000 0.000 0.298 524 T C 1.236 175.875 174.700 -0.102 0.000 0.929 524 T CA -0.164 61.856 62.100 -0.133 0.000 1.014 524 T CB 0.608 69.404 68.868 -0.121 0.000 0.914 524 T HN 0.443 nan 8.240 nan 0.000 0.509 525 M N 2.327 121.895 119.600 -0.053 0.000 2.249 525 M HA 0.326 4.806 4.480 0.000 0.000 0.340 525 M C 1.526 177.817 176.300 -0.016 0.000 1.166 525 M CA 0.930 56.223 55.300 -0.011 0.000 1.115 525 M CB 0.297 32.897 32.600 -0.001 0.000 1.606 525 M HN 0.980 nan 8.290 nan 0.000 0.448 526 G N 1.287 110.088 108.800 0.003 0.000 2.176 526 G HA2 -0.315 3.646 3.960 0.000 0.000 0.232 526 G HA3 -0.315 3.646 3.960 0.000 0.000 0.232 526 G C 0.373 175.233 174.900 -0.067 0.000 0.986 526 G CA 0.359 45.441 45.100 -0.030 0.000 0.643 526 G HN 0.814 nan 8.290 nan 0.000 0.522 527 Y N 1.662 121.802 120.300 -0.266 0.000 2.242 527 Y HA 0.164 4.714 4.550 0.000 0.000 0.291 527 Y C 2.619 178.405 175.900 -0.189 0.000 1.137 527 Y CA 2.522 60.377 58.100 -0.407 0.000 1.181 527 Y CB -0.603 37.619 38.460 -0.396 0.000 0.989 527 Y HN 0.269 nan 8.280 nan 0.000 0.527 528 G N 1.027 109.813 108.800 -0.023 0.000 2.719 528 G HA2 -0.389 3.571 3.960 0.000 0.000 0.219 528 G HA3 -0.389 3.571 3.960 0.000 0.000 0.219 528 G C 1.612 176.464 174.900 -0.080 0.000 1.234 528 G CA 1.576 46.656 45.100 -0.034 0.000 0.788 528 G HN 0.462 nan 8.290 nan 0.000 0.619 529 L N 2.625 123.844 121.223 -0.007 0.000 1.976 529 L HA 0.021 4.361 4.340 0.000 0.000 0.209 529 L C 0.454 177.298 176.870 -0.044 0.000 1.071 529 L CA 2.565 57.419 54.840 0.024 0.000 0.746 529 L CB -1.160 40.948 42.059 0.081 0.000 0.890 529 L HN 0.218 nan 8.230 nan 0.000 0.432 530 P HA -0.158 nan 4.420 nan 0.000 0.217 530 P C 1.390 178.584 177.300 -0.176 0.000 1.150 530 P CA 2.065 65.115 63.100 -0.082 0.000 0.832 530 P CB -0.167 31.518 31.700 -0.025 0.000 0.787 531 A N 0.706 123.304 122.820 -0.370 0.000 1.898 531 A HA -0.023 4.297 4.320 0.000 0.000 0.216 531 A C 2.540 179.992 177.584 -0.220 0.000 1.181 531 A CA 2.086 53.838 52.037 -0.474 0.000 0.620 531 A CB -1.540 16.849 19.000 -1.019 0.000 0.819 531 A HN 0.224 nan 8.150 nan 0.000 0.442 532 A N 0.174 122.905 122.820 -0.149 0.000 1.883 532 A HA -0.132 4.188 4.320 0.000 0.000 0.217 532 A C 2.118 179.706 177.584 0.007 0.000 1.186 532 A CA 1.612 53.622 52.037 -0.044 0.000 0.624 532 A CB -0.686 18.310 19.000 -0.006 0.000 0.822 532 A HN 0.503 nan 8.150 nan 0.000 0.444 533 I N -0.338 120.241 120.570 0.016 0.000 2.208 533 I HA -0.242 3.928 4.170 0.000 0.000 0.245 533 I C 2.664 178.853 176.117 0.120 0.000 1.097 533 I CA 1.226 62.569 61.300 0.072 0.000 1.363 533 I CB -0.649 37.400 38.000 0.082 0.000 1.051 533 I HN 0.423 nan 8.210 nan 0.000 0.413 534 G N 0.321 109.161 108.800 0.067 0.000 2.402 534 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 534 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 534 G C 1.868 176.888 174.900 0.200 0.000 1.162 534 G CA 0.752 45.930 45.100 0.130 0.000 0.777 534 G HN 0.488 nan 8.290 nan 0.000 0.539 535 A N 0.302 123.173 122.820 0.085 0.000 1.902 535 A HA -0.078 4.242 4.320 0.000 0.000 0.217 535 A C 2.300 179.951 177.584 0.110 0.000 1.181 535 A CA 2.200 54.284 52.037 0.077 0.000 0.623 535 A CB -0.458 18.563 19.000 0.036 0.000 0.818 535 A HN 0.404 nan 8.150 nan 0.000 0.443 536 Q N -0.124 119.742 119.800 0.110 0.000 2.124 536 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 536 Q C 1.790 177.871 176.000 0.136 0.000 0.977 536 Q CA 2.024 57.892 55.803 0.109 0.000 0.850 536 Q CB -0.510 28.283 28.738 0.092 0.000 0.901 536 Q HN 0.354 nan 8.270 nan 0.000 0.429 537 V N 0.315 120.347 119.914 0.196 0.000 2.427 537 V HA -0.205 3.915 4.120 0.000 0.000 0.248 537 V C 2.204 178.461 176.094 0.271 0.000 1.051 537 V CA 1.622 64.059 62.300 0.229 0.000 1.048 537 V CB -1.071 30.928 31.823 0.295 0.000 0.666 537 V HN 0.511 nan 8.190 nan 0.000 0.456 538 A N -0.886 122.115 122.820 0.303 0.000 1.930 538 A HA -0.085 4.235 4.320 0.000 0.000 0.217 538 A C 1.367 178.981 177.584 0.049 0.000 1.175 538 A CA 1.253 53.369 52.037 0.132 0.000 0.627 538 A CB -0.047 18.863 19.000 -0.149 0.000 0.815 538 A HN 0.402 nan 8.150 nan 0.000 0.443 539 K N -0.693 119.745 120.400 0.063 0.000 2.624 539 K HA 0.300 4.620 4.320 0.000 0.000 0.200 539 K C -2.552 174.087 176.600 0.065 0.000 1.036 539 K CA -1.827 54.484 56.287 0.040 0.000 1.029 539 K CB 1.193 33.718 32.500 0.041 0.000 1.317 539 K HN 0.062 nan 8.250 nan 0.000 0.555 540 P HA -0.172 nan 4.420 nan 0.000 0.217 540 P C 0.809 178.141 177.300 0.053 0.000 1.148 540 P CA 1.284 64.421 63.100 0.061 0.000 0.828 540 P CB 0.507 32.239 31.700 0.053 0.000 0.783 541 E N -0.859 119.368 120.200 0.046 0.000 2.371 541 E HA 0.066 4.416 4.350 0.000 0.000 0.194 541 E C 0.701 177.346 176.600 0.075 0.000 1.012 541 E CA 0.463 56.892 56.400 0.048 0.000 0.860 541 E CB -0.438 29.282 29.700 0.033 0.000 0.811 541 E HN 0.225 nan 8.360 nan 0.000 0.502 542 S N 1.176 116.939 115.700 0.105 0.000 2.593 542 S HA 0.186 4.656 4.470 0.000 0.000 0.269 542 S C 0.124 174.791 174.600 0.113 0.000 1.334 542 S CA -0.590 57.714 58.200 0.173 0.000 1.015 542 S CB 0.803 64.182 63.200 0.297 0.000 0.912 542 S HN 0.109 nan 8.310 nan 0.000 0.541 543 L N 3.804 125.088 121.223 0.101 0.000 2.261 543 L HA 0.449 4.789 4.340 0.000 0.000 0.289 543 L C -0.997 175.903 176.870 0.050 0.000 1.059 543 L CA -0.080 54.788 54.840 0.047 0.000 0.816 543 L CB 0.240 42.317 42.059 0.031 0.000 1.191 543 L HN 0.362 nan 8.230 nan 0.000 0.431 544 V N 7.171 127.106 119.914 0.035 0.000 2.370 544 V HA 0.442 4.562 4.120 0.000 0.000 0.279 544 V C 0.285 176.388 176.094 0.016 0.000 1.029 544 V CA -0.348 61.975 62.300 0.039 0.000 0.870 544 V CB 1.116 32.969 31.823 0.049 0.000 0.984 544 V HN 0.606 nan 8.190 nan 0.000 0.451 545 I N 3.849 124.434 120.570 0.025 0.000 2.433 545 I HA 0.410 4.580 4.170 0.000 0.000 0.292 545 I C -0.745 175.408 176.117 0.060 0.000 1.001 545 I CA -0.468 60.860 61.300 0.047 0.000 1.119 545 I CB 2.087 40.131 38.000 0.073 0.000 1.289 545 I HN 0.561 nan 8.210 nan 0.000 0.438 546 D N 7.773 128.229 120.400 0.093 0.000 2.427 546 D HA 0.368 5.008 4.640 0.000 0.000 0.226 546 D C -0.587 175.768 176.300 0.091 0.000 1.076 546 D CA -0.239 53.807 54.000 0.078 0.000 0.849 546 D CB 0.801 41.642 40.800 0.070 0.000 1.052 546 D HN 0.320 nan 8.370 nan 0.000 0.515 547 I N 3.793 124.430 120.570 0.111 0.000 2.291 547 I HA 0.222 4.392 4.170 0.000 0.000 0.292 547 I C 0.375 176.570 176.117 0.129 0.000 1.064 547 I CA -0.339 61.040 61.300 0.132 0.000 1.269 547 I CB 0.642 38.764 38.000 0.203 0.000 1.418 547 I HN 0.313 nan 8.210 nan 0.000 0.485 548 D N 4.159 124.498 120.400 -0.102 0.000 2.414 548 D HA 0.594 5.234 4.640 0.000 0.000 0.241 548 D C -0.173 175.603 176.300 -0.873 0.000 1.008 548 D CA -0.239 53.524 54.000 -0.396 0.000 1.001 548 D CB 2.541 43.231 40.800 -0.182 0.000 1.277 548 D HN 0.519 nan 8.370 nan 0.000 0.538 549 G N -0.373 107.774 108.800 -1.089 0.000 2.441 549 G HA2 0.281 4.241 3.960 0.000 0.000 0.334 549 G HA3 0.281 4.241 3.960 0.000 0.000 0.334 549 G C 0.735 175.502 174.900 -0.222 0.000 1.161 549 G CA -0.459 44.271 45.100 -0.617 0.000 0.935 549 G HN 0.476 nan 8.290 nan 0.000 0.488 550 D N 0.756 121.100 120.400 -0.092 0.000 2.097 550 D HA -0.162 4.478 4.640 0.000 0.000 0.195 550 D C 2.334 178.741 176.300 0.178 0.000 0.989 550 D CA 1.322 55.350 54.000 0.047 0.000 0.827 550 D CB -0.594 40.327 40.800 0.202 0.000 0.966 550 D HN 0.381 nan 8.370 nan 0.000 0.456 551 A N 0.955 123.850 122.820 0.124 0.000 1.877 551 A HA -0.138 4.182 4.320 0.000 0.000 0.216 551 A C 2.538 180.179 177.584 0.094 0.000 1.186 551 A CA 2.091 54.196 52.037 0.113 0.000 0.620 551 A CB -0.776 18.268 19.000 0.074 0.000 0.822 551 A HN 0.265 nan 8.150 nan 0.000 0.443 552 S N -1.195 114.553 115.700 0.080 0.000 2.370 552 S HA -0.143 4.327 4.470 0.000 0.000 0.226 552 S C 1.661 176.308 174.600 0.077 0.000 1.033 552 S CA 1.501 59.745 58.200 0.072 0.000 1.011 552 S CB -0.507 62.754 63.200 0.101 0.000 0.852 552 S HN 0.600 nan 8.310 nan 0.000 0.457 553 F N 2.793 122.705 119.950 -0.064 0.000 2.126 553 F HA -0.132 4.395 4.527 0.000 0.000 0.299 553 F C 1.750 177.562 175.800 0.020 0.000 1.096 553 F CA 1.379 59.342 58.000 -0.061 0.000 1.255 553 F CB -0.790 38.109 39.000 -0.167 0.000 0.997 553 F HN 0.169 nan 8.300 nan 0.000 0.479 554 N N -0.490 118.258 118.700 0.081 0.000 2.272 554 N HA -0.213 4.527 4.740 0.000 0.000 0.185 554 N C 1.901 177.360 175.510 -0.085 0.000 1.014 554 N CA 1.447 54.508 53.050 0.018 0.000 0.870 554 N CB -0.129 38.432 38.487 0.124 0.000 0.975 554 N HN 0.266 nan 8.380 nan 0.000 0.433 555 M N -0.351 119.203 119.600 -0.076 0.000 2.117 555 M HA -0.086 4.394 4.480 0.000 0.000 0.262 555 M C 1.215 177.430 176.300 -0.142 0.000 1.065 555 M CA 1.421 56.669 55.300 -0.087 0.000 1.114 555 M CB -0.758 31.808 32.600 -0.056 0.000 1.361 555 M HN 0.283 nan 8.290 nan 0.000 0.408 556 T N -2.441 111.995 114.554 -0.196 0.000 3.393 556 T HA 0.340 4.690 4.350 0.000 0.000 0.298 556 T C 0.958 175.481 174.700 -0.295 0.000 1.004 556 T CA -0.418 61.560 62.100 -0.203 0.000 0.956 556 T CB -0.560 68.231 68.868 -0.128 0.000 1.182 556 T HN 0.200 nan 8.240 nan 0.000 0.497 557 L N -0.785 120.157 121.223 -0.467 0.000 2.349 557 L HA 0.167 4.507 4.340 0.000 0.000 0.220 557 L C 2.170 178.891 176.870 -0.248 0.000 1.130 557 L CA 1.510 55.964 54.840 -0.644 0.000 0.791 557 L CB -1.956 39.622 42.059 -0.803 0.000 0.918 557 L HN 0.282 nan 8.230 nan 0.000 0.444 558 T N -0.676 113.793 114.554 -0.141 0.000 3.007 558 T HA -0.099 4.251 4.350 0.000 0.000 0.270 558 T C 1.553 176.250 174.700 -0.004 0.000 1.107 558 T CA 1.012 63.087 62.100 -0.041 0.000 1.118 558 T CB -0.371 68.489 68.868 -0.013 0.000 0.889 558 T HN 0.468 nan 8.240 nan 0.000 0.506 559 E N 0.922 121.106 120.200 -0.026 0.000 2.511 559 E HA 0.100 4.450 4.350 0.000 0.000 0.196 559 E C 1.983 178.613 176.600 0.051 0.000 1.066 559 E CA 0.044 56.458 56.400 0.024 0.000 0.871 559 E CB -0.220 29.488 29.700 0.013 0.000 0.863 559 E HN 0.546 nan 8.360 nan 0.000 0.520 560 L N 0.970 122.224 121.223 0.052 0.000 2.046 560 L HA -0.208 4.132 4.340 0.000 0.000 0.208 560 L C 2.489 179.417 176.870 0.098 0.000 1.077 560 L CA 1.671 56.574 54.840 0.106 0.000 0.747 560 L CB -0.542 41.604 42.059 0.145 0.000 0.896 560 L HN 0.167 nan 8.230 nan 0.000 0.432 561 S N -1.768 113.984 115.700 0.086 0.000 2.423 561 S HA -0.135 4.335 4.470 0.000 0.000 0.231 561 S C 2.012 176.666 174.600 0.090 0.000 1.014 561 S CA 1.259 59.510 58.200 0.085 0.000 0.965 561 S CB -0.267 62.981 63.200 0.079 0.000 0.785 561 S HN 0.307 nan 8.310 nan 0.000 0.495 562 S N 2.140 117.898 115.700 0.095 0.000 2.387 562 S HA 0.186 4.656 4.470 0.000 0.000 0.226 562 S C 2.316 176.978 174.600 0.102 0.000 1.026 562 S CA 0.848 59.113 58.200 0.108 0.000 0.972 562 S CB -0.696 62.573 63.200 0.116 0.000 0.814 562 S HN 0.781 nan 8.310 nan 0.000 0.477 563 A N 1.205 124.083 122.820 0.097 0.000 1.902 563 A HA -0.043 4.277 4.320 0.000 0.000 0.217 563 A C 2.301 179.936 177.584 0.086 0.000 1.181 563 A CA 1.453 53.546 52.037 0.094 0.000 0.623 563 A CB -0.840 18.218 19.000 0.096 0.000 0.818 563 A HN 0.347 nan 8.150 nan 0.000 0.443 564 V N -0.038 119.926 119.914 0.084 0.000 2.358 564 V HA -0.290 3.830 4.120 0.000 0.000 0.246 564 V C 2.699 178.836 176.094 0.071 0.000 1.047 564 V CA 2.258 64.602 62.300 0.074 0.000 1.035 564 V CB -0.790 31.076 31.823 0.073 0.000 0.658 564 V HN 0.801 nan 8.190 nan 0.000 0.452 565 Q N 0.083 119.929 119.800 0.078 0.000 2.172 565 Q HA -0.094 4.246 4.340 0.000 0.000 0.200 565 Q C 2.038 178.084 176.000 0.077 0.000 0.964 565 Q CA 1.535 57.384 55.803 0.077 0.000 0.855 565 Q CB -0.201 28.589 28.738 0.087 0.000 0.918 565 Q HN 0.620 nan 8.270 nan 0.000 0.444 566 A N -0.183 122.687 122.820 0.083 0.000 2.169 566 A HA 0.250 4.570 4.320 0.000 0.000 0.212 566 A C 1.478 179.102 177.584 0.068 0.000 1.153 566 A CA 0.789 52.873 52.037 0.078 0.000 0.756 566 A CB -0.463 18.592 19.000 0.092 0.000 0.813 566 A HN 0.629 nan 8.150 nan 0.000 0.471 567 G N 0.002 108.842 108.800 0.065 0.000 2.198 567 G HA2 -0.211 3.749 3.960 0.000 0.000 0.257 567 G HA3 -0.211 3.749 3.960 0.000 0.000 0.257 567 G C 0.284 175.221 174.900 0.060 0.000 1.042 567 G CA 0.605 45.740 45.100 0.057 0.000 0.791 567 G HN 1.444 nan 8.290 nan 0.000 0.502 568 T N -0.776 113.819 114.554 0.069 0.000 2.781 568 T HA 0.631 4.981 4.350 0.000 0.000 0.305 568 T C -1.543 173.194 174.700 0.062 0.000 1.001 568 T CA -1.649 60.494 62.100 0.071 0.000 0.950 568 T CB 2.367 71.287 68.868 0.087 0.000 0.955 568 T HN 0.133 nan 8.240 nan 0.000 0.471 569 P HA 0.125 nan 4.420 nan 0.000 0.238 569 P C 0.677 177.991 177.300 0.023 0.000 1.714 569 P CA -0.341 62.780 63.100 0.035 0.000 0.908 569 P CB -0.658 31.057 31.700 0.024 0.000 1.893 570 V N -1.557 118.382 119.914 0.041 0.000 2.872 570 V HA 0.249 4.369 4.120 0.000 0.000 0.307 570 V C 0.336 176.444 176.094 0.023 0.000 1.072 570 V CA -0.210 62.112 62.300 0.036 0.000 1.148 570 V CB 0.015 31.876 31.823 0.062 0.000 0.954 570 V HN -0.088 nan 8.190 nan 0.000 0.490 571 K N 4.906 125.297 120.400 -0.015 0.000 2.316 571 K HA 0.587 4.907 4.320 0.000 0.000 0.267 571 K C -0.720 176.019 176.600 0.232 0.000 1.025 571 K CA -0.478 55.775 56.287 -0.058 0.000 0.896 571 K CB 0.933 33.112 32.500 -0.535 0.000 1.124 571 K HN 0.647 nan 8.250 nan 0.000 0.451 572 I N 4.694 125.464 120.570 0.334 0.000 2.304 572 I HA 0.244 4.414 4.170 0.000 0.000 0.291 572 I C -0.450 175.718 176.117 0.086 0.000 1.018 572 I CA -1.002 60.407 61.300 0.181 0.000 1.260 572 I CB 0.519 38.542 38.000 0.038 0.000 1.390 572 I HN 0.396 nan 8.210 nan 0.000 0.475 573 L N 8.633 129.872 121.223 0.027 0.000 2.296 573 L HA 0.583 4.923 4.340 0.000 0.000 0.286 573 L C -0.579 176.115 176.870 -0.292 0.000 1.023 573 L CA -0.002 54.712 54.840 -0.210 0.000 0.812 573 L CB 1.015 43.041 42.059 -0.054 0.000 1.223 573 L HN 0.375 nan 8.230 nan 0.000 0.421 574 I N 6.562 126.881 120.570 -0.418 0.000 2.382 574 I HA 0.262 4.432 4.170 0.000 0.000 0.285 574 I C -0.622 175.306 176.117 -0.316 0.000 1.007 574 I CA -0.484 60.529 61.300 -0.478 0.000 1.142 574 I CB 1.396 38.909 38.000 -0.812 0.000 1.289 574 I HN 0.461 nan 8.210 nan 0.000 0.453 575 L N 6.146 127.241 121.223 -0.214 0.000 2.356 575 L HA 0.220 4.560 4.340 0.000 0.000 0.282 575 L C 0.241 177.071 176.870 -0.067 0.000 1.132 575 L CA -0.230 54.555 54.840 -0.092 0.000 0.923 575 L CB -0.227 41.850 42.059 0.030 0.000 1.278 575 L HN 0.540 nan 8.230 nan 0.000 0.436 576 N N 2.885 121.547 118.700 -0.063 0.000 2.415 576 N HA 0.032 4.772 4.740 0.000 0.000 0.246 576 N C 0.437 175.987 175.510 0.067 0.000 1.078 576 N CA -0.234 52.827 53.050 0.019 0.000 0.942 576 N CB 0.606 39.139 38.487 0.077 0.000 1.140 576 N HN 0.468 nan 8.380 nan 0.000 0.501 577 N N 2.090 120.848 118.700 0.097 0.000 2.187 577 N HA 0.048 4.788 4.740 0.000 0.000 0.212 577 N C -0.787 174.801 175.510 0.131 0.000 1.152 577 N CA -0.209 52.907 53.050 0.112 0.000 0.872 577 N CB -0.273 38.296 38.487 0.137 0.000 1.025 577 N HN 0.533 nan 8.380 nan 0.000 0.514 578 E N 0.435 120.723 120.200 0.147 0.000 2.228 578 E HA -0.277 4.073 4.350 0.000 0.000 0.213 578 E C -0.879 175.845 176.600 0.206 0.000 1.282 578 E CA 1.071 57.574 56.400 0.172 0.000 0.707 578 E CB -1.583 28.207 29.700 0.150 0.000 1.150 578 E HN 0.878 nan 8.360 nan 0.000 0.362 579 E N -1.562 118.728 120.200 0.149 0.000 2.411 579 E HA 0.215 4.565 4.350 0.000 0.000 0.279 579 E C -1.064 175.540 176.600 0.006 0.000 1.132 579 E CA -0.936 55.503 56.400 0.066 0.000 0.876 579 E CB 0.641 30.369 29.700 0.047 0.000 1.335 579 E HN 0.052 nan 8.360 nan 0.000 0.436 580 Q N 0.976 120.725 119.800 -0.086 0.000 3.006 580 Q HA 0.223 4.563 4.340 0.000 0.000 0.260 580 Q C 1.113 177.095 176.000 -0.031 0.000 1.356 580 Q CA 0.297 56.077 55.803 -0.038 0.000 1.070 580 Q CB 0.674 29.378 28.738 -0.057 0.000 1.507 580 Q HN 0.771 nan 8.270 nan 0.000 0.568 581 G N 1.747 110.554 108.800 0.012 0.000 2.679 581 G HA2 -0.378 3.582 3.960 0.000 0.000 0.222 581 G HA3 -0.378 3.582 3.960 0.000 0.000 0.222 581 G C 1.264 176.178 174.900 0.024 0.000 1.164 581 G CA 1.230 46.346 45.100 0.026 0.000 0.769 581 G HN 0.480 nan 8.290 nan 0.000 0.610 582 M N 0.235 119.832 119.600 -0.005 0.000 2.213 582 M HA 0.037 4.517 4.480 0.000 0.000 0.263 582 M C 2.458 178.842 176.300 0.141 0.000 1.062 582 M CA 1.092 56.415 55.300 0.038 0.000 1.105 582 M CB -0.181 32.392 32.600 -0.046 0.000 1.385 582 M HN 0.073 nan 8.290 nan 0.000 0.417 583 V N -0.574 119.378 119.914 0.064 0.000 2.488 583 V HA -0.181 3.939 4.120 0.000 0.000 0.246 583 V C 2.374 178.586 176.094 0.196 0.000 1.046 583 V CA 1.971 64.325 62.300 0.090 0.000 1.053 583 V CB -1.591 30.233 31.823 0.002 0.000 0.679 583 V HN 0.684 nan 8.190 nan 0.000 0.458 584 T N -1.717 112.917 114.554 0.133 0.000 2.915 584 T HA -0.275 4.075 4.350 0.000 0.000 0.269 584 T C 1.795 176.674 174.700 0.298 0.000 1.071 584 T CA 1.696 63.921 62.100 0.209 0.000 1.132 584 T CB -0.253 68.573 68.868 -0.070 0.000 0.878 584 T HN 0.522 nan 8.240 nan 0.000 0.479 585 Q N -0.615 119.334 119.800 0.249 0.000 2.046 585 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 585 Q C 1.905 178.045 176.000 0.232 0.000 0.975 585 Q CA 1.443 57.379 55.803 0.222 0.000 0.836 585 Q CB -0.257 28.608 28.738 0.212 0.000 0.896 585 Q HN 0.691 nan 8.270 nan 0.000 0.428 586 W N 1.117 122.524 121.300 0.178 0.000 2.388 586 W HA -0.098 4.562 4.660 0.000 0.000 0.294 586 W C 2.268 179.003 176.519 0.360 0.000 1.212 586 W CA 1.088 58.627 57.345 0.322 0.000 1.271 586 W CB -0.171 29.502 29.460 0.354 0.000 1.126 586 W HN 0.319 nan 8.180 nan 0.000 0.535 587 Q N -0.722 119.363 119.800 0.476 0.000 2.119 587 Q HA -0.140 4.200 4.340 0.000 0.000 0.201 587 Q C 2.259 178.302 176.000 0.072 0.000 0.972 587 Q CA 1.809 57.825 55.803 0.354 0.000 0.847 587 Q CB -0.446 28.425 28.738 0.222 0.000 0.903 587 Q HN 0.117 nan 8.270 nan 0.000 0.433 588 S N 0.851 116.559 115.700 0.013 0.000 2.368 588 S HA -0.128 4.342 4.470 0.000 0.000 0.224 588 S C 1.772 176.066 174.600 -0.510 0.000 1.029 588 S CA 0.905 58.877 58.200 -0.381 0.000 0.988 588 S CB -0.169 62.987 63.200 -0.073 0.000 0.838 588 S HN 0.229 nan 8.310 nan 0.000 0.462 589 L N 0.294 121.302 121.223 -0.358 0.000 2.068 589 L HA 0.211 4.551 4.340 0.000 0.000 0.204 589 L C 1.429 177.866 176.870 -0.722 0.000 1.076 589 L CA 1.836 56.305 54.840 -0.618 0.000 0.753 589 L CB -0.464 41.035 42.059 -0.933 0.000 0.910 589 L HN 0.280 nan 8.230 nan 0.000 0.439 590 F N -2.942 116.880 119.950 -0.214 0.000 2.717 590 F HA 0.147 4.674 4.527 0.000 0.000 0.295 590 F C 0.524 175.969 175.800 -0.592 0.000 1.117 590 F CA -0.057 57.705 58.000 -0.398 0.000 1.361 590 F CB 0.097 38.807 39.000 -0.483 0.000 1.112 590 F HN -0.073 nan 8.300 nan 0.000 0.594 591 Y N 0.044 120.385 120.300 0.069 0.000 2.736 591 Y HA 0.316 4.866 4.550 0.000 0.000 0.293 591 Y C -0.136 175.723 175.900 -0.068 0.000 1.062 591 Y CA -1.357 56.755 58.100 0.019 0.000 1.247 591 Y CB -0.644 37.840 38.460 0.040 0.000 1.200 591 Y HN -0.074 nan 8.280 nan 0.000 0.552 592 E N -0.057 120.130 120.200 -0.022 0.000 2.199 592 E HA -0.300 4.050 4.350 0.000 0.000 0.208 592 E C -0.468 176.175 176.600 0.072 0.000 1.310 592 E CA 1.170 57.592 56.400 0.036 0.000 0.709 592 E CB -2.040 27.711 29.700 0.084 0.000 1.127 592 E HN 0.713 nan 8.360 nan 0.000 0.354 593 H N -2.680 116.287 119.070 -0.171 0.000 2.776 593 H HA -0.237 4.319 4.556 0.000 0.000 0.300 593 H C -0.099 174.762 175.328 -0.779 0.000 1.161 593 H CA 1.332 57.075 56.048 -0.509 0.000 1.147 593 H CB -1.355 28.280 29.762 -0.211 0.000 1.366 593 H HN 0.333 nan 8.280 nan 0.000 0.397 594 R N 0.977 121.238 120.500 -0.398 0.000 2.408 594 R HA 0.206 4.546 4.340 0.000 0.000 0.308 594 R C -0.639 175.491 176.300 -0.284 0.000 1.210 594 R CA -0.340 55.610 56.100 -0.249 0.000 1.115 594 R CB 0.261 30.527 30.300 -0.056 0.000 1.127 594 R HN 0.340 nan 8.270 nan 0.000 0.523 595 Y N 0.959 121.315 120.300 0.094 0.000 2.594 595 Y HA 0.039 4.589 4.550 0.000 0.000 0.344 595 Y C 0.890 176.785 175.900 -0.009 0.000 1.185 595 Y CA -0.348 57.783 58.100 0.053 0.000 1.565 595 Y CB 0.688 39.230 38.460 0.136 0.000 1.415 595 Y HN 0.362 nan 8.280 nan 0.000 0.488 596 S N 4.578 120.282 115.700 0.006 0.000 2.411 596 S HA 0.117 4.587 4.470 0.000 0.000 0.304 596 S C 0.060 174.584 174.600 -0.127 0.000 1.098 596 S CA -0.427 57.667 58.200 -0.177 0.000 1.068 596 S CB -0.442 62.669 63.200 -0.149 0.000 1.032 596 S HN 0.788 nan 8.310 nan 0.000 0.511 597 H N 1.805 120.929 119.070 0.091 0.000 2.791 597 H HA -0.123 4.433 4.556 0.000 0.000 0.302 597 H C 0.904 176.237 175.328 0.008 0.000 1.198 597 H CA 1.280 57.364 56.048 0.061 0.000 1.145 597 H CB -2.471 27.309 29.762 0.031 0.000 1.385 597 H HN 0.711 nan 8.280 nan 0.000 0.409 598 T N -2.803 111.753 114.554 0.003 0.000 3.176 598 T HA 0.125 4.475 4.350 0.000 0.000 0.263 598 T C 0.380 174.835 174.700 -0.408 0.000 1.021 598 T CA -0.197 61.797 62.100 -0.176 0.000 0.905 598 T CB 0.419 69.154 68.868 -0.221 0.000 1.057 598 T HN 0.407 nan 8.240 nan 0.000 0.558 599 H N 2.688 121.805 119.070 0.078 0.000 2.866 599 H HA 0.386 4.942 4.556 0.000 0.000 0.287 599 H C -0.637 174.745 175.328 0.090 0.000 1.106 599 H CA -0.798 55.295 56.048 0.074 0.000 1.396 599 H CB 1.087 30.906 29.762 0.096 0.000 1.469 599 H HN 0.399 nan 8.280 nan 0.000 0.500 600 Q N 1.119 121.012 119.800 0.154 0.000 2.230 600 Q HA 0.322 4.662 4.340 0.000 0.000 0.248 600 Q C -0.199 175.868 176.000 0.112 0.000 0.915 600 Q CA -1.049 54.826 55.803 0.120 0.000 0.900 600 Q CB 1.410 30.202 28.738 0.089 0.000 1.229 600 Q HN 0.400 nan 8.270 nan 0.000 0.439 601 L N 2.013 123.283 121.223 0.079 0.000 2.361 601 L HA 0.272 4.612 4.340 0.000 0.000 0.278 601 L C -0.912 175.965 176.870 0.011 0.000 1.113 601 L CA 0.519 55.386 54.840 0.045 0.000 0.849 601 L CB -0.067 42.009 42.059 0.029 0.000 1.155 601 L HN 0.684 nan 8.230 nan 0.000 0.452 602 N N 6.158 124.843 118.700 -0.025 0.000 2.509 602 N HA 0.477 5.217 4.740 0.000 0.000 0.287 602 N C -2.253 173.092 175.510 -0.275 0.000 1.121 602 N CA -1.226 51.737 53.050 -0.144 0.000 0.977 602 N CB 0.640 39.014 38.487 -0.188 0.000 1.167 602 N HN 0.584 nan 8.380 nan 0.000 0.476 603 P HA 0.070 nan 4.420 nan 0.000 0.282 603 P C -1.144 175.857 177.300 -0.499 0.000 1.287 603 P CA -0.312 62.600 63.100 -0.313 0.000 0.792 603 P CB 0.622 32.209 31.700 -0.188 0.000 1.163 604 D N 0.030 120.271 120.400 -0.266 0.000 2.352 604 D HA 0.062 4.702 4.640 0.000 0.000 0.245 604 D C 0.863 177.087 176.300 -0.127 0.000 1.224 604 D CA -0.242 53.640 54.000 -0.197 0.000 0.879 604 D CB -0.093 40.663 40.800 -0.072 0.000 1.057 604 D HN 0.166 nan 8.370 nan 0.000 0.491 605 F N 2.606 122.578 119.950 0.037 0.000 2.161 605 F HA -0.203 4.324 4.527 0.000 0.000 0.300 605 F C 2.075 177.889 175.800 0.023 0.000 1.089 605 F CA 0.201 58.222 58.000 0.036 0.000 1.282 605 F CB -0.021 38.955 39.000 -0.039 0.000 1.010 605 F HN 0.390 nan 8.300 nan 0.000 0.485 606 I N 0.469 121.144 120.570 0.175 0.000 2.233 606 I HA -0.231 3.939 4.170 0.000 0.000 0.243 606 I C 2.099 178.270 176.117 0.090 0.000 1.093 606 I CA 1.478 62.842 61.300 0.106 0.000 1.380 606 I CB -0.720 37.320 38.000 0.066 0.000 1.067 606 I HN -0.034 nan 8.210 nan 0.000 0.413 607 K N -0.195 120.246 120.400 0.069 0.000 2.147 607 K HA -0.167 4.153 4.320 0.000 0.000 0.205 607 K C 2.049 178.694 176.600 0.075 0.000 1.049 607 K CA 1.145 57.465 56.287 0.055 0.000 0.936 607 K CB -0.391 32.127 32.500 0.030 0.000 0.722 607 K HN 0.171 nan 8.250 nan 0.000 0.446 608 L N 1.149 122.434 121.223 0.104 0.000 2.027 608 L HA -0.106 4.234 4.340 0.000 0.000 0.206 608 L C 2.237 179.199 176.870 0.154 0.000 1.074 608 L CA 1.837 56.759 54.840 0.137 0.000 0.745 608 L CB -0.735 41.452 42.059 0.213 0.000 0.898 608 L HN 0.097 nan 8.230 nan 0.000 0.433 609 A N -0.621 122.302 122.820 0.172 0.000 1.883 609 A HA -0.273 4.047 4.320 0.000 0.000 0.217 609 A C 2.201 179.852 177.584 0.112 0.000 1.186 609 A CA 2.079 54.207 52.037 0.153 0.000 0.624 609 A CB -0.795 18.283 19.000 0.129 0.000 0.822 609 A HN 0.629 nan 8.150 nan 0.000 0.444 610 E N -0.507 119.748 120.200 0.092 0.000 2.077 610 E HA -0.085 4.265 4.350 0.000 0.000 0.193 610 E C 2.274 178.915 176.600 0.069 0.000 0.989 610 E CA 0.967 57.410 56.400 0.073 0.000 0.800 610 E CB -0.284 29.451 29.700 0.060 0.000 0.746 610 E HN 0.624 nan 8.360 nan 0.000 0.452 611 A N 0.748 123.611 122.820 0.071 0.000 1.972 611 A HA -0.149 4.171 4.320 0.000 0.000 0.219 611 A C 1.991 179.616 177.584 0.068 0.000 1.169 611 A CA 1.104 53.178 52.037 0.063 0.000 0.635 611 A CB -0.176 18.860 19.000 0.060 0.000 0.810 611 A HN 0.146 nan 8.150 nan 0.000 0.446 612 M N -1.567 118.083 119.600 0.084 0.000 2.618 612 M HA 0.125 4.605 4.480 0.000 0.000 0.240 612 M C 1.409 177.757 176.300 0.081 0.000 1.123 612 M CA 1.050 56.403 55.300 0.087 0.000 1.060 612 M CB -0.532 32.134 32.600 0.110 0.000 1.535 612 M HN 0.770 nan 8.290 nan 0.000 0.507 613 G N 1.861 110.706 108.800 0.075 0.000 2.134 613 G HA2 -0.187 3.773 3.960 0.000 0.000 0.209 613 G HA3 -0.187 3.773 3.960 0.000 0.000 0.209 613 G C -0.067 174.875 174.900 0.071 0.000 0.993 613 G CA 0.310 45.450 45.100 0.068 0.000 0.669 613 G HN 0.497 nan 8.290 nan 0.000 0.519 614 L N -3.161 118.111 121.223 0.081 0.000 2.283 614 L HA 0.911 5.251 4.340 0.000 0.000 0.259 614 L C 0.198 177.117 176.870 0.081 0.000 1.027 614 L CA -1.571 53.318 54.840 0.082 0.000 0.828 614 L CB 1.322 43.439 42.059 0.097 0.000 1.380 614 L HN 0.040 nan 8.230 nan 0.000 0.425 615 K N -0.040 120.408 120.400 0.081 0.000 2.270 615 K HA 0.585 4.905 4.320 0.000 0.000 0.276 615 K C -0.276 176.375 176.600 0.086 0.000 1.023 615 K CA 0.014 56.348 56.287 0.078 0.000 0.955 615 K CB 1.011 33.557 32.500 0.077 0.000 0.975 615 K HN 0.924 nan 8.250 nan 0.000 0.471 616 G N 3.805 112.647 108.800 0.071 0.000 2.566 616 G HA2 0.594 4.554 3.960 0.000 0.000 0.311 616 G HA3 0.594 4.554 3.960 0.000 0.000 0.311 616 G C -1.362 173.561 174.900 0.039 0.000 1.322 616 G CA -0.734 44.400 45.100 0.058 0.000 0.969 616 G HN 0.522 nan 8.290 nan 0.000 0.490 617 L N 1.058 122.287 121.223 0.009 0.000 2.370 617 L HA 0.746 5.086 4.340 0.000 0.000 0.266 617 L C 0.001 176.840 176.870 -0.051 0.000 1.002 617 L CA -1.067 53.765 54.840 -0.012 0.000 0.818 617 L CB 2.861 44.915 42.059 -0.010 0.000 1.325 617 L HN 0.551 nan 8.230 nan 0.000 0.418 618 R N 1.156 121.634 120.500 -0.036 0.000 2.673 618 R HA 0.839 5.179 4.340 0.000 0.000 0.281 618 R C -2.045 174.230 176.300 -0.043 0.000 0.991 618 R CA -0.535 55.541 56.100 -0.041 0.000 0.896 618 R CB 2.445 32.743 30.300 -0.004 0.000 1.201 618 R HN 0.427 nan 8.270 nan 0.000 0.457 619 V N 4.010 123.891 119.914 -0.055 0.000 2.638 619 V HA 0.389 4.509 4.120 0.000 0.000 0.306 619 V C -0.035 176.038 176.094 -0.035 0.000 1.052 619 V CA -0.753 61.519 62.300 -0.047 0.000 0.885 619 V CB 1.875 33.659 31.823 -0.066 0.000 0.999 619 V HN 0.919 nan 8.190 nan 0.000 0.424 620 K N 1.521 121.907 120.400 -0.023 0.000 2.443 620 K HA 0.317 4.637 4.320 0.000 0.000 0.200 620 K C 0.147 176.737 176.600 -0.017 0.000 1.278 620 K CA -0.152 56.126 56.287 -0.016 0.000 0.925 620 K CB 0.704 33.200 32.500 -0.006 0.000 1.225 620 K HN 0.452 nan 8.250 nan 0.000 0.514 621 K N 1.733 122.123 120.400 -0.016 0.000 2.143 621 K HA 0.169 4.489 4.320 0.000 0.000 0.272 621 K C 0.691 177.279 176.600 -0.020 0.000 1.001 621 K CA -0.143 56.135 56.287 -0.015 0.000 0.915 621 K CB 1.313 33.806 32.500 -0.011 0.000 1.047 621 K HN 0.042 nan 8.250 nan 0.000 0.458 622 Q N 1.297 121.086 119.800 -0.019 0.000 2.135 622 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 622 Q C 0.922 176.910 176.000 -0.021 0.000 0.981 622 Q CA 1.630 57.420 55.803 -0.023 0.000 0.856 622 Q CB 0.041 28.767 28.738 -0.020 0.000 0.902 622 Q HN 0.502 nan 8.270 nan 0.000 0.425 623 E N 0.968 121.158 120.200 -0.016 0.000 2.204 623 E HA -0.165 4.186 4.350 0.000 0.000 0.195 623 E C 1.170 177.762 176.600 -0.013 0.000 0.990 623 E CA 1.045 57.437 56.400 -0.013 0.000 0.821 623 E CB 0.028 29.722 29.700 -0.010 0.000 0.750 623 E HN 0.400 nan 8.360 nan 0.000 0.477 624 E N -0.254 119.938 120.200 -0.014 0.000 2.474 624 E HA 0.023 4.373 4.350 0.000 0.000 0.194 624 E C 1.478 178.068 176.600 -0.017 0.000 1.041 624 E CA -0.210 56.182 56.400 -0.013 0.000 0.874 624 E CB 0.127 29.819 29.700 -0.012 0.000 0.914 624 E HN 0.080 nan 8.360 nan 0.000 0.498 625 L N 1.875 123.084 121.223 -0.024 0.000 1.990 625 L HA -0.254 4.087 4.340 0.000 0.000 0.213 625 L C 1.532 178.391 176.870 -0.018 0.000 1.072 625 L CA 2.010 56.832 54.840 -0.030 0.000 0.755 625 L CB -0.360 41.676 42.059 -0.038 0.000 0.889 625 L HN 0.044 nan 8.230 nan 0.000 0.432 626 D N -0.308 120.083 120.400 -0.015 0.000 2.104 626 D HA -0.189 4.451 4.640 0.000 0.000 0.194 626 D C 2.123 178.426 176.300 0.006 0.000 0.994 626 D CA 1.690 55.686 54.000 -0.007 0.000 0.830 626 D CB -0.219 40.573 40.800 -0.012 0.000 0.959 626 D HN 0.527 nan 8.370 nan 0.000 0.452 627 A N 0.693 123.516 122.820 0.005 0.000 1.930 627 A HA -0.178 4.143 4.320 0.000 0.000 0.217 627 A C 2.136 179.736 177.584 0.028 0.000 1.175 627 A CA 1.556 53.601 52.037 0.014 0.000 0.627 627 A CB -0.270 18.735 19.000 0.009 0.000 0.815 627 A HN 0.026 nan 8.150 nan 0.000 0.443 628 K N -0.139 120.272 120.400 0.019 0.000 2.057 628 K HA 0.076 4.396 4.320 0.000 0.000 0.206 628 K C 1.757 178.400 176.600 0.072 0.000 1.050 628 K CA 1.053 57.355 56.287 0.026 0.000 0.935 628 K CB -0.466 32.024 32.500 -0.017 0.000 0.715 628 K HN 0.492 nan 8.250 nan 0.000 0.439 629 L N 0.345 121.608 121.223 0.067 0.000 2.131 629 L HA -0.218 4.122 4.340 0.000 0.000 0.210 629 L C 2.060 179.038 176.870 0.182 0.000 1.092 629 L CA 1.384 56.313 54.840 0.149 0.000 0.759 629 L CB -0.295 41.819 42.059 0.092 0.000 0.903 629 L HN 0.156 nan 8.230 nan 0.000 0.435 630 K N -0.081 120.379 120.400 0.100 0.000 2.031 630 K HA -0.209 4.111 4.320 0.000 0.000 0.205 630 K C 2.037 178.686 176.600 0.082 0.000 1.049 630 K CA 1.361 57.690 56.287 0.071 0.000 0.939 630 K CB -0.115 32.407 32.500 0.038 0.000 0.717 630 K HN 0.265 nan 8.250 nan 0.000 0.438 631 E N 0.597 120.853 120.200 0.094 0.000 2.110 631 E HA -0.220 4.130 4.350 0.000 0.000 0.193 631 E C 1.841 178.529 176.600 0.146 0.000 0.988 631 E CA 0.832 57.288 56.400 0.094 0.000 0.804 631 E CB -0.092 29.657 29.700 0.083 0.000 0.745 631 E HN 0.200 nan 8.360 nan 0.000 0.458 632 F N 1.738 121.693 119.950 0.009 0.000 2.026 632 F HA -0.228 4.299 4.527 0.000 0.000 0.296 632 F C 2.224 178.037 175.800 0.021 0.000 1.133 632 F CA 2.058 60.065 58.000 0.012 0.000 1.188 632 F CB -0.953 38.051 39.000 0.008 0.000 0.968 632 F HN 0.036 nan 8.300 nan 0.000 0.476 633 V N -2.204 117.612 119.914 -0.164 0.000 2.970 633 V HA -0.080 4.040 4.120 0.000 0.000 0.260 633 V C 1.917 177.934 176.094 -0.129 0.000 1.100 633 V CA 1.902 64.040 62.300 -0.270 0.000 1.122 633 V CB -1.068 30.681 31.823 -0.123 0.000 0.721 633 V HN 0.337 nan 8.190 nan 0.000 0.483 634 S N -0.234 115.437 115.700 -0.048 0.000 2.496 634 S HA 0.067 4.537 4.470 0.000 0.000 0.224 634 S C 1.049 175.641 174.600 -0.015 0.000 0.996 634 S CA 0.585 58.774 58.200 -0.019 0.000 0.927 634 S CB -0.325 62.879 63.200 0.007 0.000 0.774 634 S HN 0.715 nan 8.310 nan 0.000 0.524 635 T N 3.032 117.576 114.554 -0.016 0.000 2.928 635 T HA 0.276 4.626 4.350 0.000 0.000 0.305 635 T C 1.537 176.231 174.700 -0.010 0.000 1.035 635 T CA 0.520 62.622 62.100 0.003 0.000 1.145 635 T CB 1.028 69.912 68.868 0.027 0.000 0.963 635 T HN 0.439 nan 8.240 nan 0.000 0.545 636 K N 3.340 123.744 120.400 0.006 0.000 1.965 636 K HA 0.134 4.454 4.320 0.000 0.000 0.214 636 K C 1.571 178.177 176.600 0.010 0.000 1.046 636 K CA 1.277 57.568 56.287 0.008 0.000 0.944 636 K CB -1.275 31.235 32.500 0.015 0.000 0.726 636 K HN 0.819 nan 8.250 nan 0.000 0.441 637 G N 0.705 109.517 108.800 0.021 0.000 2.494 637 G HA2 0.440 4.400 3.960 0.000 0.000 0.270 637 G HA3 0.440 4.400 3.960 0.000 0.000 0.270 637 G C -2.415 172.503 174.900 0.031 0.000 1.423 637 G CA -0.343 44.775 45.100 0.029 0.000 1.055 637 G HN 0.413 nan 8.290 nan 0.000 0.536 638 P HA 0.270 nan 4.420 nan 0.000 0.271 638 P C -0.730 176.618 177.300 0.081 0.000 1.216 638 P CA 0.153 63.289 63.100 0.061 0.000 0.771 638 P CB 1.654 33.399 31.700 0.075 0.000 0.864 639 V N 4.697 124.676 119.914 0.107 0.000 2.971 639 V HA 0.566 4.686 4.120 0.000 0.000 0.309 639 V C -1.553 174.692 176.094 0.253 0.000 1.130 639 V CA -1.193 61.207 62.300 0.167 0.000 0.964 639 V CB 2.325 34.261 31.823 0.188 0.000 1.029 639 V HN 0.478 nan 8.190 nan 0.000 0.427 640 L N 5.871 127.200 121.223 0.176 0.000 2.362 640 L HA 0.785 5.125 4.340 0.000 0.000 0.275 640 L C -1.606 175.225 176.870 -0.065 0.000 0.998 640 L CA -0.776 54.102 54.840 0.062 0.000 0.820 640 L CB 1.650 43.698 42.059 -0.018 0.000 1.270 640 L HN 0.788 nan 8.230 nan 0.000 0.415 641 L N 4.707 125.736 121.223 -0.323 0.000 2.376 641 L HA 0.498 4.838 4.340 0.000 0.000 0.275 641 L C -0.810 175.798 176.870 -0.437 0.000 0.987 641 L CA 0.007 54.555 54.840 -0.488 0.000 0.828 641 L CB 1.754 43.166 42.059 -1.078 0.000 1.249 641 L HN 0.695 nan 8.230 nan 0.000 0.409 642 E N 4.357 124.390 120.200 -0.279 0.000 2.156 642 E HA 0.508 4.858 4.350 0.000 0.000 0.279 642 E C -1.662 174.835 176.600 -0.172 0.000 0.965 642 E CA -0.667 55.592 56.400 -0.236 0.000 0.789 642 E CB 1.585 31.230 29.700 -0.093 0.000 1.098 642 E HN 0.560 nan 8.360 nan 0.000 0.397 643 V N 5.152 124.962 119.914 -0.173 0.000 2.350 643 V HA 0.170 4.290 4.120 0.000 0.000 0.285 643 V C -0.260 175.791 176.094 -0.071 0.000 1.014 643 V CA -0.731 61.497 62.300 -0.120 0.000 0.831 643 V CB 1.368 33.110 31.823 -0.135 0.000 1.000 643 V HN 0.725 nan 8.190 nan 0.000 0.433 644 E N 3.577 123.754 120.200 -0.038 0.000 2.265 644 E HA 0.323 4.673 4.350 0.000 0.000 0.272 644 E C -0.145 176.443 176.600 -0.019 0.000 1.067 644 E CA -0.094 56.301 56.400 -0.007 0.000 0.900 644 E CB 1.358 31.062 29.700 0.007 0.000 1.017 644 E HN 0.638 nan 8.360 nan 0.000 0.431 645 V N 0.040 119.948 119.914 -0.011 0.000 3.103 645 V HA 0.401 4.521 4.120 0.000 0.000 0.318 645 V C 0.218 176.311 176.094 -0.001 0.000 1.114 645 V CA -1.215 61.068 62.300 -0.029 0.000 1.020 645 V CB 1.893 33.683 31.823 -0.055 0.000 1.085 645 V HN 0.427 nan 8.190 nan 0.000 0.446 646 D N 1.217 121.606 120.400 -0.019 0.000 2.423 646 D HA 0.224 4.864 4.640 0.000 0.000 0.238 646 D C -0.084 176.249 176.300 0.056 0.000 1.142 646 D CA 0.255 54.265 54.000 0.017 0.000 0.884 646 D CB 0.895 41.698 40.800 0.005 0.000 1.199 646 D HN 0.624 nan 8.370 nan 0.000 0.438 647 K N 1.972 122.421 120.400 0.082 0.000 2.090 647 K HA 0.213 4.533 4.320 0.000 0.000 0.249 647 K C 0.434 177.099 176.600 0.108 0.000 0.995 647 K CA -0.800 55.549 56.287 0.103 0.000 0.914 647 K CB 0.855 33.420 32.500 0.108 0.000 1.057 647 K HN 0.204 nan 8.250 nan 0.000 0.462 648 K N -0.503 119.956 120.400 0.099 0.000 3.035 648 K HA -0.147 4.173 4.320 0.000 0.000 0.262 648 K C -0.885 175.809 176.600 0.158 0.000 1.024 648 K CA 0.386 56.732 56.287 0.098 0.000 0.748 648 K CB -2.187 30.355 32.500 0.070 0.000 1.247 648 K HN 0.365 nan 8.250 nan 0.000 0.482 649 V N 2.507 122.549 119.914 0.213 0.000 2.364 649 V HA 0.218 4.338 4.120 0.000 0.000 0.272 649 V C -1.336 174.991 176.094 0.389 0.000 1.036 649 V CA -1.350 61.109 62.300 0.264 0.000 0.880 649 V CB 1.345 33.279 31.823 0.185 0.000 0.991 649 V HN 0.088 nan 8.190 nan 0.000 0.460 650 P HA 0.234 nan 4.420 nan 0.000 0.278 650 P C -0.595 176.924 177.300 0.365 0.000 1.238 650 P CA -0.219 63.050 63.100 0.282 0.000 0.794 650 P CB 1.613 33.443 31.700 0.217 0.000 0.955 651 V N 4.607 124.606 119.914 0.143 0.000 2.408 651 V HA 0.224 4.344 4.120 0.000 0.000 0.267 651 V C 0.679 176.869 176.094 0.161 0.000 1.047 651 V CA 0.091 62.400 62.300 0.015 0.000 0.937 651 V CB 0.017 31.414 31.823 -0.710 0.000 0.999 651 V HN 0.395 nan 8.190 nan 0.000 0.472 652 L N 7.160 128.566 121.223 0.304 0.000 2.350 652 L HA 0.636 4.976 4.340 0.000 0.000 0.260 652 L C -2.253 174.826 176.870 0.349 0.000 1.015 652 L CA -1.944 53.103 54.840 0.345 0.000 0.821 652 L CB 2.845 45.135 42.059 0.385 0.000 1.370 652 L HN 0.389 nan 8.230 nan 0.000 0.416 653 P HA 0.198 nan 4.420 nan 0.000 0.277 653 P C -1.280 176.181 177.300 0.269 0.000 1.276 653 P CA -0.422 62.821 63.100 0.238 0.000 0.788 653 P CB 1.299 33.005 31.700 0.011 0.000 1.114 654 M N -0.026 119.693 119.600 0.200 0.000 2.322 654 M HA 0.343 4.823 4.480 0.000 0.000 0.286 654 M C -2.114 174.205 176.300 0.032 0.000 1.111 654 M CA -0.780 54.562 55.300 0.070 0.000 0.941 654 M CB 2.076 34.740 32.600 0.106 0.000 1.671 654 M HN -0.054 nan 8.290 nan 0.000 0.470 655 V N 3.980 123.861 119.914 -0.055 0.000 2.349 655 V HA 0.915 5.035 4.120 0.000 0.000 0.284 655 V C -0.443 175.633 176.094 -0.030 0.000 1.014 655 V CA -0.382 61.913 62.300 -0.007 0.000 0.826 655 V CB 0.875 32.708 31.823 0.017 0.000 1.009 655 V HN 0.916 nan 8.190 nan 0.000 0.431 656 A N 3.360 126.176 122.820 -0.006 0.000 2.527 656 A HA 1.023 5.343 4.320 0.000 0.000 0.293 656 A C 0.483 178.087 177.584 0.032 0.000 1.117 656 A CA 0.095 52.146 52.037 0.023 0.000 0.723 656 A CB 1.667 20.643 19.000 -0.040 0.000 1.313 656 A HN 2.000 nan 8.150 nan 0.000 0.411 657 G N 0.339 109.146 108.800 0.013 0.000 2.523 657 G HA2 0.136 4.096 3.960 0.000 0.000 0.271 657 G HA3 0.136 4.096 3.960 0.000 0.000 0.271 657 G C 1.027 175.927 174.900 0.000 0.000 1.146 657 G CA 0.647 45.738 45.100 -0.016 0.000 0.961 657 G HN 2.165 nan 8.290 nan 0.000 0.549 658 G N 0.274 109.075 108.800 0.001 0.000 3.337 658 G HA2 0.481 4.441 3.960 0.000 0.000 0.246 658 G HA3 0.481 4.441 3.960 0.000 0.000 0.246 658 G C 0.693 175.594 174.900 0.002 0.000 1.131 658 G CA 1.386 46.486 45.100 0.001 0.000 0.773 658 G HN 1.040 nan 8.290 nan 0.000 0.544 659 S N -0.104 115.598 115.700 0.003 0.000 2.585 659 S HA 0.508 4.978 4.470 0.000 0.000 0.273 659 S C 0.882 175.487 174.600 0.007 0.000 1.339 659 S CA -0.028 58.169 58.200 -0.005 0.000 1.028 659 S CB 1.414 64.608 63.200 -0.011 0.000 0.906 659 S HN 0.394 nan 8.310 nan 0.000 0.528 660 G N 0.205 109.006 108.800 0.001 0.000 2.502 660 G HA2 0.451 4.411 3.960 0.000 0.000 0.305 660 G HA3 0.451 4.411 3.960 0.000 0.000 0.305 660 G C 0.711 175.632 174.900 0.035 0.000 1.190 660 G CA -0.826 44.289 45.100 0.025 0.000 0.933 660 G HN 0.694 nan 8.290 nan 0.000 0.503 661 L N 0.134 121.396 121.223 0.065 0.000 2.261 661 L HA -0.065 4.275 4.340 0.000 0.000 0.216 661 L C 2.106 179.047 176.870 0.119 0.000 1.114 661 L CA 1.387 56.272 54.840 0.076 0.000 0.777 661 L CB -0.125 41.976 42.059 0.070 0.000 0.910 661 L HN 0.707 nan 8.230 nan 0.000 0.440 662 D N -0.855 119.569 120.400 0.040 0.000 2.350 662 D HA -0.099 4.541 4.640 0.000 0.000 0.213 662 D C 0.662 176.799 176.300 -0.272 0.000 1.031 662 D CA 0.213 54.198 54.000 -0.025 0.000 0.861 662 D CB 0.044 40.798 40.800 -0.078 0.000 0.926 662 D HN 0.383 nan 8.370 nan 0.000 0.520 663 E N 0.691 120.780 120.200 -0.186 0.000 2.434 663 E HA 0.170 4.520 4.350 0.000 0.000 0.243 663 E C -0.393 176.065 176.600 -0.237 0.000 1.250 663 E CA -0.609 55.629 56.400 -0.269 0.000 1.568 663 E CB -0.141 29.480 29.700 -0.132 0.000 1.435 663 E HN 0.310 nan 8.360 nan 0.000 0.432 664 F N -0.863 119.023 119.950 -0.107 0.000 2.378 664 F HA 0.437 4.964 4.527 0.000 0.000 0.319 664 F C 0.216 175.978 175.800 -0.063 0.000 1.155 664 F CA -1.305 56.640 58.000 -0.091 0.000 1.157 664 F CB 0.324 39.253 39.000 -0.118 0.000 1.252 664 F HN -0.184 nan 8.300 nan 0.000 0.550 665 I N 2.137 122.844 120.570 0.227 0.000 2.304 665 I HA 0.183 4.353 4.170 0.000 0.000 0.291 665 I C -0.042 176.260 176.117 0.309 0.000 1.018 665 I CA -0.197 61.198 61.300 0.160 0.000 1.260 665 I CB 0.562 38.608 38.000 0.077 0.000 1.390 665 I HN 0.727 nan 8.210 nan 0.000 0.475 666 N N 4.681 123.572 118.700 0.318 0.000 2.495 666 N HA 0.295 5.035 4.740 0.000 0.000 0.280 666 N C -0.617 175.071 175.510 0.297 0.000 1.168 666 N CA -0.690 52.585 53.050 0.375 0.000 0.978 666 N CB 1.232 39.987 38.487 0.447 0.000 1.191 666 N HN 0.338 nan 8.380 nan 0.000 0.497 667 F N 1.841 121.920 119.950 0.214 0.000 2.506 667 F HA 0.181 4.708 4.527 0.000 0.000 0.351 667 F C -0.159 175.726 175.800 0.141 0.000 1.136 667 F CA 0.160 58.268 58.000 0.180 0.000 1.298 667 F CB 0.569 39.691 39.000 0.203 0.000 1.145 667 F HN 0.350 nan 8.300 nan 0.000 0.593 668 D N 7.651 127.393 120.400 -1.098 0.000 2.764 668 D HA 0.184 4.824 4.640 0.000 0.000 0.227 668 D C -2.178 173.525 176.300 -0.995 0.000 1.347 668 D CA -1.507 52.006 54.000 -0.812 0.000 0.953 668 D CB 2.414 43.029 40.800 -0.309 0.000 1.476 668 D HN 0.235 nan 8.370 nan 0.000 0.585 669 P HA -0.177 nan 4.420 nan 0.000 0.215 669 P C 1.042 178.253 177.300 -0.149 0.000 1.153 669 P CA 1.050 63.965 63.100 -0.309 0.000 0.853 669 P CB 0.726 32.400 31.700 -0.042 0.000 0.788 670 E N 0.269 120.384 120.200 -0.141 0.000 2.106 670 E HA -0.095 4.255 4.350 0.000 0.000 0.192 670 E C 1.979 178.537 176.600 -0.069 0.000 0.984 670 E CA 0.852 57.208 56.400 -0.074 0.000 0.806 670 E CB -1.209 28.455 29.700 -0.060 0.000 0.750 670 E HN -0.026 nan 8.360 nan 0.000 0.458 671 V N 0.840 120.688 119.914 -0.110 0.000 2.427 671 V HA -0.195 3.925 4.120 0.000 0.000 0.248 671 V C 2.412 178.485 176.094 -0.035 0.000 1.051 671 V CA 2.055 64.311 62.300 -0.073 0.000 1.048 671 V CB -0.536 31.233 31.823 -0.090 0.000 0.666 671 V HN 0.371 nan 8.190 nan 0.000 0.456 672 E N 0.325 120.500 120.200 -0.041 0.000 2.110 672 E HA -0.225 4.125 4.350 0.000 0.000 0.193 672 E C 2.461 179.091 176.600 0.050 0.000 0.988 672 E CA 1.166 57.597 56.400 0.051 0.000 0.804 672 E CB -0.014 29.773 29.700 0.146 0.000 0.745 672 E HN 0.539 nan 8.360 nan 0.000 0.458 673 R N 0.026 120.545 120.500 0.031 0.000 2.092 673 R HA -0.127 4.213 4.340 0.000 0.000 0.231 673 R C 2.523 178.836 176.300 0.022 0.000 1.119 673 R CA 1.550 57.672 56.100 0.036 0.000 0.970 673 R CB -0.218 30.100 30.300 0.030 0.000 0.864 673 R HN 0.336 nan 8.270 nan 0.000 0.440 674 Q N 0.132 119.937 119.800 0.008 0.000 2.119 674 Q HA -0.130 4.210 4.340 0.000 0.000 0.201 674 Q C 2.147 178.146 176.000 -0.002 0.000 0.972 674 Q CA 0.891 56.695 55.803 0.002 0.000 0.847 674 Q CB 0.066 28.801 28.738 -0.005 0.000 0.903 674 Q HN 0.280 nan 8.270 nan 0.000 0.433 675 Q N -0.144 119.664 119.800 0.014 0.000 2.123 675 Q HA -0.081 4.260 4.340 0.000 0.000 0.199 675 Q C 2.082 178.070 176.000 -0.020 0.000 0.966 675 Q CA 1.367 57.191 55.803 0.035 0.000 0.845 675 Q CB -0.158 28.634 28.738 0.091 0.000 0.907 675 Q HN 0.380 nan 8.270 nan 0.000 0.439 676 T N 1.492 116.023 114.554 -0.037 0.000 2.708 676 T HA -0.123 4.227 4.350 0.000 0.000 0.266 676 T C 1.578 176.113 174.700 -0.275 0.000 1.037 676 T CA 1.099 63.100 62.100 -0.165 0.000 1.146 676 T CB 0.006 68.838 68.868 -0.060 0.000 0.865 676 T HN 0.205 nan 8.240 nan 0.000 0.435 677 E N 0.853 121.017 120.200 -0.060 0.000 2.077 677 E HA -0.045 4.305 4.350 0.000 0.000 0.193 677 E C 2.200 178.781 176.600 -0.031 0.000 0.989 677 E CA 0.612 57.032 56.400 0.032 0.000 0.800 677 E CB -0.540 29.189 29.700 0.048 0.000 0.746 677 E HN 0.295 nan 8.360 nan 0.000 0.452 678 L N 1.324 122.489 121.223 -0.098 0.000 2.046 678 L HA -0.126 4.214 4.340 0.000 0.000 0.208 678 L C 2.501 179.187 176.870 -0.307 0.000 1.077 678 L CA 1.726 56.463 54.840 -0.171 0.000 0.747 678 L CB -0.387 41.562 42.059 -0.183 0.000 0.896 678 L HN -0.032 nan 8.230 nan 0.000 0.432 679 R N -1.789 118.494 120.500 -0.361 0.000 2.073 679 R HA -0.195 4.145 4.340 0.000 0.000 0.234 679 R C 2.372 178.640 176.300 -0.053 0.000 1.134 679 R CA 1.564 57.494 56.100 -0.283 0.000 0.952 679 R CB -0.330 29.934 30.300 -0.060 0.000 0.850 679 R HN 0.499 nan 8.270 nan 0.000 0.433 680 H N 0.535 119.618 119.070 0.021 0.000 2.290 680 H HA -0.101 4.455 4.556 0.000 0.000 0.298 680 H C 2.032 177.366 175.328 0.011 0.000 1.087 680 H CA 1.784 57.852 56.048 0.034 0.000 1.291 680 H CB -0.217 29.559 29.762 0.023 0.000 1.369 680 H HN 0.143 nan 8.280 nan 0.000 0.492 681 K N 0.426 120.896 120.400 0.116 0.000 2.147 681 K HA -0.070 4.250 4.320 0.000 0.000 0.205 681 K C 2.384 179.001 176.600 0.028 0.000 1.049 681 K CA 0.924 57.242 56.287 0.052 0.000 0.936 681 K CB 0.074 32.587 32.500 0.021 0.000 0.722 681 K HN 0.160 nan 8.250 nan 0.000 0.446 682 R N -0.548 119.952 120.500 -0.001 0.000 2.200 682 R HA -0.002 4.338 4.340 0.000 0.000 0.208 682 R C 1.414 177.753 176.300 0.065 0.000 1.033 682 R CA 1.517 57.620 56.100 0.006 0.000 1.000 682 R CB 0.203 30.470 30.300 -0.056 0.000 0.906 682 R HN 0.284 nan 8.270 nan 0.000 0.462 683 T N -3.464 111.160 114.554 0.116 0.000 3.092 683 T HA 0.209 4.559 4.350 0.000 0.000 0.258 683 T C 1.078 175.841 174.700 0.104 0.000 1.031 683 T CA 0.241 62.440 62.100 0.165 0.000 0.925 683 T CB 0.984 70.038 68.868 0.310 0.000 1.036 683 T HN 0.268 nan 8.240 nan 0.000 0.544 684 G N 0.988 109.833 108.800 0.076 0.000 2.273 684 G HA2 0.102 4.062 3.960 0.000 0.000 0.280 684 G HA3 0.102 4.062 3.960 0.000 0.000 0.280 684 G C 1.127 176.044 174.900 0.027 0.000 1.047 684 G CA 0.325 45.451 45.100 0.043 0.000 0.869 684 G HN 1.775 nan 8.290 nan 0.000 0.502 685 G N -0.947 107.888 108.800 0.059 0.000 2.184 685 G HA2 -0.362 3.598 3.960 0.000 0.000 0.264 685 G HA3 -0.362 3.598 3.960 0.000 0.000 0.264 685 G C 1.169 176.060 174.900 -0.014 0.000 0.975 685 G CA 1.426 46.533 45.100 0.011 0.000 0.642 685 G HN 0.952 nan 8.290 nan 0.000 0.536 686 K N -0.609 119.770 120.400 -0.035 0.000 2.155 686 K HA -0.012 4.308 4.320 0.000 0.000 0.203 686 K C 0.844 177.169 176.600 -0.459 0.000 1.052 686 K CA 1.133 57.274 56.287 -0.244 0.000 0.948 686 K CB -0.037 32.311 32.500 -0.254 0.000 0.728 686 K HN 0.615 nan 8.250 nan 0.000 0.448 687 H N 0.000 119.162 119.070 0.153 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.133 56.048 0.141 0.000 1.023 687 H CB 0.000 29.805 29.762 0.071 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496