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 1t9a_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 0.000 176.290 176.300 -0.016 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 1.623 121.214 119.600 -0.015 0.000 2.241 85 M HA 0.399 4.879 4.480 0.000 0.000 0.335 85 M C -0.220 176.060 176.300 -0.033 0.000 1.122 85 M CA 0.195 55.486 55.300 -0.016 0.000 1.164 85 M CB 0.411 33.007 32.600 -0.007 0.000 1.459 85 M HN 0.042 nan 8.290 nan 0.000 0.461 86 D N 0.147 120.522 120.400 -0.042 0.000 2.619 86 D HA 0.540 5.180 4.640 0.000 0.000 0.241 86 D C -0.135 176.125 176.300 -0.066 0.000 1.087 86 D CA -0.194 53.757 54.000 -0.082 0.000 0.851 86 D CB 1.492 42.208 40.800 -0.140 0.000 1.474 86 D HN 0.698 nan 8.370 nan 0.000 0.478 87 T N -1.512 112.996 114.554 -0.076 0.000 3.144 87 T HA 0.075 4.425 4.350 0.000 0.000 0.290 87 T C 1.361 176.038 174.700 -0.039 0.000 0.966 87 T CA 0.308 62.388 62.100 -0.032 0.000 0.907 87 T CB -0.318 68.543 68.868 -0.011 0.000 1.152 87 T HN 0.235 nan 8.240 nan 0.000 0.532 88 S N 0.750 116.365 115.700 -0.143 0.000 2.469 88 S HA 0.059 4.529 4.470 0.000 0.000 0.238 88 S C 1.305 175.928 174.600 0.039 0.000 0.998 88 S CA 0.389 58.503 58.200 -0.144 0.000 0.957 88 S CB -1.003 62.004 63.200 -0.323 0.000 0.764 88 S HN 0.640 nan 8.310 nan 0.000 0.514 89 F N 0.945 120.899 119.950 0.008 0.000 2.731 89 F HA 0.314 4.841 4.527 0.000 0.000 0.298 89 F C 0.585 176.394 175.800 0.015 0.000 1.106 89 F CA -0.732 57.275 58.000 0.012 0.000 1.329 89 F CB 0.444 39.454 39.000 0.017 0.000 1.100 89 F HN -0.026 nan 8.300 nan 0.000 0.592 90 V N 1.329 121.355 119.914 0.186 0.000 2.644 90 V HA 0.089 4.209 4.120 0.000 0.000 0.305 90 V C 1.181 177.330 176.094 0.091 0.000 1.053 90 V CA 1.610 63.977 62.300 0.112 0.000 1.186 90 V CB 0.078 31.942 31.823 0.068 0.000 0.895 90 V HN 0.671 nan 8.190 nan 0.000 0.490 91 G N 3.678 112.519 108.800 0.069 0.000 2.195 91 G HA2 -0.198 3.762 3.960 0.000 0.000 0.246 91 G HA3 -0.198 3.762 3.960 0.000 0.000 0.246 91 G C -0.014 174.913 174.900 0.046 0.000 0.984 91 G CA 0.078 45.208 45.100 0.051 0.000 0.633 91 G HN 0.540 nan 8.290 nan 0.000 0.525 92 L N 1.619 122.875 121.223 0.056 0.000 2.375 92 L HA 0.635 4.975 4.340 0.000 0.000 0.268 92 L C 1.422 178.295 176.870 0.005 0.000 1.058 92 L CA -0.269 54.586 54.840 0.026 0.000 0.803 92 L CB 1.477 43.543 42.059 0.011 0.000 1.212 92 L HN 0.370 nan 8.230 nan 0.000 0.451 93 T N -1.956 112.593 114.554 -0.009 0.000 2.874 93 T HA 0.221 4.571 4.350 0.000 0.000 0.281 93 T C 1.257 175.941 174.700 -0.026 0.000 0.994 93 T CA -0.142 61.953 62.100 -0.009 0.000 1.015 93 T CB 1.528 70.391 68.868 -0.007 0.000 1.028 93 T HN 0.709 nan 8.240 nan 0.000 0.523 94 G N 0.368 109.160 108.800 -0.013 0.000 2.442 94 G HA2 -0.034 3.926 3.960 0.000 0.000 0.219 94 G HA3 -0.034 3.926 3.960 0.000 0.000 0.219 94 G C 1.537 176.434 174.900 -0.005 0.000 1.141 94 G CA 0.644 45.738 45.100 -0.010 0.000 0.763 94 G HN 1.032 nan 8.290 nan 0.000 0.554 95 G N 0.177 108.970 108.800 -0.013 0.000 2.418 95 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 95 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 95 G C 1.805 176.725 174.900 0.034 0.000 1.158 95 G CA 1.060 46.156 45.100 -0.008 0.000 0.771 95 G HN 0.521 nan 8.290 nan 0.000 0.545 96 Q N -0.267 119.527 119.800 -0.011 0.000 2.119 96 Q HA 0.054 4.394 4.340 0.000 0.000 0.201 96 Q C 2.595 178.526 176.000 -0.114 0.000 0.972 96 Q CA 0.786 56.570 55.803 -0.031 0.000 0.847 96 Q CB -0.166 28.551 28.738 -0.035 0.000 0.903 96 Q HN 0.508 nan 8.270 nan 0.000 0.433 97 I N 0.122 120.569 120.570 -0.205 0.000 2.286 97 I HA -0.267 3.903 4.170 0.000 0.000 0.248 97 I C 2.140 178.072 176.117 -0.308 0.000 1.115 97 I CA 1.030 62.037 61.300 -0.488 0.000 1.392 97 I CB -0.229 37.482 38.000 -0.482 0.000 1.065 97 I HN 0.179 nan 8.210 nan 0.000 0.418 98 F N 1.763 121.567 119.950 -0.243 0.000 2.126 98 F HA -0.281 4.246 4.527 0.000 0.000 0.299 98 F C 2.271 177.979 175.800 -0.153 0.000 1.096 98 F CA 2.065 59.937 58.000 -0.213 0.000 1.255 98 F CB -0.521 38.342 39.000 -0.227 0.000 0.997 98 F HN 0.080 nan 8.300 nan 0.000 0.479 99 N N -0.230 118.513 118.700 0.070 0.000 2.069 99 N HA -0.216 4.524 4.740 0.000 0.000 0.191 99 N C 1.771 177.264 175.510 -0.028 0.000 1.031 99 N CA 1.326 54.431 53.050 0.092 0.000 0.852 99 N CB -0.068 38.478 38.487 0.099 0.000 1.018 99 N HN 0.282 nan 8.380 nan 0.000 0.423 100 E N 0.599 120.742 120.200 -0.095 0.000 2.051 100 E HA -0.157 4.193 4.350 0.000 0.000 0.192 100 E C 2.049 178.608 176.600 -0.068 0.000 0.991 100 E CA 0.865 57.234 56.400 -0.051 0.000 0.799 100 E CB -0.253 29.424 29.700 -0.038 0.000 0.748 100 E HN 0.470 nan 8.360 nan 0.000 0.449 101 M N -0.086 119.401 119.600 -0.188 0.000 2.202 101 M HA -0.093 4.387 4.480 0.000 0.000 0.262 101 M C 2.087 178.205 176.300 -0.303 0.000 1.063 101 M CA 1.056 56.235 55.300 -0.201 0.000 1.097 101 M CB -0.770 31.683 32.600 -0.245 0.000 1.382 101 M HN 0.104 nan 8.290 nan 0.000 0.413 102 M N -1.022 118.351 119.600 -0.378 0.000 2.159 102 M HA -0.128 4.352 4.480 0.000 0.000 0.263 102 M C 2.409 178.615 176.300 -0.158 0.000 1.063 102 M CA 1.327 56.417 55.300 -0.349 0.000 1.110 102 M CB -1.596 30.784 32.600 -0.366 0.000 1.374 102 M HN 0.282 nan 8.290 nan 0.000 0.411 103 S N 0.288 115.956 115.700 -0.054 0.000 2.355 103 S HA -0.098 4.372 4.470 0.000 0.000 0.222 103 S C 2.027 176.595 174.600 -0.053 0.000 1.031 103 S CA 0.919 59.115 58.200 -0.007 0.000 0.993 103 S CB 0.020 63.232 63.200 0.020 0.000 0.859 103 S HN 0.380 nan 8.310 nan 0.000 0.453 104 R N 0.699 121.156 120.500 -0.071 0.000 2.091 104 R HA -0.020 4.320 4.340 0.000 0.000 0.238 104 R C 1.861 178.072 176.300 -0.148 0.000 1.136 104 R CA 1.014 57.068 56.100 -0.077 0.000 0.959 104 R CB -0.750 29.523 30.300 -0.045 0.000 0.856 104 R HN 0.480 nan 8.270 nan 0.000 0.437 105 Q N 0.887 120.522 119.800 -0.276 0.000 2.466 105 Q HA -0.018 4.322 4.340 0.000 0.000 0.210 105 Q C -0.173 175.688 176.000 -0.232 0.000 0.961 105 Q CA -0.018 55.536 55.803 -0.414 0.000 0.953 105 Q CB -0.538 27.575 28.738 -1.043 0.000 1.011 105 Q HN 0.286 nan 8.270 nan 0.000 0.516 106 N N -0.440 118.185 118.700 -0.124 0.000 2.738 106 N HA -0.164 4.576 4.740 0.000 0.000 0.249 106 N C -1.420 174.093 175.510 0.006 0.000 1.047 106 N CA 0.227 53.255 53.050 -0.036 0.000 0.707 106 N CB -1.055 37.423 38.487 -0.015 0.000 0.937 106 N HN -0.055 nan 8.380 nan 0.000 0.545 107 V N 1.223 121.128 119.914 -0.015 0.000 2.432 107 V HA 0.230 4.350 4.120 0.000 0.000 0.275 107 V C 1.092 177.234 176.094 0.081 0.000 1.043 107 V CA 0.311 62.626 62.300 0.024 0.000 0.925 107 V CB 1.536 33.311 31.823 -0.079 0.000 0.985 107 V HN 0.531 nan 8.190 nan 0.000 0.466 108 D N 1.549 122.015 120.400 0.111 0.000 2.433 108 D HA 0.141 4.781 4.640 0.000 0.000 0.211 108 D C 0.217 176.575 176.300 0.096 0.000 1.114 108 D CA 0.001 54.090 54.000 0.147 0.000 0.837 108 D CB 0.612 41.501 40.800 0.149 0.000 0.984 108 D HN 0.492 nan 8.370 nan 0.000 0.505 109 T N -0.325 114.185 114.554 -0.074 0.000 3.041 109 T HA 0.488 4.838 4.350 0.000 0.000 0.321 109 T C -1.337 173.079 174.700 -0.473 0.000 1.184 109 T CA -0.670 61.247 62.100 -0.306 0.000 1.050 109 T CB 2.348 70.887 68.868 -0.550 0.000 1.159 109 T HN -0.146 nan 8.240 nan 0.000 0.469 110 V N 3.385 122.979 119.914 -0.535 0.000 2.531 110 V HA 0.597 4.717 4.120 0.000 0.000 0.301 110 V C -1.241 174.341 176.094 -0.853 0.000 1.034 110 V CA -0.866 61.129 62.300 -0.508 0.000 0.865 110 V CB 1.357 32.954 31.823 -0.377 0.000 0.995 110 V HN 0.830 nan 8.190 nan 0.000 0.424 111 F N 2.963 122.660 119.950 -0.423 0.000 2.415 111 F HA 0.873 5.401 4.527 0.000 0.000 0.348 111 F C 0.837 176.460 175.800 -0.296 0.000 1.119 111 F CA -0.148 57.595 58.000 -0.428 0.000 1.069 111 F CB 1.970 40.843 39.000 -0.213 0.000 1.124 111 F HN 0.665 nan 8.300 nan 0.000 0.472 112 G N 1.679 110.383 108.800 -0.161 0.000 2.548 112 G HA2 0.478 4.438 3.960 0.000 0.000 0.301 112 G HA3 0.478 4.438 3.960 0.000 0.000 0.301 112 G C -2.661 172.584 174.900 0.575 0.000 1.349 112 G CA -0.689 44.601 45.100 0.316 0.000 0.792 112 G HN 0.401 nan 8.290 nan 0.000 0.481 113 Y N 1.392 121.935 120.300 0.404 0.000 2.362 113 Y HA 0.563 5.113 4.550 0.000 0.000 0.326 113 Y C -2.296 173.586 175.900 -0.031 0.000 1.083 113 Y CA -1.516 56.706 58.100 0.203 0.000 1.073 113 Y CB 3.012 41.523 38.460 0.085 0.000 1.211 113 Y HN 0.522 nan 8.280 nan 0.000 0.433 114 P HA 0.481 nan 4.420 nan 0.000 0.272 114 P C -0.496 176.587 177.300 -0.361 0.000 1.240 114 P CA 0.165 62.689 63.100 -0.961 0.000 0.791 114 P CB 1.694 32.707 31.700 -1.146 0.000 0.978 115 G N -1.313 107.295 108.800 -0.321 0.000 2.559 115 G HA2 0.438 4.398 3.960 0.000 0.000 0.291 115 G HA3 0.438 4.398 3.960 0.000 0.000 0.291 115 G C 0.614 175.453 174.900 -0.101 0.000 1.424 115 G CA -0.097 44.927 45.100 -0.126 0.000 0.786 115 G HN 0.491 nan 8.290 nan 0.000 0.485 116 G N 0.337 109.113 108.800 -0.039 0.000 2.545 116 G HA2 0.108 4.068 3.960 0.000 0.000 0.217 116 G HA3 0.108 4.068 3.960 0.000 0.000 0.217 116 G C 2.136 177.034 174.900 -0.004 0.000 1.218 116 G CA 2.409 47.509 45.100 -0.000 0.000 0.787 116 G HN 1.636 nan 8.290 nan 0.000 0.571 117 A N 0.062 122.877 122.820 -0.009 0.000 1.986 117 A HA -0.038 4.282 4.320 0.000 0.000 0.220 117 A C 2.198 179.783 177.584 0.002 0.000 1.171 117 A CA 1.698 53.732 52.037 -0.005 0.000 0.640 117 A CB -0.282 18.704 19.000 -0.023 0.000 0.811 117 A HN 0.486 nan 8.150 nan 0.000 0.451 118 I N -0.491 120.085 120.570 0.009 0.000 3.861 118 I HA 0.163 4.333 4.170 0.000 0.000 0.329 118 I C 1.477 177.653 176.117 0.098 0.000 1.321 118 I CA -0.059 61.273 61.300 0.054 0.000 1.126 118 I CB -0.370 37.704 38.000 0.122 0.000 1.018 118 I HN 0.272 nan 8.210 nan 0.000 0.407 119 L N 1.287 122.528 121.223 0.030 0.000 2.042 119 L HA -0.132 4.208 4.340 0.000 0.000 0.210 119 L C -0.268 176.626 176.870 0.041 0.000 1.076 119 L CA 1.508 56.365 54.840 0.028 0.000 0.749 119 L CB -1.886 40.164 42.059 -0.016 0.000 0.893 119 L HN 0.241 nan 8.230 nan 0.000 0.432 120 P HA -0.149 nan 4.420 nan 0.000 0.217 120 P C 1.768 179.054 177.300 -0.023 0.000 1.148 120 P CA 1.167 64.262 63.100 -0.007 0.000 0.828 120 P CB 0.099 31.791 31.700 -0.013 0.000 0.783 121 V N -2.429 117.456 119.914 -0.048 0.000 2.446 121 V HA -0.174 3.946 4.120 0.000 0.000 0.244 121 V C 1.994 178.002 176.094 -0.144 0.000 1.039 121 V CA 1.383 63.586 62.300 -0.162 0.000 1.045 121 V CB -1.322 30.256 31.823 -0.408 0.000 0.681 121 V HN 0.016 nan 8.190 nan 0.000 0.459 122 Y N 0.784 121.013 120.300 -0.119 0.000 2.333 122 Y HA -0.207 4.343 4.550 0.000 0.000 0.290 122 Y C 2.337 178.188 175.900 -0.081 0.000 1.144 122 Y CA 1.882 59.916 58.100 -0.109 0.000 1.228 122 Y CB -0.255 38.123 38.460 -0.138 0.000 0.985 122 Y HN 0.370 nan 8.280 nan 0.000 0.542 123 D N -0.707 119.720 120.400 0.044 0.000 2.194 123 D HA -0.088 4.552 4.640 0.000 0.000 0.204 123 D C 2.153 178.467 176.300 0.024 0.000 0.964 123 D CA 1.065 55.065 54.000 -0.000 0.000 0.846 123 D CB -0.077 40.708 40.800 -0.024 0.000 0.962 123 D HN 0.202 nan 8.370 nan 0.000 0.490 124 A N 0.417 123.241 122.820 0.008 0.000 2.014 124 A HA 0.022 4.342 4.320 0.000 0.000 0.218 124 A C 2.115 179.713 177.584 0.023 0.000 1.163 124 A CA 1.025 53.071 52.037 0.016 0.000 0.652 124 A CB -0.768 18.241 19.000 0.014 0.000 0.808 124 A HN 0.525 nan 8.150 nan 0.000 0.449 125 I N -3.669 116.908 120.570 0.012 0.000 3.904 125 I HA 0.251 4.421 4.170 0.000 0.000 0.333 125 I C 0.590 176.673 176.117 -0.058 0.000 1.361 125 I CA -0.631 60.664 61.300 -0.008 0.000 1.116 125 I CB -0.526 37.535 38.000 0.102 0.000 1.028 125 I HN 0.184 nan 8.210 nan 0.000 0.398 126 H N 3.449 122.453 119.070 -0.111 0.000 3.046 126 H HA 0.093 4.650 4.556 0.000 0.000 0.303 126 H C 0.591 175.847 175.328 -0.119 0.000 1.002 126 H CA 0.583 56.566 56.048 -0.110 0.000 1.460 126 H CB 0.195 29.914 29.762 -0.071 0.000 1.493 126 H HN 0.346 nan 8.280 nan 0.000 0.559 127 N N 2.399 120.811 118.700 -0.481 0.000 2.721 127 N HA -0.260 4.480 4.740 0.000 0.000 0.249 127 N C -0.591 174.745 175.510 -0.291 0.000 1.072 127 N CA 1.110 53.909 53.050 -0.417 0.000 0.710 127 N CB -1.235 36.946 38.487 -0.509 0.000 0.993 127 N HN 0.546 nan 8.380 nan 0.000 0.547 128 S N 0.561 116.076 115.700 -0.308 0.000 2.564 128 S HA 0.100 4.570 4.470 0.000 0.000 0.278 128 S C 1.192 175.560 174.600 -0.385 0.000 1.333 128 S CA -0.185 57.795 58.200 -0.367 0.000 1.048 128 S CB 0.681 63.543 63.200 -0.564 0.000 0.900 128 S HN 0.320 nan 8.310 nan 0.000 0.505 129 D N 3.431 123.654 120.400 -0.295 0.000 2.369 129 D HA 0.054 4.694 4.640 0.000 0.000 0.211 129 D C 0.869 177.037 176.300 -0.220 0.000 1.077 129 D CA -0.125 53.745 54.000 -0.217 0.000 0.842 129 D CB 0.116 40.835 40.800 -0.134 0.000 0.947 129 D HN 0.382 nan 8.370 nan 0.000 0.509 130 K N 0.419 120.625 120.400 -0.323 0.000 2.211 130 K HA 0.059 4.379 4.320 0.000 0.000 0.203 130 K C 0.632 177.205 176.600 -0.046 0.000 1.050 130 K CA 0.650 56.832 56.287 -0.174 0.000 0.945 130 K CB -0.085 32.360 32.500 -0.092 0.000 0.732 130 K HN 0.397 nan 8.250 nan 0.000 0.451 131 F N -2.175 117.763 119.950 -0.021 0.000 2.858 131 F HA 0.421 4.948 4.527 0.000 0.000 0.319 131 F C -0.987 174.805 175.800 -0.012 0.000 1.166 131 F CA -1.652 56.336 58.000 -0.020 0.000 0.899 131 F CB 0.358 39.341 39.000 -0.028 0.000 1.332 131 F HN -0.343 nan 8.300 nan 0.000 0.461 132 N N 0.464 119.313 118.700 0.248 0.000 2.492 132 N HA 0.468 5.208 4.740 0.000 0.000 0.289 132 N C -1.891 173.755 175.510 0.227 0.000 1.133 132 N CA -0.195 52.941 53.050 0.143 0.000 0.961 132 N CB 1.936 40.447 38.487 0.040 0.000 1.186 132 N HN 0.642 nan 8.380 nan 0.000 0.493 133 F N 0.910 120.871 119.950 0.019 0.000 2.482 133 F HA 0.424 4.951 4.527 0.000 0.000 0.331 133 F C -0.687 175.056 175.800 -0.094 0.000 1.115 133 F CA -0.708 57.285 58.000 -0.013 0.000 0.955 133 F CB 1.177 40.219 39.000 0.071 0.000 1.136 133 F HN 0.040 nan 8.300 nan 0.000 0.452 134 V N 7.049 126.573 119.914 -0.649 0.000 2.409 134 V HA 0.390 4.510 4.120 0.000 0.000 0.291 134 V C -0.936 175.032 176.094 -0.209 0.000 1.020 134 V CA -0.757 61.343 62.300 -0.334 0.000 0.848 134 V CB 1.498 33.049 31.823 -0.454 0.000 0.990 134 V HN 0.604 nan 8.190 nan 0.000 0.430 135 L N 9.707 131.013 121.223 0.138 0.000 2.287 135 L HA 0.751 5.091 4.340 0.000 0.000 0.287 135 L C -2.200 174.820 176.870 0.248 0.000 1.022 135 L CA -1.167 53.840 54.840 0.278 0.000 0.814 135 L CB 1.798 44.060 42.059 0.338 0.000 1.217 135 L HN 0.450 nan 8.230 nan 0.000 0.420 136 P HA 0.351 nan 4.420 nan 0.000 0.304 136 P C -0.687 176.803 177.300 0.316 0.000 1.310 136 P CA -0.454 62.800 63.100 0.257 0.000 0.796 136 P CB 1.356 33.188 31.700 0.220 0.000 1.297 137 K N -1.664 118.864 120.400 0.212 0.000 2.352 137 K HA 0.112 4.432 4.320 0.000 0.000 0.194 137 K C 0.541 177.160 176.600 0.033 0.000 1.038 137 K CA 0.726 57.123 56.287 0.184 0.000 1.023 137 K CB -0.103 32.474 32.500 0.127 0.000 0.840 137 K HN 0.572 nan 8.250 nan 0.000 0.519 138 H N -0.067 118.942 119.070 -0.102 0.000 2.974 138 H HA 0.170 4.727 4.556 0.000 0.000 0.366 138 H C -0.117 175.119 175.328 -0.153 0.000 1.155 138 H CA -0.111 55.811 56.048 -0.211 0.000 1.186 138 H CB 1.881 31.569 29.762 -0.124 0.000 1.799 138 H HN -0.216 nan 8.280 nan 0.000 0.541 139 E N 1.910 122.056 120.200 -0.090 0.000 2.204 139 E HA -0.173 4.177 4.350 0.000 0.000 0.195 139 E C 1.835 178.502 176.600 0.112 0.000 0.990 139 E CA 1.135 57.551 56.400 0.027 0.000 0.821 139 E CB 0.225 29.882 29.700 -0.071 0.000 0.750 139 E HN 0.580 nan 8.360 nan 0.000 0.477 140 Q N -0.075 119.909 119.800 0.306 0.000 2.124 140 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 140 Q C 2.135 178.068 176.000 -0.112 0.000 0.977 140 Q CA 1.561 57.336 55.803 -0.047 0.000 0.850 140 Q CB -0.283 28.337 28.738 -0.196 0.000 0.901 140 Q HN 0.395 nan 8.270 nan 0.000 0.429 141 G N 0.374 109.187 108.800 0.022 0.000 2.421 141 G HA2 -0.271 3.689 3.960 0.000 0.000 0.216 141 G HA3 -0.271 3.689 3.960 0.000 0.000 0.216 141 G C 1.454 176.363 174.900 0.015 0.000 1.171 141 G CA 0.972 46.097 45.100 0.042 0.000 0.775 141 G HN 0.497 nan 8.290 nan 0.000 0.543 142 A N 0.971 123.817 122.820 0.044 0.000 1.883 142 A HA 0.094 4.414 4.320 0.000 0.000 0.217 142 A C 2.745 180.268 177.584 -0.101 0.000 1.186 142 A CA 2.294 54.358 52.037 0.045 0.000 0.624 142 A CB -1.243 17.833 19.000 0.126 0.000 0.822 142 A HN 0.584 nan 8.150 nan 0.000 0.444 143 G N -1.326 107.402 108.800 -0.121 0.000 2.446 143 G HA2 -0.284 3.676 3.960 0.000 0.000 0.217 143 G HA3 -0.284 3.676 3.960 0.000 0.000 0.217 143 G C 1.490 176.288 174.900 -0.171 0.000 1.168 143 G CA 1.214 46.206 45.100 -0.179 0.000 0.771 143 G HN 0.655 nan 8.290 nan 0.000 0.551 144 H N -0.201 118.822 119.070 -0.078 0.000 2.428 144 H HA 0.146 4.703 4.556 0.000 0.000 0.296 144 H C 2.664 177.835 175.328 -0.262 0.000 1.062 144 H CA 0.913 56.906 56.048 -0.092 0.000 1.350 144 H CB -0.236 29.480 29.762 -0.077 0.000 1.403 144 H HN 0.343 nan 8.280 nan 0.000 0.533 145 M N -0.205 119.257 119.600 -0.231 0.000 2.175 145 M HA -0.066 4.414 4.480 0.000 0.000 0.264 145 M C 2.563 178.327 176.300 -0.894 0.000 1.063 145 M CA 1.325 56.335 55.300 -0.482 0.000 1.119 145 M CB -0.021 32.305 32.600 -0.456 0.000 1.377 145 M HN 0.230 nan 8.290 nan 0.000 0.415 146 A N 0.052 122.315 122.820 -0.927 0.000 1.968 146 A HA -0.134 4.186 4.320 0.000 0.000 0.217 146 A C 1.878 179.350 177.584 -0.187 0.000 1.169 146 A CA 1.379 52.993 52.037 -0.705 0.000 0.638 146 A CB -0.514 18.271 19.000 -0.359 0.000 0.812 146 A HN 0.510 nan 8.150 nan 0.000 0.446 147 E N -0.527 119.611 120.200 -0.102 0.000 2.072 147 E HA -0.089 4.261 4.350 0.000 0.000 0.191 147 E C 2.178 178.796 176.600 0.030 0.000 0.985 147 E CA 0.728 57.154 56.400 0.044 0.000 0.801 147 E CB -0.349 29.478 29.700 0.213 0.000 0.750 147 E HN 0.589 nan 8.360 nan 0.000 0.452 148 G N 0.761 109.521 108.800 -0.067 0.000 2.418 148 G HA2 -0.317 3.643 3.960 0.000 0.000 0.217 148 G HA3 -0.317 3.643 3.960 0.000 0.000 0.217 148 G C 1.425 176.323 174.900 -0.004 0.000 1.158 148 G CA 0.931 45.981 45.100 -0.083 0.000 0.771 148 G HN 0.290 nan 8.290 nan 0.000 0.545 149 Y N 2.012 122.247 120.300 -0.108 0.000 2.128 149 Y HA -0.070 4.480 4.550 0.000 0.000 0.284 149 Y C 2.920 178.829 175.900 0.014 0.000 1.154 149 Y CA 1.797 59.898 58.100 0.003 0.000 1.149 149 Y CB -0.380 38.129 38.460 0.080 0.000 0.976 149 Y HN 0.252 nan 8.280 nan 0.000 0.505 150 A N 0.817 123.707 122.820 0.117 0.000 1.902 150 A HA -0.174 4.146 4.320 0.000 0.000 0.217 150 A C 2.277 179.820 177.584 -0.068 0.000 1.181 150 A CA 1.620 53.674 52.037 0.028 0.000 0.623 150 A CB -0.582 18.473 19.000 0.091 0.000 0.818 150 A HN 0.421 nan 8.150 nan 0.000 0.443 151 R N -0.498 119.984 120.500 -0.029 0.000 2.105 151 R HA -0.096 4.244 4.340 0.000 0.000 0.239 151 R C 2.175 178.447 176.300 -0.047 0.000 1.135 151 R CA 1.489 57.579 56.100 -0.017 0.000 0.967 151 R CB -0.798 29.509 30.300 0.012 0.000 0.861 151 R HN 0.552 nan 8.270 nan 0.000 0.442 152 A N -0.046 122.719 122.820 -0.091 0.000 2.044 152 A HA -0.024 4.296 4.320 0.000 0.000 0.213 152 A C 2.064 179.536 177.584 -0.185 0.000 1.169 152 A CA 1.035 53.023 52.037 -0.081 0.000 0.724 152 A CB 0.003 18.981 19.000 -0.036 0.000 0.840 152 A HN 0.387 nan 8.150 nan 0.000 0.463 153 S N -2.539 112.972 115.700 -0.316 0.000 2.483 153 S HA 0.395 4.865 4.470 0.000 0.000 0.221 153 S C 1.557 175.989 174.600 -0.280 0.000 1.030 153 S CA 1.249 59.240 58.200 -0.347 0.000 0.925 153 S CB 0.043 62.866 63.200 -0.628 0.000 0.795 153 S HN 1.782 nan 8.310 nan 0.000 0.511 154 G N 1.283 109.926 108.800 -0.261 0.000 2.175 154 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 154 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 154 G C -0.073 174.774 174.900 -0.089 0.000 0.982 154 G CA 0.271 45.253 45.100 -0.196 0.000 0.641 154 G HN 0.629 nan 8.290 nan 0.000 0.527 155 K N 1.498 121.856 120.400 -0.070 0.000 2.095 155 K HA 0.535 4.855 4.320 0.000 0.000 0.252 155 K C -2.407 174.291 176.600 0.164 0.000 0.977 155 K CA -1.884 54.447 56.287 0.074 0.000 0.900 155 K CB 1.777 34.369 32.500 0.154 0.000 1.060 155 K HN 0.068 nan 8.250 nan 0.000 0.449 156 P HA 0.009 nan 4.420 nan 0.000 0.271 156 P C -0.385 177.066 177.300 0.252 0.000 1.218 156 P CA -0.261 62.939 63.100 0.167 0.000 0.780 156 P CB 0.674 32.434 31.700 0.100 0.000 0.901 157 G N 1.787 110.695 108.800 0.180 0.000 2.339 157 G HA2 0.430 4.390 3.960 0.000 0.000 0.287 157 G HA3 0.430 4.390 3.960 0.000 0.000 0.287 157 G C -0.536 174.411 174.900 0.079 0.000 1.163 157 G CA -0.392 44.810 45.100 0.171 0.000 0.872 157 G HN 0.342 nan 8.290 nan 0.000 0.464 158 V N 3.209 123.194 119.914 0.119 0.000 2.370 158 V HA 0.379 4.499 4.120 0.000 0.000 0.279 158 V C -0.001 176.207 176.094 0.190 0.000 1.029 158 V CA -0.607 61.781 62.300 0.146 0.000 0.870 158 V CB 1.398 33.326 31.823 0.174 0.000 0.984 158 V HN 0.497 nan 8.190 nan 0.000 0.451 159 V N 6.144 126.175 119.914 0.194 0.000 2.555 159 V HA 0.550 4.670 4.120 0.000 0.000 0.302 159 V C -0.588 175.677 176.094 0.285 0.000 1.038 159 V CA -0.637 61.778 62.300 0.191 0.000 0.887 159 V CB 1.859 33.740 31.823 0.096 0.000 0.991 159 V HN 0.665 nan 8.190 nan 0.000 0.434 160 L N 7.154 128.539 121.223 0.270 0.000 2.427 160 L HA 0.774 5.114 4.340 0.000 0.000 0.264 160 L C -0.472 176.607 176.870 0.349 0.000 0.989 160 L CA -0.083 54.936 54.840 0.298 0.000 0.865 160 L CB 1.497 43.685 42.059 0.215 0.000 1.209 160 L HN 0.581 nan 8.230 nan 0.000 0.430 161 V N 0.715 120.784 119.914 0.258 0.000 3.155 161 V HA 0.739 4.859 4.120 0.000 0.000 0.313 161 V C 0.131 176.312 176.094 0.144 0.000 1.162 161 V CA -0.462 61.968 62.300 0.216 0.000 1.048 161 V CB 1.552 33.454 31.823 0.132 0.000 1.092 161 V HN 0.637 nan 8.190 nan 0.000 0.447 162 T N 0.706 115.309 114.554 0.082 0.000 2.814 162 T HA 0.489 4.839 4.350 0.000 0.000 0.284 162 T C 0.653 175.343 174.700 -0.016 0.000 0.998 162 T CA 0.399 62.512 62.100 0.021 0.000 0.935 162 T CB 1.025 69.881 68.868 -0.020 0.000 1.167 162 T HN 1.561 nan 8.240 nan 0.000 0.545 163 S N -0.161 115.509 115.700 -0.050 0.000 2.640 163 S HA 0.566 5.036 4.470 0.000 0.000 0.262 163 S C 1.361 175.892 174.600 -0.115 0.000 1.232 163 S CA -0.006 58.148 58.200 -0.076 0.000 0.988 163 S CB -0.244 62.903 63.200 -0.087 0.000 1.034 163 S HN 1.584 nan 8.310 nan 0.000 0.569 164 G N 1.534 110.260 108.800 -0.124 0.000 2.665 164 G HA2 -0.302 3.658 3.960 0.000 0.000 0.326 164 G HA3 -0.302 3.658 3.960 0.000 0.000 0.326 164 G C -0.960 173.867 174.900 -0.123 0.000 1.231 164 G CA 0.499 45.514 45.100 -0.142 0.000 0.992 164 G HN 0.753 nan 8.290 nan 0.000 0.549 165 P HA -0.058 nan 4.420 nan 0.000 0.218 165 P C 1.935 179.156 177.300 -0.133 0.000 1.148 165 P CA 2.668 65.689 63.100 -0.130 0.000 0.822 165 P CB -0.723 30.892 31.700 -0.143 0.000 0.784 166 G N 0.502 109.231 108.800 -0.119 0.000 2.418 166 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 166 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 166 G C 1.815 176.676 174.900 -0.065 0.000 1.158 166 G CA 1.037 46.081 45.100 -0.093 0.000 0.771 166 G HN 0.380 nan 8.290 nan 0.000 0.545 167 A N 0.824 123.606 122.820 -0.062 0.000 1.872 167 A HA 0.015 4.335 4.320 0.000 0.000 0.214 167 A C 2.654 180.200 177.584 -0.063 0.000 1.187 167 A CA 2.574 54.578 52.037 -0.054 0.000 0.614 167 A CB -1.086 17.879 19.000 -0.058 0.000 0.826 167 A HN 0.507 nan 8.150 nan 0.000 0.442 168 T N -2.000 112.511 114.554 -0.071 0.000 2.915 168 T HA -0.109 4.241 4.350 0.000 0.000 0.269 168 T C 1.416 176.085 174.700 -0.051 0.000 1.071 168 T CA 1.424 63.486 62.100 -0.064 0.000 1.132 168 T CB -0.510 68.319 68.868 -0.066 0.000 0.878 168 T HN 0.317 nan 8.240 nan 0.000 0.479 169 N N 0.901 119.569 118.700 -0.054 0.000 2.550 169 N HA 0.048 4.788 4.740 0.000 0.000 0.186 169 N C 1.207 176.717 175.510 -0.001 0.000 1.110 169 N CA 0.321 53.368 53.050 -0.006 0.000 0.912 169 N CB -0.048 38.392 38.487 -0.080 0.000 0.968 169 N HN 0.381 nan 8.380 nan 0.000 0.448 170 V N -0.375 119.515 119.914 -0.041 0.000 3.621 170 V HA 0.081 4.201 4.120 0.000 0.000 0.285 170 V C 1.930 177.978 176.094 -0.077 0.000 1.346 170 V CA 0.191 62.453 62.300 -0.063 0.000 1.104 170 V CB 0.362 32.155 31.823 -0.050 0.000 0.913 170 V HN -0.044 nan 8.190 nan 0.000 0.432 171 V N 0.593 120.467 119.914 -0.067 0.000 2.343 171 V HA -0.271 3.849 4.120 0.000 0.000 0.247 171 V C 2.598 178.652 176.094 -0.067 0.000 1.051 171 V CA 2.889 65.146 62.300 -0.071 0.000 1.036 171 V CB -0.821 30.961 31.823 -0.067 0.000 0.654 171 V HN 0.614 nan 8.190 nan 0.000 0.451 172 T N 0.136 114.654 114.554 -0.060 0.000 2.708 172 T HA -0.111 4.239 4.350 0.000 0.000 0.266 172 T C -0.034 174.646 174.700 -0.033 0.000 1.037 172 T CA 2.011 64.090 62.100 -0.035 0.000 1.146 172 T CB -1.137 67.727 68.868 -0.008 0.000 0.865 172 T HN 0.430 nan 8.240 nan 0.000 0.435 173 P HA 0.011 nan 4.420 nan 0.000 0.216 173 P C 1.595 178.879 177.300 -0.028 0.000 1.150 173 P CA 1.119 64.129 63.100 -0.150 0.000 0.837 173 P CB -0.112 31.389 31.700 -0.331 0.000 0.786 174 M N -1.309 118.265 119.600 -0.043 0.000 2.132 174 M HA -0.101 4.379 4.480 0.000 0.000 0.263 174 M C 2.163 178.482 176.300 0.031 0.000 1.065 174 M CA 1.901 57.194 55.300 -0.012 0.000 1.122 174 M CB -0.862 31.708 32.600 -0.050 0.000 1.365 174 M HN -0.102 nan 8.290 nan 0.000 0.411 175 A N 0.083 122.899 122.820 -0.005 0.000 1.933 175 A HA -0.224 4.096 4.320 0.000 0.000 0.218 175 A C 1.925 179.555 177.584 0.076 0.000 1.175 175 A CA 2.012 54.056 52.037 0.012 0.000 0.628 175 A CB -0.841 18.139 19.000 -0.032 0.000 0.814 175 A HN 0.552 nan 8.150 nan 0.000 0.444 176 D N 0.051 120.480 120.400 0.047 0.000 2.123 176 D HA -0.049 4.591 4.640 0.000 0.000 0.200 176 D C 2.077 178.387 176.300 0.017 0.000 0.976 176 D CA 1.341 55.351 54.000 0.016 0.000 0.831 176 D CB -0.097 40.725 40.800 0.037 0.000 0.974 176 D HN 0.319 nan 8.370 nan 0.000 0.469 177 A N -0.053 122.802 122.820 0.058 0.000 2.015 177 A HA -0.116 4.204 4.320 0.000 0.000 0.219 177 A C 2.042 179.665 177.584 0.066 0.000 1.163 177 A CA 0.663 52.729 52.037 0.049 0.000 0.646 177 A CB -0.958 18.075 19.000 0.055 0.000 0.806 177 A HN 0.368 nan 8.150 nan 0.000 0.448 178 F N 0.723 120.651 119.950 -0.037 0.000 2.146 178 F HA 0.022 4.549 4.527 0.000 0.000 0.298 178 F C 2.478 178.257 175.800 -0.035 0.000 1.096 178 F CA 1.044 59.025 58.000 -0.031 0.000 1.275 178 F CB -0.244 38.738 39.000 -0.031 0.000 1.008 178 F HN 0.243 nan 8.300 nan 0.000 0.480 179 A N -0.523 122.355 122.820 0.096 0.000 1.898 179 A HA -0.140 4.180 4.320 0.000 0.000 0.216 179 A C 1.638 179.171 177.584 -0.085 0.000 1.181 179 A CA 1.856 53.893 52.037 -0.001 0.000 0.620 179 A CB -0.707 18.303 19.000 0.016 0.000 0.819 179 A HN 0.373 nan 8.150 nan 0.000 0.442 180 D N -0.867 119.480 120.400 -0.088 0.000 2.328 180 D HA 0.278 4.918 4.640 0.000 0.000 0.221 180 D C 1.003 177.245 176.300 -0.096 0.000 1.072 180 D CA 0.893 54.832 54.000 -0.103 0.000 0.850 180 D CB -0.110 40.615 40.800 -0.125 0.000 0.922 180 D HN 0.536 nan 8.370 nan 0.000 0.516 181 G N 1.752 110.480 108.800 -0.121 0.000 2.351 181 G HA2 -0.284 3.676 3.960 0.000 0.000 0.297 181 G HA3 -0.284 3.676 3.960 0.000 0.000 0.297 181 G C 0.076 174.938 174.900 -0.064 0.000 1.054 181 G CA -0.127 44.902 45.100 -0.118 0.000 1.123 181 G HN 0.355 nan 8.290 nan 0.000 0.512 182 I N 1.738 122.283 120.570 -0.040 0.000 2.354 182 I HA 0.319 4.489 4.170 0.000 0.000 0.292 182 I C -1.711 174.404 176.117 -0.003 0.000 0.989 182 I CA -2.704 58.590 61.300 -0.011 0.000 1.188 182 I CB 2.134 40.140 38.000 0.010 0.000 1.342 182 I HN -0.010 nan 8.210 nan 0.000 0.457 183 P HA 0.121 nan 4.420 nan 0.000 0.270 183 P C -0.969 176.328 177.300 -0.005 0.000 1.242 183 P CA -0.050 63.048 63.100 -0.003 0.000 0.768 183 P CB 0.963 32.670 31.700 0.012 0.000 0.820 184 M N 3.902 123.476 119.600 -0.043 0.000 2.322 184 M HA 0.307 4.787 4.480 0.000 0.000 0.285 184 M C -1.997 174.210 176.300 -0.156 0.000 1.119 184 M CA -0.772 54.488 55.300 -0.067 0.000 0.953 184 M CB 2.325 34.907 32.600 -0.030 0.000 1.701 184 M HN -0.076 nan 8.290 nan 0.000 0.479 185 V N 5.167 124.936 119.914 -0.241 0.000 2.326 185 V HA 0.434 4.554 4.120 0.000 0.000 0.281 185 V C -0.633 175.259 176.094 -0.337 0.000 1.015 185 V CA -0.699 61.353 62.300 -0.413 0.000 0.823 185 V CB 1.417 32.783 31.823 -0.762 0.000 1.009 185 V HN 0.661 nan 8.190 nan 0.000 0.436 186 V N 5.898 125.618 119.914 -0.323 0.000 2.364 186 V HA 0.454 4.574 4.120 0.000 0.000 0.272 186 V C -0.404 175.511 176.094 -0.298 0.000 1.036 186 V CA -0.250 61.933 62.300 -0.195 0.000 0.880 186 V CB 0.997 32.751 31.823 -0.114 0.000 0.991 186 V HN 0.645 nan 8.190 nan 0.000 0.460 187 F N 3.224 123.207 119.950 0.054 0.000 2.411 187 F HA 0.541 5.068 4.527 0.000 0.000 0.352 187 F C 0.725 176.538 175.800 0.021 0.000 1.123 187 F CA -0.474 57.561 58.000 0.059 0.000 1.044 187 F CB 1.928 40.993 39.000 0.110 0.000 1.135 187 F HN 0.500 nan 8.300 nan 0.000 0.461 188 T N 0.387 115.027 114.554 0.143 0.000 2.792 188 T HA 0.680 5.030 4.350 0.000 0.000 0.280 188 T C 0.180 174.916 174.700 0.059 0.000 0.990 188 T CA -0.929 61.217 62.100 0.077 0.000 0.960 188 T CB 1.411 70.286 68.868 0.011 0.000 0.939 188 T HN 0.754 nan 8.240 nan 0.000 0.439 189 G N 1.484 110.313 108.800 0.048 0.000 2.544 189 G HA2 0.476 4.436 3.960 0.000 0.000 0.242 189 G HA3 0.476 4.436 3.960 0.000 0.000 0.242 189 G C -0.573 174.326 174.900 -0.002 0.000 1.247 189 G CA -0.254 44.859 45.100 0.022 0.000 0.840 189 G HN 0.877 nan 8.290 nan 0.000 0.578 190 Q N -0.335 119.461 119.800 -0.006 0.000 2.421 190 Q HA 0.486 4.826 4.340 0.000 0.000 0.280 190 Q C -0.081 175.911 176.000 -0.014 0.000 1.085 190 Q CA -0.771 55.021 55.803 -0.019 0.000 0.807 190 Q CB 2.001 30.730 28.738 -0.016 0.000 1.405 190 Q HN 0.979 nan 8.270 nan 0.000 0.419 191 V N 0.848 120.750 119.914 -0.020 0.000 3.139 191 V HA 0.500 4.620 4.120 0.000 0.000 0.307 191 V C -2.096 174.001 176.094 0.004 0.000 1.095 191 V CA -1.178 61.120 62.300 -0.003 0.000 1.160 191 V CB -0.337 31.486 31.823 0.001 0.000 1.003 191 V HN 0.861 nan 8.190 nan 0.000 0.489 192 P HA 0.037 nan 4.420 nan 0.000 0.266 192 P C 1.137 178.442 177.300 0.009 0.000 1.195 192 P CA 0.819 63.926 63.100 0.012 0.000 0.768 192 P CB 0.584 32.293 31.700 0.016 0.000 0.838 193 T N -0.816 113.743 114.554 0.008 0.000 2.822 193 T HA -0.199 4.151 4.350 0.000 0.000 0.270 193 T C 1.571 176.274 174.700 0.006 0.000 1.064 193 T CA 1.837 63.940 62.100 0.006 0.000 1.131 193 T CB -1.232 67.641 68.868 0.008 0.000 0.858 193 T HN 0.495 nan 8.240 nan 0.000 0.483 194 S N 0.666 116.371 115.700 0.008 0.000 2.607 194 S HA 0.513 4.983 4.470 0.000 0.000 0.224 194 S C 1.865 176.471 174.600 0.009 0.000 0.969 194 S CA 0.124 58.328 58.200 0.008 0.000 0.927 194 S CB -0.215 62.990 63.200 0.008 0.000 0.772 194 S HN 0.778 nan 8.310 nan 0.000 0.533 195 A N 0.738 123.564 122.820 0.010 0.000 2.287 195 A HA 0.505 4.825 4.320 0.000 0.000 0.214 195 A C 0.644 178.233 177.584 0.008 0.000 1.228 195 A CA -0.454 51.592 52.037 0.014 0.000 0.939 195 A CB -0.079 18.935 19.000 0.024 0.000 0.992 195 A HN 0.499 nan 8.150 nan 0.000 0.502 196 I N 0.796 121.367 120.570 0.002 0.000 2.752 196 I HA 0.228 4.398 4.170 0.000 0.000 0.289 196 I C 1.546 177.660 176.117 -0.006 0.000 1.197 196 I CA 1.550 62.846 61.300 -0.005 0.000 1.432 196 I CB 0.348 38.343 38.000 -0.009 0.000 1.359 196 I HN 0.495 nan 8.210 nan 0.000 0.571 197 G N 3.886 112.681 108.800 -0.009 0.000 2.143 197 G HA2 -0.278 3.682 3.960 0.000 0.000 0.249 197 G HA3 -0.278 3.682 3.960 0.000 0.000 0.249 197 G C 0.583 175.481 174.900 -0.004 0.000 0.981 197 G CA 0.472 45.567 45.100 -0.009 0.000 0.665 197 G HN 0.809 nan 8.290 nan 0.000 0.528 198 T N -2.391 112.163 114.554 0.000 0.000 3.132 198 T HA 0.410 4.760 4.350 0.000 0.000 0.274 198 T C 0.550 175.255 174.700 0.009 0.000 1.011 198 T CA 0.841 62.944 62.100 0.005 0.000 0.899 198 T CB 0.246 69.120 68.868 0.009 0.000 1.089 198 T HN 0.490 nan 8.240 nan 0.000 0.543 199 D N 1.178 121.581 120.400 0.005 0.000 2.746 199 D HA -0.122 4.518 4.640 0.000 0.000 0.236 199 D C 0.503 176.819 176.300 0.027 0.000 1.129 199 D CA 0.871 54.876 54.000 0.008 0.000 0.691 199 D CB -1.645 39.160 40.800 0.008 0.000 1.077 199 D HN 0.847 nan 8.370 nan 0.000 0.432 200 A N -0.085 122.752 122.820 0.029 0.000 2.386 200 A HA 0.370 4.690 4.320 0.000 0.000 0.246 200 A C 0.399 178.042 177.584 0.099 0.000 1.089 200 A CA -0.353 51.723 52.037 0.065 0.000 0.790 200 A CB 0.219 19.250 19.000 0.052 0.000 1.042 200 A HN 0.208 nan 8.150 nan 0.000 0.497 201 F N 0.947 120.887 119.950 -0.017 0.000 2.590 201 F HA 0.125 4.652 4.527 0.000 0.000 0.389 201 F C 1.220 177.008 175.800 -0.020 0.000 1.049 201 F CA 1.183 59.172 58.000 -0.019 0.000 1.199 201 F CB -0.415 38.574 39.000 -0.018 0.000 1.058 201 F HN 0.781 nan 8.300 nan 0.000 0.556 202 Q N 1.921 121.375 119.800 -0.578 0.000 2.481 202 Q HA -0.308 4.032 4.340 0.000 0.000 0.272 202 Q C -0.127 175.719 176.000 -0.257 0.000 1.157 202 Q CA 1.242 56.720 55.803 -0.542 0.000 0.935 202 Q CB -1.294 26.942 28.738 -0.836 0.000 1.338 202 Q HN 0.862 nan 8.270 nan 0.000 0.494 203 E N -0.117 119.994 120.200 -0.148 0.000 2.231 203 E HA 0.673 5.023 4.350 0.000 0.000 0.277 203 E C -0.829 175.723 176.600 -0.081 0.000 0.999 203 E CA 0.171 56.518 56.400 -0.089 0.000 0.827 203 E CB 1.158 30.831 29.700 -0.045 0.000 1.101 203 E HN 0.295 nan 8.360 nan 0.000 0.393 204 A N 3.593 126.369 122.820 -0.073 0.000 2.574 204 A HA 0.222 4.542 4.320 0.000 0.000 0.297 204 A C -1.179 176.368 177.584 -0.062 0.000 1.062 204 A CA -0.786 51.211 52.037 -0.067 0.000 0.686 204 A CB 1.668 20.622 19.000 -0.077 0.000 1.285 204 A HN 0.675 nan 8.150 nan 0.000 0.403 205 D N 2.575 122.940 120.400 -0.059 0.000 2.608 205 D HA 0.232 4.873 4.640 0.000 0.000 0.224 205 D C 1.183 177.440 176.300 -0.071 0.000 1.123 205 D CA 0.132 54.096 54.000 -0.060 0.000 1.030 205 D CB 0.171 40.938 40.800 -0.055 0.000 1.093 205 D HN 0.157 nan 8.370 nan 0.000 0.497 206 V N 2.318 122.187 119.914 -0.075 0.000 2.407 206 V HA -0.217 3.903 4.120 0.000 0.000 0.248 206 V C 2.537 178.570 176.094 -0.103 0.000 1.055 206 V CA 0.950 63.199 62.300 -0.085 0.000 1.049 206 V CB -0.222 31.554 31.823 -0.079 0.000 0.662 206 V HN 0.375 nan 8.190 nan 0.000 0.455 207 V N 1.011 120.861 119.914 -0.108 0.000 2.407 207 V HA -0.178 3.942 4.120 0.000 0.000 0.248 207 V C 2.569 178.589 176.094 -0.123 0.000 1.055 207 V CA 2.216 64.436 62.300 -0.133 0.000 1.049 207 V CB -1.266 30.476 31.823 -0.135 0.000 0.662 207 V HN 0.612 nan 8.190 nan 0.000 0.455 208 G N -0.314 108.427 108.800 -0.099 0.000 2.394 208 G HA2 -0.163 3.797 3.960 0.000 0.000 0.214 208 G HA3 -0.163 3.797 3.960 0.000 0.000 0.214 208 G C 1.576 176.418 174.900 -0.095 0.000 1.176 208 G CA 0.795 45.841 45.100 -0.089 0.000 0.786 208 G HN 0.462 nan 8.290 nan 0.000 0.533 209 I N 1.859 122.373 120.570 -0.093 0.000 2.208 209 I HA -0.199 3.971 4.170 0.000 0.000 0.245 209 I C 2.784 178.831 176.117 -0.117 0.000 1.097 209 I CA 1.694 62.937 61.300 -0.095 0.000 1.363 209 I CB -0.154 37.794 38.000 -0.087 0.000 1.051 209 I HN 0.331 nan 8.210 nan 0.000 0.413 210 S N 0.475 116.098 115.700 -0.128 0.000 2.631 210 S HA 0.119 4.589 4.470 0.000 0.000 0.217 210 S C 2.188 176.679 174.600 -0.182 0.000 0.958 210 S CA 0.328 58.435 58.200 -0.154 0.000 0.920 210 S CB -0.348 62.767 63.200 -0.142 0.000 0.776 210 S HN 0.418 nan 8.310 nan 0.000 0.517 211 R N 2.469 122.872 120.500 -0.163 0.000 2.083 211 R HA -0.075 4.265 4.340 0.000 0.000 0.237 211 R C 2.560 178.736 176.300 -0.207 0.000 1.137 211 R CA 2.250 58.255 56.100 -0.158 0.000 0.951 211 R CB -2.042 28.186 30.300 -0.120 0.000 0.851 211 R HN 0.854 nan 8.270 nan 0.000 0.434 212 S N -0.533 115.024 115.700 -0.239 0.000 2.481 212 S HA -0.064 4.406 4.470 0.000 0.000 0.231 212 S C 1.757 175.939 174.600 -0.696 0.000 0.996 212 S CA 0.755 58.754 58.200 -0.336 0.000 0.942 212 S CB -0.993 62.070 63.200 -0.228 0.000 0.768 212 S HN 1.021 nan 8.310 nan 0.000 0.520 213 C N 1.554 120.477 119.300 -0.628 0.000 2.742 213 C HA 0.669 5.129 4.460 0.000 0.000 0.283 213 C C 0.504 175.156 174.990 -0.563 0.000 1.451 213 C CA -0.388 58.129 59.018 -0.837 0.000 1.785 213 C CB -1.703 25.813 27.740 -0.374 0.000 2.664 213 C HN 0.537 nan 8.230 nan 0.000 0.544 214 T N -3.401 110.888 114.554 -0.442 0.000 2.956 214 T HA 0.420 4.770 4.350 0.000 0.000 0.312 214 T C 0.208 175.055 174.700 0.245 0.000 1.151 214 T CA -0.517 61.600 62.100 0.028 0.000 1.024 214 T CB 1.563 70.409 68.868 -0.038 0.000 1.140 214 T HN 0.204 nan 8.240 nan 0.000 0.473 215 K N 0.219 120.854 120.400 0.392 0.000 2.147 215 K HA 0.097 4.417 4.320 0.000 0.000 0.205 215 K C -0.089 176.717 176.600 0.343 0.000 1.049 215 K CA 1.025 57.526 56.287 0.356 0.000 0.936 215 K CB 0.120 32.752 32.500 0.220 0.000 0.722 215 K HN 0.699 nan 8.250 nan 0.000 0.446 216 W N 0.615 121.940 121.300 0.042 0.000 3.464 216 W HA 0.173 4.833 4.660 0.000 0.000 0.292 216 W C -2.172 174.331 176.519 -0.026 0.000 1.262 216 W CA -0.889 56.459 57.345 0.006 0.000 1.202 216 W CB 0.856 30.320 29.460 0.007 0.000 1.334 216 W HN 0.008 nan 8.180 nan 0.000 0.561 217 N N 3.147 121.355 118.700 -0.820 0.000 2.732 217 N HA 0.791 5.531 4.740 0.000 0.000 0.259 217 N C -2.256 172.547 175.510 -1.177 0.000 1.402 217 N CA -0.649 51.890 53.050 -0.852 0.000 0.829 217 N CB 2.323 40.565 38.487 -0.408 0.000 1.495 217 N HN 0.706 nan 8.380 nan 0.000 0.511 218 V N -0.805 118.634 119.914 -0.792 0.000 3.278 218 V HA 0.600 4.721 4.120 0.000 0.000 0.288 218 V C -1.784 174.153 176.094 -0.262 0.000 1.514 218 V CA -0.926 61.049 62.300 -0.541 0.000 1.051 218 V CB 2.158 33.630 31.823 -0.584 0.000 1.163 218 V HN 0.934 nan 8.190 nan 0.000 0.458 219 M N 3.960 123.472 119.600 -0.146 0.000 2.134 219 M HA 0.583 5.063 4.480 0.000 0.000 0.310 219 M C -1.362 174.930 176.300 -0.012 0.000 0.966 219 M CA -0.671 54.589 55.300 -0.067 0.000 0.922 219 M CB 1.531 34.096 32.600 -0.059 0.000 1.537 219 M HN 0.565 nan 8.290 nan 0.000 0.424 220 V N 6.400 126.332 119.914 0.029 0.000 2.450 220 V HA 0.019 4.139 4.120 0.000 0.000 0.281 220 V C 0.699 176.821 176.094 0.046 0.000 1.019 220 V CA 0.304 62.642 62.300 0.063 0.000 1.062 220 V CB 0.450 32.335 31.823 0.102 0.000 0.979 220 V HN 0.865 nan 8.190 nan 0.000 0.477 221 K N 2.606 123.032 120.400 0.044 0.000 2.361 221 K HA 0.103 4.423 4.320 0.000 0.000 0.196 221 K C 0.647 177.270 176.600 0.039 0.000 1.039 221 K CA 0.458 56.765 56.287 0.034 0.000 1.001 221 K CB 0.298 32.816 32.500 0.030 0.000 0.795 221 K HN 0.864 nan 8.250 nan 0.000 0.495 222 S N -2.178 113.552 115.700 0.050 0.000 2.547 222 S HA 0.171 4.641 4.470 0.000 0.000 0.270 222 S C 0.458 175.094 174.600 0.060 0.000 1.150 222 S CA -0.774 57.455 58.200 0.049 0.000 0.850 222 S CB 1.385 64.614 63.200 0.047 0.000 1.118 222 S HN -0.183 nan 8.310 nan 0.000 0.461 223 V N 1.388 121.334 119.914 0.053 0.000 2.594 223 V HA -0.101 4.019 4.120 0.000 0.000 0.253 223 V C 2.051 178.188 176.094 0.073 0.000 1.069 223 V CA 2.534 64.868 62.300 0.056 0.000 1.082 223 V CB -1.048 30.800 31.823 0.042 0.000 0.680 223 V HN 0.939 nan 8.190 nan 0.000 0.469 224 E N 1.037 121.281 120.200 0.073 0.000 2.118 224 E HA -0.233 4.117 4.350 0.000 0.000 0.195 224 E C 2.021 178.680 176.600 0.098 0.000 0.992 224 E CA 1.777 58.228 56.400 0.084 0.000 0.804 224 E CB -0.231 29.510 29.700 0.069 0.000 0.741 224 E HN 0.964 nan 8.360 nan 0.000 0.458 225 E N 0.092 120.350 120.200 0.096 0.000 2.479 225 E HA -0.002 4.348 4.350 0.000 0.000 0.193 225 E C 1.640 178.322 176.600 0.136 0.000 1.049 225 E CA -0.085 56.382 56.400 0.112 0.000 0.870 225 E CB -0.026 29.737 29.700 0.106 0.000 0.944 225 E HN 0.117 nan 8.360 nan 0.000 0.492 226 L N 1.988 123.288 121.223 0.128 0.000 2.012 226 L HA -0.027 4.313 4.340 0.000 0.000 0.210 226 L C -0.781 176.189 176.870 0.166 0.000 1.073 226 L CA 1.918 56.846 54.840 0.147 0.000 0.748 226 L CB -0.839 41.285 42.059 0.108 0.000 0.891 226 L HN 0.043 nan 8.230 nan 0.000 0.431 227 P HA -0.165 nan 4.420 nan 0.000 0.215 227 P C 1.919 179.322 177.300 0.172 0.000 1.153 227 P CA 1.192 64.399 63.100 0.178 0.000 0.853 227 P CB -0.115 31.746 31.700 0.268 0.000 0.788 228 L N -0.375 120.943 121.223 0.159 0.000 1.970 228 L HA -0.170 4.170 4.340 0.000 0.000 0.212 228 L C 2.238 179.216 176.870 0.179 0.000 1.071 228 L CA 2.085 57.010 54.840 0.142 0.000 0.751 228 L CB -0.956 41.178 42.059 0.126 0.000 0.889 228 L HN -0.216 nan 8.230 nan 0.000 0.432 229 R N 0.105 120.744 120.500 0.232 0.000 2.091 229 R HA -0.107 4.233 4.340 0.000 0.000 0.238 229 R C 2.327 178.850 176.300 0.372 0.000 1.136 229 R CA 1.995 58.297 56.100 0.336 0.000 0.959 229 R CB -1.194 29.302 30.300 0.327 0.000 0.856 229 R HN 0.510 nan 8.270 nan 0.000 0.437 230 I N 1.364 122.149 120.570 0.358 0.000 2.226 230 I HA -0.281 3.889 4.170 0.000 0.000 0.245 230 I C 1.804 178.168 176.117 0.411 0.000 1.100 230 I CA 1.182 62.757 61.300 0.459 0.000 1.374 230 I CB -0.403 37.819 38.000 0.371 0.000 1.057 230 I HN 0.144 nan 8.210 nan 0.000 0.413 231 N N 0.894 119.738 118.700 0.240 0.000 2.166 231 N HA -0.170 4.570 4.740 0.000 0.000 0.186 231 N C 1.706 177.292 175.510 0.126 0.000 1.019 231 N CA 1.298 54.444 53.050 0.160 0.000 0.856 231 N CB -0.227 38.310 38.487 0.085 0.000 0.993 231 N HN 0.487 nan 8.380 nan 0.000 0.426 232 E N 0.995 121.231 120.200 0.060 0.000 2.072 232 E HA -0.078 4.272 4.350 0.000 0.000 0.191 232 E C 2.034 178.511 176.600 -0.206 0.000 0.985 232 E CA 0.992 57.295 56.400 -0.161 0.000 0.801 232 E CB -0.097 29.405 29.700 -0.329 0.000 0.750 232 E HN 0.318 nan 8.360 nan 0.000 0.452 233 A N 1.168 124.021 122.820 0.055 0.000 1.865 233 A HA -0.202 4.118 4.320 0.000 0.000 0.217 233 A C 1.966 179.569 177.584 0.032 0.000 1.191 233 A CA 1.422 53.550 52.037 0.152 0.000 0.623 233 A CB -0.921 18.218 19.000 0.232 0.000 0.826 233 A HN 0.177 nan 8.150 nan 0.000 0.444 234 F N -0.172 119.804 119.950 0.043 0.000 2.134 234 F HA -0.116 4.411 4.527 0.000 0.000 0.299 234 F C 2.405 178.201 175.800 -0.007 0.000 1.097 234 F CA 1.750 59.769 58.000 0.031 0.000 1.264 234 F CB -0.274 38.754 39.000 0.046 0.000 1.001 234 F HN 0.421 nan 8.300 nan 0.000 0.479 235 E N 0.747 121.032 120.200 0.143 0.000 2.031 235 E HA -0.219 4.131 4.350 0.000 0.000 0.193 235 E C 2.295 178.881 176.600 -0.023 0.000 0.994 235 E CA 1.638 58.060 56.400 0.037 0.000 0.800 235 E CB -0.268 29.420 29.700 -0.020 0.000 0.752 235 E HN 0.402 nan 8.360 nan 0.000 0.447 236 I N 0.964 121.478 120.570 -0.092 0.000 2.226 236 I HA -0.245 3.925 4.170 0.000 0.000 0.245 236 I C 2.584 178.680 176.117 -0.036 0.000 1.100 236 I CA 1.008 62.242 61.300 -0.109 0.000 1.374 236 I CB -0.343 37.526 38.000 -0.217 0.000 1.057 236 I HN 0.179 nan 8.210 nan 0.000 0.413 237 A N 0.473 123.278 122.820 -0.025 0.000 2.019 237 A HA -0.189 4.131 4.320 0.000 0.000 0.219 237 A C 2.257 179.835 177.584 -0.010 0.000 1.164 237 A CA 2.221 54.243 52.037 -0.025 0.000 0.644 237 A CB -0.877 18.067 19.000 -0.093 0.000 0.805 237 A HN 0.546 nan 8.150 nan 0.000 0.449 238 T N -2.793 111.766 114.554 0.009 0.000 3.023 238 T HA 0.254 4.604 4.350 0.000 0.000 0.253 238 T C 0.843 175.549 174.700 0.009 0.000 1.038 238 T CA 0.525 62.638 62.100 0.021 0.000 0.962 238 T CB -0.371 68.531 68.868 0.056 0.000 1.018 238 T HN 0.502 nan 8.240 nan 0.000 0.521 239 S N 0.036 115.734 115.700 -0.003 0.000 2.730 239 S HA 0.738 5.208 4.470 0.000 0.000 0.284 239 S C 1.249 175.842 174.600 -0.012 0.000 1.153 239 S CA -0.194 58.002 58.200 -0.007 0.000 0.995 239 S CB 0.733 63.922 63.200 -0.018 0.000 1.058 239 S HN 0.989 nan 8.310 nan 0.000 0.552 240 G N 1.356 110.151 108.800 -0.009 0.000 2.651 240 G HA2 -0.332 3.628 3.960 0.000 0.000 0.315 240 G HA3 -0.332 3.628 3.960 0.000 0.000 0.315 240 G C -0.069 174.821 174.900 -0.016 0.000 1.258 240 G CA 0.556 45.649 45.100 -0.012 0.000 1.002 240 G HN 1.012 nan 8.290 nan 0.000 0.551 241 R N 1.820 122.301 120.500 -0.033 0.000 2.202 241 R HA 0.440 4.780 4.340 0.000 0.000 0.334 241 R C -2.308 173.959 176.300 -0.054 0.000 1.036 241 R CA -1.577 54.495 56.100 -0.047 0.000 0.878 241 R CB 0.700 30.954 30.300 -0.076 0.000 1.067 241 R HN 0.243 nan 8.270 nan 0.000 0.457 242 P HA 0.058 nan 4.420 nan 0.000 0.266 242 P C -0.549 176.717 177.300 -0.056 0.000 1.193 242 P CA 0.197 63.277 63.100 -0.033 0.000 0.770 242 P CB 0.888 32.577 31.700 -0.018 0.000 0.836 243 G N 1.915 110.695 108.800 -0.035 0.000 2.600 243 G HA2 0.550 4.510 3.960 0.000 0.000 0.293 243 G HA3 0.550 4.510 3.960 0.000 0.000 0.293 243 G C -3.298 171.617 174.900 0.025 0.000 1.408 243 G CA -1.048 44.037 45.100 -0.025 0.000 0.782 243 G HN 0.252 nan 8.290 nan 0.000 0.482 244 P HA 0.522 nan 4.420 nan 0.000 0.286 244 P C -0.400 176.943 177.300 0.072 0.000 1.261 244 P CA -0.402 62.733 63.100 0.057 0.000 0.821 244 P CB 1.897 33.643 31.700 0.077 0.000 1.013 245 V N 0.947 120.859 119.914 -0.002 0.000 3.007 245 V HA 0.715 4.835 4.120 0.000 0.000 0.311 245 V C -0.982 175.047 176.094 -0.109 0.000 1.120 245 V CA -1.188 61.128 62.300 0.027 0.000 0.980 245 V CB 2.073 33.981 31.823 0.142 0.000 1.033 245 V HN 0.501 nan 8.190 nan 0.000 0.429 246 L N 2.892 124.024 121.223 -0.151 0.000 2.386 246 L HA 0.874 5.214 4.340 0.000 0.000 0.271 246 L C -1.369 175.334 176.870 -0.277 0.000 0.993 246 L CA -0.603 54.101 54.840 -0.226 0.000 0.819 246 L CB 2.125 44.075 42.059 -0.181 0.000 1.294 246 L HN 0.680 nan 8.230 nan 0.000 0.414 247 V N 3.299 123.049 119.914 -0.273 0.000 2.349 247 V HA 0.294 4.414 4.120 0.000 0.000 0.284 247 V C -0.784 175.298 176.094 -0.019 0.000 1.014 247 V CA -0.578 61.633 62.300 -0.149 0.000 0.826 247 V CB 1.407 33.191 31.823 -0.065 0.000 1.009 247 V HN 0.667 nan 8.190 nan 0.000 0.431 248 D N 4.465 124.838 120.400 -0.044 0.000 2.317 248 D HA 0.407 5.047 4.640 0.000 0.000 0.252 248 D C -0.436 175.888 176.300 0.040 0.000 1.174 248 D CA 0.182 54.176 54.000 -0.011 0.000 0.866 248 D CB 0.949 41.716 40.800 -0.055 0.000 1.127 248 D HN 0.426 nan 8.370 nan 0.000 0.467 249 L N 6.030 127.289 121.223 0.060 0.000 2.337 249 L HA 0.386 4.726 4.340 0.000 0.000 0.269 249 L C -2.190 174.695 176.870 0.025 0.000 1.018 249 L CA -2.002 52.874 54.840 0.059 0.000 0.876 249 L CB 1.558 43.658 42.059 0.068 0.000 1.236 249 L HN 0.179 nan 8.230 nan 0.000 0.436 250 P HA -0.010 nan 4.420 nan 0.000 0.264 250 P C 0.551 177.857 177.300 0.010 0.000 1.193 250 P CA -0.031 63.075 63.100 0.011 0.000 0.763 250 P CB 0.843 32.550 31.700 0.012 0.000 0.810 251 K N 3.574 123.978 120.400 0.006 0.000 2.113 251 K HA -0.236 4.084 4.320 0.000 0.000 0.208 251 K C 1.160 177.764 176.600 0.007 0.000 1.047 251 K CA 2.064 58.355 56.287 0.005 0.000 0.928 251 K CB -0.223 32.283 32.500 0.009 0.000 0.716 251 K HN 0.542 nan 8.250 nan 0.000 0.446 252 D N -0.167 120.239 120.400 0.010 0.000 2.269 252 D HA -0.106 4.534 4.640 0.000 0.000 0.208 252 D C 1.811 178.118 176.300 0.013 0.000 0.963 252 D CA 0.616 54.623 54.000 0.011 0.000 0.864 252 D CB -0.185 40.622 40.800 0.012 0.000 0.936 252 D HN 0.113 nan 8.370 nan 0.000 0.505 253 V N 1.409 121.332 119.914 0.016 0.000 2.446 253 V HA -0.157 3.963 4.120 0.000 0.000 0.244 253 V C 2.773 178.877 176.094 0.018 0.000 1.039 253 V CA 2.101 64.414 62.300 0.022 0.000 1.045 253 V CB -0.679 31.163 31.823 0.032 0.000 0.681 253 V HN 0.444 nan 8.190 nan 0.000 0.459 254 T N -1.387 113.172 114.554 0.009 0.000 3.035 254 T HA 0.041 4.392 4.350 0.000 0.000 0.268 254 T C 1.647 176.343 174.700 -0.007 0.000 1.109 254 T CA 1.175 63.272 62.100 -0.005 0.000 1.119 254 T CB -0.112 68.737 68.868 -0.032 0.000 0.900 254 T HN 0.411 nan 8.240 nan 0.000 0.503 255 A N 1.133 123.952 122.820 -0.001 0.000 2.095 255 A HA 0.747 5.067 4.320 0.000 0.000 0.212 255 A C 1.557 179.143 177.584 0.004 0.000 1.162 255 A CA 0.234 52.270 52.037 -0.001 0.000 0.753 255 A CB -0.615 18.385 19.000 0.000 0.000 0.840 255 A HN 0.731 nan 8.150 nan 0.000 0.468 256 A N 0.031 122.856 122.820 0.009 0.000 2.445 256 A HA 0.513 4.833 4.320 0.000 0.000 0.242 256 A C -0.046 177.546 177.584 0.014 0.000 1.075 256 A CA 0.072 52.117 52.037 0.013 0.000 0.777 256 A CB -0.139 18.872 19.000 0.019 0.000 1.013 256 A HN 0.383 nan 8.150 nan 0.000 0.493 257 I N 1.894 122.475 120.570 0.017 0.000 2.336 257 I HA 0.158 4.328 4.170 0.000 0.000 0.292 257 I C -0.253 175.883 176.117 0.031 0.000 0.991 257 I CA -0.736 60.577 61.300 0.021 0.000 1.227 257 I CB 1.529 39.541 38.000 0.020 0.000 1.366 257 I HN 0.589 nan 8.210 nan 0.000 0.466 258 L N 8.088 129.336 121.223 0.042 0.000 2.500 258 L HA 0.127 4.467 4.340 0.000 0.000 0.272 258 L C 1.166 178.069 176.870 0.055 0.000 1.149 258 L CA 0.703 55.578 54.840 0.058 0.000 0.897 258 L CB -0.064 42.049 42.059 0.089 0.000 1.178 258 L HN 0.528 nan 8.230 nan 0.000 0.473 259 R N 2.415 122.943 120.500 0.046 0.000 2.123 259 R HA 0.252 4.592 4.340 0.000 0.000 0.209 259 R C 0.066 176.390 176.300 0.040 0.000 1.078 259 R CA 0.408 56.532 56.100 0.039 0.000 1.028 259 R CB -0.275 30.043 30.300 0.030 0.000 0.939 259 R HN 0.620 nan 8.270 nan 0.000 0.463 260 N N 2.415 121.140 118.700 0.042 0.000 2.492 260 N HA 0.269 5.009 4.740 0.000 0.000 0.289 260 N C -2.401 173.137 175.510 0.046 0.000 1.133 260 N CA -1.473 51.600 53.050 0.038 0.000 0.961 260 N CB 1.008 39.516 38.487 0.034 0.000 1.186 260 N HN -0.007 nan 8.380 nan 0.000 0.493 261 P HA 0.256 nan 4.420 nan 0.000 0.274 261 P C -0.470 176.851 177.300 0.035 0.000 1.231 261 P CA -0.192 62.926 63.100 0.031 0.000 0.790 261 P CB 0.869 32.578 31.700 0.014 0.000 0.951 262 I N -2.156 118.436 120.570 0.036 0.000 2.846 262 I HA 0.578 4.748 4.170 0.000 0.000 0.307 262 I C -2.883 173.246 176.117 0.021 0.000 1.053 262 I CA -3.821 57.504 61.300 0.043 0.000 1.050 262 I CB 1.822 39.870 38.000 0.079 0.000 1.239 262 I HN -0.021 nan 8.210 nan 0.000 0.439 263 P HA 0.037 nan 4.420 nan 0.000 0.261 263 P C 0.424 177.724 177.300 0.000 0.000 1.183 263 P CA 0.349 63.456 63.100 0.012 0.000 0.761 263 P CB 0.556 32.268 31.700 0.021 0.000 0.785 264 T N 1.609 116.151 114.554 -0.020 0.000 2.881 264 T HA -0.167 4.183 4.350 0.000 0.000 0.270 264 T C 2.077 176.762 174.700 -0.025 0.000 1.068 264 T CA 1.949 64.024 62.100 -0.041 0.000 1.131 264 T CB -0.410 68.428 68.868 -0.051 0.000 0.871 264 T HN 0.461 nan 8.240 nan 0.000 0.479 265 K N 1.499 121.894 120.400 -0.009 0.000 2.211 265 K HA -0.058 4.262 4.320 0.000 0.000 0.203 265 K C 2.177 178.784 176.600 0.011 0.000 1.050 265 K CA 1.698 57.983 56.287 -0.002 0.000 0.945 265 K CB -1.340 31.161 32.500 0.002 0.000 0.732 265 K HN 0.670 nan 8.250 nan 0.000 0.451 266 T N -2.689 111.879 114.554 0.023 0.000 3.163 266 T HA 0.026 4.376 4.350 0.000 0.000 0.252 266 T C 1.532 176.274 174.700 0.070 0.000 1.056 266 T CA 1.052 63.181 62.100 0.048 0.000 0.947 266 T CB 0.011 68.916 68.868 0.062 0.000 1.016 266 T HN 0.481 nan 8.240 nan 0.000 0.554 267 T N -0.848 113.732 114.554 0.043 0.000 2.959 267 T HA 0.439 4.789 4.350 0.000 0.000 0.254 267 T C 0.341 175.062 174.700 0.034 0.000 1.003 267 T CA -0.450 61.689 62.100 0.064 0.000 0.950 267 T CB -0.149 68.694 68.868 -0.042 0.000 1.090 267 T HN 0.338 nan 8.240 nan 0.000 0.503 268 L N 2.419 123.643 121.223 0.003 0.000 2.309 268 L HA 0.555 4.895 4.340 0.000 0.000 0.282 268 L C -2.225 174.642 176.870 -0.006 0.000 1.036 268 L CA -2.560 52.274 54.840 -0.011 0.000 0.806 268 L CB 1.233 43.277 42.059 -0.026 0.000 1.220 268 L HN -0.044 nan 8.230 nan 0.000 0.429 282 D N 1.142 121.578 120.400 0.061 0.000 2.178 282 D HA -0.037 4.603 4.640 0.000 0.000 0.201 282 D C 2.023 178.352 176.300 0.049 0.000 0.980 282 D CA 1.818 55.846 54.000 0.047 0.000 0.842 282 D CB -0.084 40.734 40.800 0.030 0.000 0.948 282 D HN 0.822 nan 8.370 nan 0.000 0.472 283 E N 1.314 121.553 120.200 0.065 0.000 2.031 283 E HA -0.196 4.154 4.350 0.000 0.000 0.193 283 E C 1.766 178.415 176.600 0.081 0.000 0.994 283 E CA 0.851 57.288 56.400 0.062 0.000 0.800 283 E CB -1.334 28.407 29.700 0.068 0.000 0.752 283 E HN 0.301 nan 8.360 nan 0.000 0.447 284 F N 1.137 121.075 119.950 -0.020 0.000 2.192 284 F HA -0.178 4.349 4.527 0.000 0.000 0.301 284 F C 2.344 178.122 175.800 -0.037 0.000 1.079 284 F CA 1.772 59.756 58.000 -0.027 0.000 1.303 284 F CB -0.298 38.686 39.000 -0.028 0.000 1.024 284 F HN 0.095 nan 8.300 nan 0.000 0.494 285 V N -0.140 119.720 119.914 -0.090 0.000 2.270 285 V HA -0.317 3.803 4.120 0.000 0.000 0.245 285 V C 2.514 178.493 176.094 -0.191 0.000 1.043 285 V CA 1.829 64.020 62.300 -0.182 0.000 1.014 285 V CB -0.651 31.139 31.823 -0.054 0.000 0.645 285 V HN 0.299 nan 8.190 nan 0.000 0.447 286 M N -0.312 119.226 119.600 -0.103 0.000 2.149 286 M HA -0.212 4.268 4.480 0.000 0.000 0.261 286 M C 2.264 178.496 176.300 -0.114 0.000 1.064 286 M CA 1.763 57.014 55.300 -0.081 0.000 1.102 286 M CB -1.071 31.508 32.600 -0.035 0.000 1.369 286 M HN 0.442 nan 8.290 nan 0.000 0.408 287 Q N -1.248 118.466 119.800 -0.144 0.000 2.124 287 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 287 Q C 2.059 177.927 176.000 -0.219 0.000 0.977 287 Q CA 1.889 57.601 55.803 -0.151 0.000 0.850 287 Q CB -0.069 28.593 28.738 -0.126 0.000 0.901 287 Q HN 0.460 nan 8.270 nan 0.000 0.429 288 S N 0.496 115.983 115.700 -0.354 0.000 2.406 288 S HA -0.034 4.436 4.470 0.000 0.000 0.228 288 S C 1.894 176.346 174.600 -0.246 0.000 1.020 288 S CA 0.658 58.641 58.200 -0.361 0.000 0.965 288 S CB -0.066 62.823 63.200 -0.519 0.000 0.798 288 S HN 0.297 nan 8.310 nan 0.000 0.488 289 I N 2.235 122.687 120.570 -0.197 0.000 2.286 289 I HA -0.188 3.982 4.170 0.000 0.000 0.248 289 I C 2.091 178.164 176.117 -0.073 0.000 1.115 289 I CA 0.858 62.092 61.300 -0.110 0.000 1.392 289 I CB -0.435 37.529 38.000 -0.059 0.000 1.065 289 I HN 0.263 nan 8.210 nan 0.000 0.418 290 N N 1.279 119.928 118.700 -0.084 0.000 2.106 290 N HA -0.132 4.608 4.740 0.000 0.000 0.188 290 N C 1.777 177.245 175.510 -0.071 0.000 1.029 290 N CA 1.214 54.224 53.050 -0.067 0.000 0.848 290 N CB -0.223 38.230 38.487 -0.056 0.000 1.007 290 N HN 0.369 nan 8.380 nan 0.000 0.423 291 K N 1.034 121.384 120.400 -0.084 0.000 2.103 291 K HA -0.014 4.306 4.320 0.000 0.000 0.207 291 K C 2.087 178.649 176.600 -0.062 0.000 1.048 291 K CA 1.137 57.380 56.287 -0.072 0.000 0.930 291 K CB -0.099 32.349 32.500 -0.086 0.000 0.716 291 K HN 0.121 nan 8.250 nan 0.000 0.444 292 A N 1.675 124.453 122.820 -0.070 0.000 1.877 292 A HA -0.123 4.197 4.320 0.000 0.000 0.216 292 A C 2.419 180.001 177.584 -0.004 0.000 1.186 292 A CA 1.826 53.848 52.037 -0.025 0.000 0.620 292 A CB -0.733 18.254 19.000 -0.022 0.000 0.822 292 A HN 0.325 nan 8.150 nan 0.000 0.443 293 A N 0.222 123.025 122.820 -0.029 0.000 1.883 293 A HA -0.238 4.082 4.320 0.000 0.000 0.217 293 A C 1.781 179.292 177.584 -0.121 0.000 1.186 293 A CA 2.019 54.011 52.037 -0.075 0.000 0.624 293 A CB -0.670 18.266 19.000 -0.106 0.000 0.822 293 A HN 0.505 nan 8.150 nan 0.000 0.444 294 D N -0.479 119.861 120.400 -0.101 0.000 2.097 294 D HA -0.125 4.515 4.640 0.000 0.000 0.195 294 D C 1.822 178.090 176.300 -0.054 0.000 0.989 294 D CA 1.237 55.184 54.000 -0.089 0.000 0.827 294 D CB -0.506 40.262 40.800 -0.052 0.000 0.966 294 D HN 0.324 nan 8.370 nan 0.000 0.456 295 L N 1.060 122.263 121.223 -0.033 0.000 2.131 295 L HA -0.080 4.260 4.340 0.000 0.000 0.210 295 L C 2.091 178.957 176.870 -0.008 0.000 1.092 295 L CA 1.145 55.977 54.840 -0.014 0.000 0.759 295 L CB -0.379 41.679 42.059 -0.002 0.000 0.903 295 L HN 0.008 nan 8.230 nan 0.000 0.435 296 I N -0.676 119.888 120.570 -0.010 0.000 2.676 296 I HA -0.210 3.960 4.170 0.000 0.000 0.259 296 I C 1.782 177.891 176.117 -0.013 0.000 1.194 296 I CA 0.513 61.813 61.300 0.000 0.000 1.473 296 I CB -0.437 37.567 38.000 0.007 0.000 1.096 296 I HN 0.362 nan 8.210 nan 0.000 0.443 297 N N 0.815 119.491 118.700 -0.041 0.000 2.250 297 N HA -0.092 4.649 4.740 0.000 0.000 0.181 297 N C 1.589 177.115 175.510 0.026 0.000 1.017 297 N CA 0.941 53.985 53.050 -0.010 0.000 0.866 297 N CB -0.062 38.397 38.487 -0.047 0.000 0.985 297 N HN 0.224 nan 8.380 nan 0.000 0.429 298 L N 1.049 122.276 121.223 0.007 0.000 2.645 298 L HA 0.290 4.630 4.340 0.000 0.000 0.235 298 L C 0.143 177.003 176.870 -0.017 0.000 1.150 298 L CA -0.137 54.705 54.840 0.004 0.000 0.911 298 L CB -0.723 41.336 42.059 -0.000 0.000 1.077 298 L HN -0.097 nan 8.230 nan 0.000 0.438 299 A N -0.444 122.365 122.820 -0.018 0.000 2.301 299 A HA 0.517 4.837 4.320 0.000 0.000 0.298 299 A C 0.824 178.364 177.584 -0.074 0.000 1.185 299 A CA -0.483 51.524 52.037 -0.049 0.000 0.830 299 A CB 0.404 19.387 19.000 -0.027 0.000 1.112 299 A HN 0.211 nan 8.150 nan 0.000 0.508 300 K N 1.286 121.598 120.400 -0.147 0.000 2.365 300 K HA 0.138 4.458 4.320 0.000 0.000 0.195 300 K C -0.183 176.175 176.600 -0.404 0.000 1.079 300 K CA 0.856 57.034 56.287 -0.180 0.000 0.979 300 K CB 0.463 32.873 32.500 -0.150 0.000 0.929 300 K HN 0.674 nan 8.250 nan 0.000 0.523 301 K N 2.008 122.035 120.400 -0.623 0.000 3.084 301 K HA 0.219 4.539 4.320 0.000 0.000 0.172 301 K C -2.723 173.433 176.600 -0.740 0.000 1.078 301 K CA -1.320 54.081 56.287 -1.476 0.000 0.875 301 K CB 1.781 33.300 32.500 -1.634 0.000 1.064 301 K HN -0.031 nan 8.250 nan 0.000 0.597 302 P HA 0.194 nan 4.420 nan 0.000 0.277 302 P C -0.468 177.051 177.300 0.365 0.000 1.240 302 P CA -0.389 62.770 63.100 0.098 0.000 0.798 302 P CB 1.744 33.510 31.700 0.111 0.000 0.979 303 V N 3.502 123.565 119.914 0.248 0.000 2.668 303 V HA 0.254 4.374 4.120 0.000 0.000 0.304 303 V C 0.102 176.281 176.094 0.142 0.000 1.071 303 V CA -0.636 61.803 62.300 0.231 0.000 0.894 303 V CB 2.084 34.048 31.823 0.236 0.000 1.008 303 V HN 0.427 nan 8.190 nan 0.000 0.425 304 L N 4.933 126.201 121.223 0.076 0.000 2.260 304 L HA 0.426 4.766 4.340 0.000 0.000 0.289 304 L C -0.985 175.919 176.870 0.056 0.000 1.057 304 L CA -0.571 54.288 54.840 0.031 0.000 0.811 304 L CB 0.752 42.771 42.059 -0.066 0.000 1.184 304 L HN 0.741 nan 8.230 nan 0.000 0.429 305 Y N 5.704 125.972 120.300 -0.053 0.000 2.700 305 Y HA 0.456 5.006 4.550 0.000 0.000 0.333 305 Y C -0.712 175.129 175.900 -0.099 0.000 1.036 305 Y CA -1.088 56.958 58.100 -0.089 0.000 1.287 305 Y CB 0.478 38.874 38.460 -0.106 0.000 1.132 305 Y HN 0.180 nan 8.280 nan 0.000 0.510 306 V N 5.612 125.411 119.914 -0.192 0.000 2.539 306 V HA 0.849 4.969 4.120 0.000 0.000 0.292 306 V C 0.619 176.542 176.094 -0.286 0.000 1.045 306 V CA -0.027 62.119 62.300 -0.256 0.000 0.945 306 V CB 1.090 32.829 31.823 -0.140 0.000 0.993 306 V HN 0.896 nan 8.190 nan 0.000 0.464 307 G N 1.414 110.050 108.800 -0.274 0.000 3.176 307 G HA2 0.580 4.540 3.960 0.000 0.000 0.272 307 G HA3 0.580 4.540 3.960 0.000 0.000 0.272 307 G C 0.776 175.609 174.900 -0.112 0.000 1.349 307 G CA -0.014 44.964 45.100 -0.203 0.000 0.953 307 G HN 0.869 nan 8.290 nan 0.000 0.559 308 A N -0.821 121.948 122.820 -0.084 0.000 2.076 308 A HA 0.098 4.418 4.320 0.000 0.000 0.220 308 A C 2.494 180.064 177.584 -0.025 0.000 1.160 308 A CA 2.455 54.462 52.037 -0.050 0.000 0.653 308 A CB -1.003 17.968 19.000 -0.047 0.000 0.801 308 A HN 1.283 nan 8.150 nan 0.000 0.455 309 G N 0.076 108.858 108.800 -0.031 0.000 2.442 309 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 309 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 309 G C 1.389 176.297 174.900 0.014 0.000 1.141 309 G CA 1.201 46.299 45.100 -0.003 0.000 0.763 309 G HN 0.487 nan 8.290 nan 0.000 0.554 310 I N 0.475 121.037 120.570 -0.013 0.000 2.567 310 I HA 0.013 4.183 4.170 0.000 0.000 0.257 310 I C 2.211 178.349 176.117 0.034 0.000 1.184 310 I CA 0.670 61.966 61.300 -0.006 0.000 1.451 310 I CB -0.008 37.970 38.000 -0.037 0.000 1.089 310 I HN 0.115 nan 8.210 nan 0.000 0.441 311 L N -0.427 120.816 121.223 0.034 0.000 2.591 311 L HA 0.050 4.390 4.340 0.000 0.000 0.228 311 L C 1.200 178.198 176.870 0.213 0.000 1.133 311 L CA 0.380 55.268 54.840 0.079 0.000 0.880 311 L CB -0.620 41.443 42.059 0.006 0.000 1.033 311 L HN 0.226 nan 8.230 nan 0.000 0.450 312 N N -0.971 117.814 118.700 0.142 0.000 2.362 312 N HA -0.016 4.724 4.740 0.000 0.000 0.204 312 N C -0.141 175.457 175.510 0.146 0.000 1.166 312 N CA -0.022 53.101 53.050 0.122 0.000 0.831 312 N CB 0.238 38.770 38.487 0.076 0.000 1.008 312 N HN 0.178 nan 8.380 nan 0.000 0.472 313 H N -0.573 118.543 119.070 0.076 0.000 3.026 313 H HA 0.252 4.808 4.556 0.000 0.000 0.352 313 H C 0.090 175.466 175.328 0.080 0.000 1.090 313 H CA -0.502 55.581 56.048 0.059 0.000 1.268 313 H CB 1.660 31.445 29.762 0.039 0.000 1.816 313 H HN -0.009 nan 8.280 nan 0.000 0.518 314 A N 3.212 126.089 122.820 0.094 0.000 1.948 314 A HA -0.173 4.147 4.320 0.000 0.000 0.220 314 A C 1.332 179.079 177.584 0.272 0.000 1.177 314 A CA 1.952 54.088 52.037 0.165 0.000 0.636 314 A CB -0.074 18.945 19.000 0.030 0.000 0.815 314 A HN 0.725 nan 8.150 nan 0.000 0.449 315 D N -0.717 119.981 120.400 0.498 0.000 2.340 315 D HA 0.105 4.745 4.640 0.000 0.000 0.220 315 D C 1.809 178.149 176.300 0.068 0.000 1.039 315 D CA 0.775 54.897 54.000 0.202 0.000 0.866 315 D CB -0.255 40.616 40.800 0.119 0.000 0.913 315 D HN 0.430 nan 8.370 nan 0.000 0.523 316 G N 2.612 111.477 108.800 0.109 0.000 2.587 316 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 316 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 316 G C -0.676 174.235 174.900 0.019 0.000 1.240 316 G CA 0.569 45.683 45.100 0.024 0.000 0.794 316 G HN 0.254 nan 8.290 nan 0.000 0.580 317 P HA -0.128 nan 4.420 nan 0.000 0.216 317 P C 1.952 179.280 177.300 0.046 0.000 1.153 317 P CA 1.448 64.574 63.100 0.043 0.000 0.858 317 P CB -0.098 31.619 31.700 0.028 0.000 0.789 318 R N -0.179 120.343 120.500 0.037 0.000 2.073 318 R HA -0.093 4.247 4.340 0.000 0.000 0.234 318 R C 2.186 178.500 176.300 0.024 0.000 1.134 318 R CA 1.377 57.495 56.100 0.030 0.000 0.952 318 R CB -0.906 29.413 30.300 0.032 0.000 0.850 318 R HN 0.182 nan 8.270 nan 0.000 0.433 319 L N 0.895 122.121 121.223 0.004 0.000 2.275 319 L HA -0.145 4.195 4.340 0.000 0.000 0.215 319 L C 2.305 179.169 176.870 -0.010 0.000 1.119 319 L CA 0.195 55.024 54.840 -0.017 0.000 0.790 319 L CB -0.240 41.781 42.059 -0.063 0.000 0.919 319 L HN 0.284 nan 8.230 nan 0.000 0.443 320 L N 0.066 121.298 121.223 0.015 0.000 2.095 320 L HA -0.158 4.182 4.340 0.000 0.000 0.204 320 L C 2.462 179.410 176.870 0.131 0.000 1.080 320 L CA 1.735 56.601 54.840 0.043 0.000 0.759 320 L CB -0.537 41.568 42.059 0.076 0.000 0.914 320 L HN 0.077 nan 8.230 nan 0.000 0.439 321 K N -0.428 120.062 120.400 0.151 0.000 2.057 321 K HA -0.241 4.079 4.320 0.000 0.000 0.206 321 K C 2.109 178.783 176.600 0.123 0.000 1.050 321 K CA 1.659 58.050 56.287 0.174 0.000 0.935 321 K CB -0.148 32.389 32.500 0.062 0.000 0.715 321 K HN 0.513 nan 8.250 nan 0.000 0.439 322 E N 0.488 120.731 120.200 0.072 0.000 2.033 322 E HA -0.241 4.109 4.350 0.000 0.000 0.199 322 E C 2.065 178.700 176.600 0.058 0.000 1.011 322 E CA 1.429 57.861 56.400 0.053 0.000 0.815 322 E CB -0.133 29.585 29.700 0.029 0.000 0.755 322 E HN 0.243 nan 8.360 nan 0.000 0.451 323 L N 0.610 121.858 121.223 0.041 0.000 2.083 323 L HA -0.150 4.190 4.340 0.000 0.000 0.209 323 L C 2.378 179.289 176.870 0.067 0.000 1.083 323 L CA 2.157 57.015 54.840 0.031 0.000 0.752 323 L CB -0.762 41.285 42.059 -0.019 0.000 0.899 323 L HN 0.073 nan 8.230 nan 0.000 0.433 324 S N -0.988 114.776 115.700 0.106 0.000 2.368 324 S HA -0.168 4.302 4.470 0.000 0.000 0.224 324 S C 1.685 176.389 174.600 0.173 0.000 1.029 324 S CA 1.424 59.715 58.200 0.152 0.000 0.988 324 S CB -0.356 62.998 63.200 0.257 0.000 0.838 324 S HN 0.603 nan 8.310 nan 0.000 0.462 325 D N 0.910 121.404 120.400 0.156 0.000 2.091 325 D HA -0.057 4.583 4.640 0.000 0.000 0.199 325 D C 2.177 178.538 176.300 0.101 0.000 0.980 325 D CA 0.765 54.844 54.000 0.131 0.000 0.831 325 D CB -0.505 40.356 40.800 0.101 0.000 0.987 325 D HN 0.369 nan 8.370 nan 0.000 0.460 326 R N 0.766 121.316 120.500 0.084 0.000 2.115 326 R HA -0.153 4.187 4.340 0.000 0.000 0.239 326 R C 1.602 177.948 176.300 0.078 0.000 1.133 326 R CA 1.956 58.099 56.100 0.072 0.000 0.935 326 R CB -0.191 30.145 30.300 0.060 0.000 0.853 326 R HN 0.117 nan 8.270 nan 0.000 0.433 327 A N 0.231 123.102 122.820 0.084 0.000 2.379 327 A HA 0.100 4.420 4.320 0.000 0.000 0.236 327 A C -0.321 177.332 177.584 0.114 0.000 1.272 327 A CA -0.248 51.842 52.037 0.088 0.000 0.886 327 A CB 0.412 19.457 19.000 0.075 0.000 0.962 327 A HN 0.443 nan 8.150 nan 0.000 0.504 328 Q N -0.327 119.553 119.800 0.133 0.000 2.434 328 Q HA -0.179 4.161 4.340 0.000 0.000 0.366 328 Q C -0.799 175.399 176.000 0.331 0.000 1.398 328 Q CA 1.126 57.047 55.803 0.197 0.000 1.074 328 Q CB -1.500 27.258 28.738 0.033 0.000 1.236 328 Q HN 0.731 nan 8.270 nan 0.000 0.329 329 I N 2.602 123.353 120.570 0.301 0.000 2.436 329 I HA 0.355 4.525 4.170 0.000 0.000 0.289 329 I C -1.928 174.290 176.117 0.169 0.000 1.010 329 I CA -2.259 59.210 61.300 0.282 0.000 1.098 329 I CB 2.219 40.321 38.000 0.170 0.000 1.266 329 I HN 0.020 nan 8.210 nan 0.000 0.434 330 P HA 0.119 nan 4.420 nan 0.000 0.271 330 P C -0.798 176.405 177.300 -0.162 0.000 1.216 330 P CA -0.083 62.940 63.100 -0.127 0.000 0.776 330 P CB 1.460 32.998 31.700 -0.271 0.000 0.881 331 V N 3.004 122.698 119.914 -0.367 0.000 2.448 331 V HA 0.445 4.565 4.120 0.000 0.000 0.295 331 V C 0.548 176.433 176.094 -0.347 0.000 1.025 331 V CA -0.249 61.754 62.300 -0.495 0.000 0.859 331 V CB 1.698 32.828 31.823 -1.155 0.000 0.988 331 V HN 0.637 nan 8.190 nan 0.000 0.431 332 T N 3.197 117.651 114.554 -0.166 0.000 2.841 332 T HA 0.702 5.052 4.350 0.000 0.000 0.283 332 T C -0.230 174.467 174.700 -0.004 0.000 1.000 332 T CA -0.175 61.891 62.100 -0.058 0.000 0.977 332 T CB 1.414 70.276 68.868 -0.009 0.000 0.979 332 T HN 0.975 nan 8.240 nan 0.000 0.446 333 T N 1.015 115.580 114.554 0.020 0.000 2.932 333 T HA 0.720 5.070 4.350 0.000 0.000 0.289 333 T C 0.616 175.347 174.700 0.051 0.000 1.039 333 T CA -0.621 61.493 62.100 0.022 0.000 1.024 333 T CB 1.268 70.143 68.868 0.012 0.000 1.090 333 T HN 0.768 nan 8.240 nan 0.000 0.496 334 T N 0.153 114.727 114.554 0.033 0.000 2.770 334 T HA 0.312 4.662 4.350 0.000 0.000 0.281 334 T C 1.369 176.075 174.700 0.010 0.000 0.981 334 T CA -0.668 61.459 62.100 0.044 0.000 0.955 334 T CB 0.375 69.256 68.868 0.021 0.000 1.060 334 T HN 0.528 nan 8.240 nan 0.000 0.531 335 L N 0.499 121.732 121.223 0.017 0.000 2.042 335 L HA -0.078 4.262 4.340 0.000 0.000 0.210 335 L C 2.518 179.402 176.870 0.024 0.000 1.076 335 L CA 1.766 56.629 54.840 0.038 0.000 0.749 335 L CB -0.920 41.162 42.059 0.039 0.000 0.893 335 L HN 0.611 nan 8.230 nan 0.000 0.432 336 Q N -0.703 119.078 119.800 -0.032 0.000 2.482 336 Q HA 0.088 4.428 4.340 0.000 0.000 0.209 336 Q C 1.845 177.810 176.000 -0.058 0.000 0.961 336 Q CA 0.924 56.688 55.803 -0.065 0.000 0.945 336 Q CB -0.085 28.604 28.738 -0.081 0.000 1.012 336 Q HN 0.653 nan 8.270 nan 0.000 0.515 337 G N -0.024 108.744 108.800 -0.054 0.000 2.796 337 G HA2 0.123 4.083 3.960 0.000 0.000 0.210 337 G HA3 0.123 4.083 3.960 0.000 0.000 0.210 337 G C 0.630 175.496 174.900 -0.056 0.000 1.146 337 G CA -0.351 44.715 45.100 -0.057 0.000 0.779 337 G HN 0.173 nan 8.290 nan 0.000 0.535 338 L N 0.900 122.058 121.223 -0.109 0.000 2.615 338 L HA 0.275 4.615 4.340 0.000 0.000 0.284 338 L C 1.633 178.400 176.870 -0.171 0.000 1.237 338 L CA 1.240 55.937 54.840 -0.238 0.000 0.905 338 L CB 0.304 41.908 42.059 -0.759 0.000 1.149 338 L HN 0.356 nan 8.230 nan 0.000 0.499 339 G N 1.452 110.270 108.800 0.031 0.000 2.195 339 G HA2 -0.300 3.660 3.960 0.000 0.000 0.224 339 G HA3 -0.300 3.660 3.960 0.000 0.000 0.224 339 G C 0.824 175.763 174.900 0.064 0.000 0.990 339 G CA 0.377 45.547 45.100 0.116 0.000 0.639 339 G HN 0.729 nan 8.290 nan 0.000 0.514 340 S N -1.253 114.480 115.700 0.056 0.000 2.548 340 S HA 0.625 5.095 4.470 0.000 0.000 0.215 340 S C 0.252 174.953 174.600 0.169 0.000 0.976 340 S CA 0.408 58.639 58.200 0.051 0.000 0.908 340 S CB 0.274 63.485 63.200 0.017 0.000 0.781 340 S HN 1.115 nan 8.310 nan 0.000 0.519 341 F N 1.975 121.941 119.950 0.027 0.000 2.574 341 F HA 0.430 4.957 4.527 0.000 0.000 0.313 341 F C -1.040 174.805 175.800 0.075 0.000 1.130 341 F CA -1.226 56.798 58.000 0.040 0.000 0.936 341 F CB 1.571 40.589 39.000 0.031 0.000 1.219 341 F HN -0.078 nan 8.300 nan 0.000 0.445 342 D N 4.421 124.504 120.400 -0.528 0.000 2.401 342 D HA 0.049 4.689 4.640 0.000 0.000 0.254 342 D C 0.417 176.602 176.300 -0.192 0.000 1.192 342 D CA 0.438 54.265 54.000 -0.288 0.000 0.885 342 D CB 1.354 41.967 40.800 -0.311 0.000 1.147 342 D HN 0.755 nan 8.370 nan 0.000 0.478 343 Q N 2.276 122.109 119.800 0.054 0.000 2.482 343 Q HA -0.041 4.299 4.340 0.000 0.000 0.209 343 Q C 0.766 176.801 176.000 0.059 0.000 0.961 343 Q CA 0.388 56.273 55.803 0.137 0.000 0.945 343 Q CB 0.577 29.422 28.738 0.179 0.000 1.012 343 Q HN 0.493 nan 8.270 nan 0.000 0.515 344 E N 0.827 121.022 120.200 -0.009 0.000 2.442 344 E HA -0.036 4.314 4.350 0.000 0.000 0.195 344 E C 0.181 176.772 176.600 -0.015 0.000 1.030 344 E CA 0.247 56.636 56.400 -0.017 0.000 0.869 344 E CB 0.149 29.828 29.700 -0.036 0.000 0.857 344 E HN 0.291 nan 8.360 nan 0.000 0.505 345 D N 1.328 121.705 120.400 -0.039 0.000 2.390 345 D HA 0.014 4.654 4.640 0.000 0.000 0.249 345 D C -1.768 174.586 176.300 0.089 0.000 1.144 345 D CA -1.887 52.110 54.000 -0.005 0.000 0.880 345 D CB 1.752 42.481 40.800 -0.118 0.000 1.182 345 D HN -0.188 nan 8.370 nan 0.000 0.451 346 P HA -0.127 nan 4.420 nan 0.000 0.220 346 P C 0.530 177.847 177.300 0.027 0.000 1.144 346 P CA 1.261 64.397 63.100 0.060 0.000 0.800 346 P CB 0.229 31.982 31.700 0.087 0.000 0.772 347 K N -0.944 119.527 120.400 0.118 0.000 2.458 347 K HA 0.119 4.439 4.320 0.000 0.000 0.194 347 K C 0.635 177.272 176.600 0.061 0.000 1.024 347 K CA -0.001 56.311 56.287 0.041 0.000 1.108 347 K CB 0.014 32.643 32.500 0.216 0.000 0.846 347 K HN 0.018 nan 8.250 nan 0.000 0.518 348 S N 0.970 116.793 115.700 0.204 0.000 2.489 348 S HA 0.223 4.693 4.470 0.000 0.000 0.277 348 S C 0.809 175.418 174.600 0.015 0.000 1.230 348 S CA -0.586 57.745 58.200 0.217 0.000 1.053 348 S CB 0.505 63.935 63.200 0.384 0.000 0.955 348 S HN 0.218 nan 8.310 nan 0.000 0.488 349 L N 3.709 124.900 121.223 -0.052 0.000 2.585 349 L HA 0.271 4.611 4.340 0.000 0.000 0.226 349 L C 1.085 177.939 176.870 -0.027 0.000 1.113 349 L CA 0.115 54.911 54.840 -0.073 0.000 0.876 349 L CB -0.449 41.548 42.059 -0.104 0.000 1.072 349 L HN 0.825 nan 8.230 nan 0.000 0.468 350 D N -0.133 120.292 120.400 0.042 0.000 3.717 350 D HA -0.260 4.380 4.640 0.000 0.000 0.256 350 D C -0.308 176.048 176.300 0.092 0.000 1.849 350 D CA 0.682 54.747 54.000 0.109 0.000 1.170 350 D CB -0.256 40.608 40.800 0.105 0.000 0.828 350 D HN -0.018 nan 8.370 nan 0.000 1.027 351 M N 1.233 120.917 119.600 0.139 0.000 2.274 351 M HA 0.494 4.974 4.480 0.000 0.000 0.344 351 M C 0.084 176.427 176.300 0.072 0.000 1.161 351 M CA -0.447 54.916 55.300 0.106 0.000 1.126 351 M CB 0.748 33.421 32.600 0.122 0.000 1.522 351 M HN 0.386 nan 8.290 nan 0.000 0.461 352 L N 2.149 123.398 121.223 0.043 0.000 2.260 352 L HA 1.111 5.451 4.340 0.000 0.000 0.265 352 L C -0.051 176.822 176.870 0.006 0.000 1.015 352 L CA -0.190 54.651 54.840 0.001 0.000 0.826 352 L CB 1.481 43.523 42.059 -0.028 0.000 1.373 352 L HN 0.847 nan 8.230 nan 0.000 0.450 353 G N -0.232 108.554 108.800 -0.022 0.000 2.447 353 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 353 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 353 G C 0.100 174.980 174.900 -0.033 0.000 1.261 353 G CA 0.073 45.158 45.100 -0.025 0.000 1.000 353 G HN 1.084 nan 8.290 nan 0.000 0.515 354 M N -0.824 118.741 119.600 -0.057 0.000 2.103 354 M HA -0.142 4.338 4.480 0.000 0.000 0.255 354 M C 1.440 177.558 176.300 -0.303 0.000 1.074 354 M CA 2.543 57.745 55.300 -0.164 0.000 1.090 354 M CB -0.228 32.273 32.600 -0.165 0.000 1.325 354 M HN 0.585 nan 8.290 nan 0.000 0.403 355 H N -0.667 118.430 119.070 0.045 0.000 2.567 355 H HA 0.359 4.915 4.556 0.000 0.000 0.267 355 H C 0.415 175.780 175.328 0.062 0.000 1.148 355 H CA 0.279 56.353 56.048 0.044 0.000 1.031 355 H CB -0.286 29.481 29.762 0.009 0.000 1.691 355 H HN 0.413 nan 8.280 nan 0.000 0.588 356 G N 0.127 108.997 108.800 0.116 0.000 2.580 356 G HA2 0.143 4.103 3.960 0.000 0.000 0.278 356 G HA3 0.143 4.103 3.960 0.000 0.000 0.278 356 G C -0.061 174.897 174.900 0.098 0.000 1.212 356 G CA -0.400 44.773 45.100 0.122 0.000 0.939 356 G HN 0.397 nan 8.290 nan 0.000 0.513 357 C N 0.734 120.076 119.300 0.069 0.000 2.634 357 C HA 0.397 4.857 4.460 0.000 0.000 0.418 357 C C 2.164 176.948 174.990 -0.343 0.000 1.373 357 C CA 0.178 59.056 59.018 -0.233 0.000 1.756 357 C CB -0.477 27.055 27.740 -0.347 0.000 2.589 357 C HN 0.903 nan 8.230 nan 0.000 0.602 358 A N 4.729 127.224 122.820 -0.542 0.000 1.917 358 A HA -0.145 4.175 4.320 0.000 0.000 0.219 358 A C 2.170 179.421 177.584 -0.555 0.000 1.182 358 A CA 2.713 54.214 52.037 -0.893 0.000 0.633 358 A CB -1.185 17.019 19.000 -1.327 0.000 0.819 358 A HN 0.960 nan 8.150 nan 0.000 0.448 359 T N 0.356 114.720 114.554 -0.316 0.000 2.720 359 T HA -0.080 4.270 4.350 0.000 0.000 0.268 359 T C 2.181 176.752 174.700 -0.214 0.000 1.037 359 T CA 1.733 63.733 62.100 -0.167 0.000 1.144 359 T CB -0.491 68.365 68.868 -0.020 0.000 0.864 359 T HN 0.643 nan 8.240 nan 0.000 0.444 360 A N 2.299 125.001 122.820 -0.197 0.000 1.902 360 A HA -0.141 4.179 4.320 0.000 0.000 0.217 360 A C 2.286 179.776 177.584 -0.157 0.000 1.181 360 A CA 1.414 53.366 52.037 -0.142 0.000 0.623 360 A CB -0.523 18.419 19.000 -0.097 0.000 0.818 360 A HN 0.387 nan 8.150 nan 0.000 0.443 361 N N 0.050 118.624 118.700 -0.210 0.000 2.216 361 N HA -0.033 4.707 4.740 0.000 0.000 0.183 361 N C 1.677 177.062 175.510 -0.208 0.000 1.017 361 N CA 1.128 54.078 53.050 -0.166 0.000 0.861 361 N CB -0.413 37.989 38.487 -0.143 0.000 0.986 361 N HN 0.497 nan 8.380 nan 0.000 0.428 362 L N 0.724 121.707 121.223 -0.400 0.000 2.056 362 L HA -0.064 4.276 4.340 0.000 0.000 0.207 362 L C 2.453 179.063 176.870 -0.433 0.000 1.078 362 L CA 1.016 55.475 54.840 -0.635 0.000 0.749 362 L CB -0.515 40.629 42.059 -1.525 0.000 0.901 362 L HN 0.086 nan 8.230 nan 0.000 0.433 363 A N -0.218 122.433 122.820 -0.281 0.000 1.908 363 A HA -0.164 4.156 4.320 0.000 0.000 0.218 363 A C 2.321 180.029 177.584 0.207 0.000 1.181 363 A CA 1.923 54.043 52.037 0.138 0.000 0.627 363 A CB -0.841 18.183 19.000 0.041 0.000 0.818 363 A HN 0.210 nan 8.150 nan 0.000 0.445 364 V N -0.089 119.841 119.914 0.027 0.000 2.358 364 V HA -0.222 3.898 4.120 0.000 0.000 0.246 364 V C 2.593 178.634 176.094 -0.089 0.000 1.047 364 V CA 1.908 64.192 62.300 -0.026 0.000 1.035 364 V CB -0.688 31.086 31.823 -0.082 0.000 0.658 364 V HN 0.540 nan 8.190 nan 0.000 0.452 365 Q N -0.104 119.648 119.800 -0.080 0.000 2.297 365 Q HA -0.030 4.310 4.340 0.000 0.000 0.204 365 Q C 1.710 177.707 176.000 -0.006 0.000 0.962 365 Q CA 0.863 56.612 55.803 -0.090 0.000 0.879 365 Q CB -0.288 28.408 28.738 -0.070 0.000 0.947 365 Q HN 0.655 nan 8.270 nan 0.000 0.462 366 N N -0.092 118.680 118.700 0.119 0.000 2.282 366 N HA 0.113 4.853 4.740 0.000 0.000 0.185 366 N C 0.130 175.726 175.510 0.143 0.000 1.099 366 N CA 0.158 53.336 53.050 0.214 0.000 0.878 366 N CB 0.534 39.311 38.487 0.483 0.000 0.993 366 N HN 0.033 nan 8.380 nan 0.000 0.481 367 A N 1.714 124.624 122.820 0.150 0.000 2.483 367 A HA 0.046 4.366 4.320 0.000 0.000 0.238 367 A C 1.076 178.606 177.584 -0.090 0.000 1.070 367 A CA 0.006 52.050 52.037 0.012 0.000 0.770 367 A CB 0.286 19.366 19.000 0.132 0.000 1.008 367 A HN 0.272 nan 8.150 nan 0.000 0.497 368 D N 0.482 120.782 120.400 -0.167 0.000 2.366 368 D HA 0.107 4.747 4.640 0.000 0.000 0.205 368 D C -0.024 176.233 176.300 -0.072 0.000 1.022 368 D CA 0.246 54.173 54.000 -0.122 0.000 0.868 368 D CB 0.129 40.837 40.800 -0.155 0.000 0.953 368 D HN 0.284 nan 8.370 nan 0.000 0.514 369 L N 0.853 122.044 121.223 -0.052 0.000 2.528 369 L HA 0.443 4.783 4.340 0.000 0.000 0.267 369 L C -1.743 175.160 176.870 0.056 0.000 0.961 369 L CA -0.680 54.163 54.840 0.005 0.000 0.866 369 L CB 2.020 44.082 42.059 0.005 0.000 1.248 369 L HN -0.128 nan 8.230 nan 0.000 0.404 370 I N 6.171 126.794 120.570 0.088 0.000 2.354 370 I HA 0.406 4.577 4.170 0.000 0.000 0.292 370 I C -0.414 175.827 176.117 0.206 0.000 0.989 370 I CA -0.455 60.932 61.300 0.145 0.000 1.188 370 I CB 1.577 39.666 38.000 0.149 0.000 1.342 370 I HN 0.509 nan 8.210 nan 0.000 0.457 371 I N 6.557 127.252 120.570 0.207 0.000 2.361 371 I HA 0.344 4.514 4.170 0.000 0.000 0.282 371 I C 0.571 176.833 176.117 0.242 0.000 1.075 371 I CA -0.405 61.036 61.300 0.235 0.000 1.205 371 I CB 0.880 38.977 38.000 0.161 0.000 1.406 371 I HN 0.566 nan 8.210 nan 0.000 0.481 372 A N 6.367 129.390 122.820 0.338 0.000 2.444 372 A HA 0.512 4.832 4.320 0.000 0.000 0.273 372 A C -0.029 177.701 177.584 0.243 0.000 1.136 372 A CA -0.110 52.063 52.037 0.227 0.000 0.799 372 A CB 0.114 19.300 19.000 0.310 0.000 1.081 372 A HN 0.478 nan 8.150 nan 0.000 0.509 373 V N 2.618 122.514 119.914 -0.030 0.000 2.349 373 V HA 0.585 4.705 4.120 0.000 0.000 0.284 373 V C 1.003 177.050 176.094 -0.079 0.000 1.014 373 V CA 0.240 62.527 62.300 -0.022 0.000 0.826 373 V CB 0.628 32.345 31.823 -0.177 0.000 1.009 373 V HN 1.818 nan 8.190 nan 0.000 0.431 374 G N 3.823 112.644 108.800 0.036 0.000 2.314 374 G HA2 0.103 4.063 3.960 0.000 0.000 0.292 374 G HA3 0.103 4.063 3.960 0.000 0.000 0.292 374 G C 0.092 174.940 174.900 -0.086 0.000 1.059 374 G CA 0.448 45.545 45.100 -0.006 0.000 0.982 374 G HN 1.632 nan 8.290 nan 0.000 0.505 375 A N -0.330 122.438 122.820 -0.087 0.000 2.475 375 A HA 0.881 5.201 4.320 0.000 0.000 0.301 375 A C 0.691 178.319 177.584 0.074 0.000 1.059 375 A CA -0.073 51.818 52.037 -0.244 0.000 0.710 375 A CB 0.954 19.351 19.000 -1.004 0.000 1.288 375 A HN 1.106 nan 8.150 nan 0.000 0.408 376 R N 0.866 121.433 120.500 0.111 0.000 2.507 376 R HA 0.382 4.722 4.340 0.000 0.000 0.298 376 R C -1.078 175.460 176.300 0.397 0.000 0.999 376 R CA -0.183 56.093 56.100 0.293 0.000 1.082 376 R CB -0.552 29.841 30.300 0.156 0.000 1.246 376 R HN 0.580 nan 8.270 nan 0.000 0.553 377 F N 3.033 123.051 119.950 0.113 0.000 2.943 377 F HA -0.277 4.250 4.527 0.000 0.000 0.258 377 F C 0.229 175.984 175.800 -0.074 0.000 0.995 377 F CA 1.068 59.067 58.000 -0.001 0.000 0.896 377 F CB -1.809 37.129 39.000 -0.103 0.000 0.821 377 F HN 0.467 nan 8.300 nan 0.000 0.828 378 D N 0.616 121.061 120.400 0.075 0.000 2.363 378 D HA 0.059 4.699 4.640 0.000 0.000 0.240 378 D C 1.068 177.349 176.300 -0.031 0.000 1.236 378 D CA 0.302 54.315 54.000 0.020 0.000 0.927 378 D CB 0.686 41.489 40.800 0.005 0.000 1.150 378 D HN 0.402 nan 8.370 nan 0.000 0.458 379 D N -0.896 119.484 120.400 -0.033 0.000 2.378 379 D HA -0.129 4.511 4.640 0.000 0.000 0.227 379 D C 1.208 177.482 176.300 -0.043 0.000 1.012 379 D CA 0.378 54.351 54.000 -0.046 0.000 0.905 379 D CB 0.038 40.818 40.800 -0.033 0.000 0.895 379 D HN 0.125 nan 8.370 nan 0.000 0.532 380 R N 0.033 120.510 120.500 -0.037 0.000 2.280 380 R HA 0.208 4.548 4.340 0.000 0.000 0.195 380 R C 1.379 177.656 176.300 -0.038 0.000 0.935 380 R CA 0.168 56.253 56.100 -0.025 0.000 1.033 380 R CB 0.238 30.529 30.300 -0.014 0.000 0.964 380 R HN 0.275 nan 8.270 nan 0.000 0.489 381 V N 0.050 119.922 119.914 -0.070 0.000 2.908 381 V HA -0.071 4.049 4.120 0.000 0.000 0.240 381 V C 2.245 178.230 176.094 -0.182 0.000 1.117 381 V CA 1.776 64.013 62.300 -0.106 0.000 1.133 381 V CB 0.115 31.874 31.823 -0.106 0.000 0.857 381 V HN 0.321 nan 8.190 nan 0.000 0.478 382 T N -1.872 112.511 114.554 -0.284 0.000 2.985 382 T HA 0.297 4.647 4.350 0.000 0.000 0.266 382 T C 1.351 175.970 174.700 -0.135 0.000 1.076 382 T CA 1.118 62.935 62.100 -0.472 0.000 1.135 382 T CB -0.071 68.372 68.868 -0.708 0.000 0.890 382 T HN 1.084 nan 8.240 nan 0.000 0.480 383 G N 2.105 110.860 108.800 -0.075 0.000 2.553 383 G HA2 -0.270 3.690 3.960 0.000 0.000 0.242 383 G HA3 -0.270 3.690 3.960 0.000 0.000 0.242 383 G C -0.338 174.564 174.900 0.002 0.000 1.277 383 G CA -0.195 44.901 45.100 -0.006 0.000 0.910 383 G HN 0.747 nan 8.290 nan 0.000 0.576 384 N N 1.312 120.030 118.700 0.031 0.000 2.423 384 N HA 0.111 4.851 4.740 0.000 0.000 0.275 384 N C 2.017 177.564 175.510 0.062 0.000 1.283 384 N CA 0.585 53.655 53.050 0.033 0.000 0.932 384 N CB -0.030 38.477 38.487 0.033 0.000 1.185 384 N HN 0.491 nan 8.380 nan 0.000 0.483 385 I N 2.003 122.593 120.570 0.033 0.000 2.248 385 I HA -0.349 3.821 4.170 0.000 0.000 0.248 385 I C 1.993 178.180 176.117 0.116 0.000 1.107 385 I CA 0.959 62.292 61.300 0.055 0.000 1.373 385 I CB -0.178 37.824 38.000 0.004 0.000 1.055 385 I HN 0.463 nan 8.210 nan 0.000 0.418 386 S N 0.474 116.218 115.700 0.074 0.000 2.402 386 S HA -0.127 4.343 4.470 0.000 0.000 0.229 386 S C 1.639 176.285 174.600 0.075 0.000 1.021 386 S CA 1.174 59.412 58.200 0.064 0.000 0.974 386 S CB -0.138 63.084 63.200 0.036 0.000 0.800 386 S HN 0.473 nan 8.310 nan 0.000 0.484 387 K N 0.274 120.726 120.400 0.087 0.000 2.387 387 K HA 0.189 4.509 4.320 0.000 0.000 0.198 387 K C -0.228 176.438 176.600 0.110 0.000 1.022 387 K CA -0.296 56.034 56.287 0.072 0.000 1.128 387 K CB 0.079 32.608 32.500 0.048 0.000 0.853 387 K HN 0.244 nan 8.250 nan 0.000 0.523 388 F N 2.472 122.421 119.950 -0.002 0.000 2.456 388 F HA 0.248 4.775 4.527 0.000 0.000 0.358 388 F C 0.520 176.324 175.800 0.007 0.000 1.095 388 F CA -0.790 57.210 58.000 -0.000 0.000 1.216 388 F CB 0.409 39.416 39.000 0.013 0.000 1.125 388 F HN 0.252 nan 8.300 nan 0.000 0.549 389 A N 5.706 128.026 122.820 -0.833 0.000 2.251 389 A HA -0.202 4.118 4.320 0.000 0.000 0.283 389 A C -2.072 175.350 177.584 -0.270 0.000 1.415 389 A CA 0.452 52.097 52.037 -0.654 0.000 0.742 389 A CB -1.956 16.498 19.000 -0.910 0.000 1.151 389 A HN 0.691 nan 8.150 nan 0.000 0.354 390 P HA -0.130 nan 4.420 nan 0.000 0.215 390 P C 1.521 178.783 177.300 -0.064 0.000 1.157 390 P CA 1.277 64.332 63.100 -0.075 0.000 0.863 390 P CB 0.172 31.846 31.700 -0.043 0.000 0.787 391 E N -0.482 119.680 120.200 -0.063 0.000 2.153 391 E HA -0.107 4.243 4.350 0.000 0.000 0.194 391 E C 2.020 178.582 176.600 -0.062 0.000 0.988 391 E CA 1.309 57.680 56.400 -0.049 0.000 0.811 391 E CB -0.744 28.936 29.700 -0.033 0.000 0.746 391 E HN 0.157 nan 8.360 nan 0.000 0.466 392 A N 1.274 124.042 122.820 -0.086 0.000 1.968 392 A HA -0.117 4.203 4.320 0.000 0.000 0.217 392 A C 2.465 180.019 177.584 -0.050 0.000 1.169 392 A CA 1.962 53.957 52.037 -0.071 0.000 0.638 392 A CB -0.597 18.349 19.000 -0.090 0.000 0.812 392 A HN 0.279 nan 8.150 nan 0.000 0.446 393 R N 0.104 120.571 120.500 -0.056 0.000 2.090 393 R HA 0.015 4.355 4.340 0.000 0.000 0.228 393 R C 2.278 178.564 176.300 -0.023 0.000 1.110 393 R CA 1.682 57.763 56.100 -0.032 0.000 0.973 393 R CB -0.930 29.353 30.300 -0.028 0.000 0.869 393 R HN 0.661 nan 8.270 nan 0.000 0.440 394 R N -0.365 120.118 120.500 -0.028 0.000 2.090 394 R HA 0.077 4.417 4.340 0.000 0.000 0.228 394 R C 2.543 178.830 176.300 -0.022 0.000 1.110 394 R CA 1.254 57.342 56.100 -0.021 0.000 0.973 394 R CB -0.344 29.944 30.300 -0.020 0.000 0.869 394 R HN 0.475 nan 8.270 nan 0.000 0.440 395 A N 0.224 123.026 122.820 -0.030 0.000 2.067 395 A HA -0.013 4.307 4.320 0.000 0.000 0.219 395 A C 2.129 179.700 177.584 -0.021 0.000 1.158 395 A CA 1.423 53.441 52.037 -0.031 0.000 0.661 395 A CB -0.372 18.602 19.000 -0.043 0.000 0.801 395 A HN 0.488 nan 8.150 nan 0.000 0.452 396 A N -0.459 122.351 122.820 -0.017 0.000 1.975 396 A HA 0.389 4.709 4.320 0.000 0.000 0.215 396 A C 2.340 179.920 177.584 -0.007 0.000 1.170 396 A CA 1.324 53.356 52.037 -0.009 0.000 0.656 396 A CB -0.657 18.340 19.000 -0.006 0.000 0.821 396 A HN 0.895 nan 8.150 nan 0.000 0.449 397 A N -0.095 122.719 122.820 -0.009 0.000 2.014 397 A HA -0.049 4.271 4.320 0.000 0.000 0.218 397 A C 1.591 179.172 177.584 -0.006 0.000 1.163 397 A CA 1.340 53.373 52.037 -0.006 0.000 0.652 397 A CB -0.268 18.728 19.000 -0.007 0.000 0.808 397 A HN 0.578 nan 8.150 nan 0.000 0.449 398 E N -1.118 119.076 120.200 -0.009 0.000 2.465 398 E HA 0.297 4.647 4.350 0.000 0.000 0.195 398 E C 0.878 177.473 176.600 -0.008 0.000 1.028 398 E CA 0.089 56.484 56.400 -0.009 0.000 0.899 398 E CB 0.022 29.715 29.700 -0.012 0.000 1.032 398 E HN 0.611 nan 8.360 nan 0.000 0.468 399 G N 3.051 111.847 108.800 -0.007 0.000 2.296 399 G HA2 -0.368 3.592 3.960 0.000 0.000 0.282 399 G HA3 -0.368 3.592 3.960 0.000 0.000 0.282 399 G C 0.783 175.678 174.900 -0.008 0.000 1.014 399 G CA 1.120 46.216 45.100 -0.005 0.000 0.812 399 G HN 0.459 nan 8.290 nan 0.000 0.508 400 R N -1.077 119.416 120.500 -0.012 0.000 2.543 400 R HA 0.562 4.902 4.340 0.000 0.000 0.323 400 R C 0.915 177.202 176.300 -0.021 0.000 1.002 400 R CA 0.427 56.517 56.100 -0.016 0.000 1.106 400 R CB 0.609 30.897 30.300 -0.020 0.000 1.280 400 R HN 1.034 nan 8.270 nan 0.000 0.549 401 G N -0.931 107.859 108.800 -0.017 0.000 2.435 401 G HA2 0.460 4.420 3.960 0.000 0.000 0.228 401 G HA3 0.460 4.420 3.960 0.000 0.000 0.228 401 G C -0.404 174.494 174.900 -0.004 0.000 1.198 401 G CA -0.136 44.954 45.100 -0.015 0.000 0.948 401 G HN 0.476 nan 8.290 nan 0.000 0.487 402 G N -1.080 107.719 108.800 -0.002 0.000 2.317 402 G HA2 0.279 4.239 3.960 0.000 0.000 0.196 402 G HA3 0.279 4.239 3.960 0.000 0.000 0.196 402 G C -1.196 173.728 174.900 0.041 0.000 1.255 402 G CA -0.118 44.988 45.100 0.010 0.000 1.243 402 G HN 1.272 nan 8.290 nan 0.000 0.535 403 I N 1.201 121.809 120.570 0.064 0.000 2.466 403 I HA 0.520 4.690 4.170 0.000 0.000 0.289 403 I C -0.355 175.842 176.117 0.134 0.000 1.026 403 I CA -0.660 60.715 61.300 0.125 0.000 1.078 403 I CB 1.887 39.974 38.000 0.144 0.000 1.249 403 I HN 0.370 nan 8.210 nan 0.000 0.429 404 I N 5.310 125.992 120.570 0.187 0.000 2.377 404 I HA 0.324 4.494 4.170 0.000 0.000 0.293 404 I C -0.348 175.960 176.117 0.318 0.000 0.987 404 I CA -0.445 60.963 61.300 0.180 0.000 1.185 404 I CB 1.388 39.504 38.000 0.193 0.000 1.341 404 I HN 0.574 nan 8.210 nan 0.000 0.455 405 H N 6.370 125.498 119.070 0.097 0.000 2.708 405 H HA 0.367 4.923 4.556 0.000 0.000 0.320 405 H C -1.335 174.016 175.328 0.038 0.000 0.991 405 H CA -0.816 55.340 56.048 0.180 0.000 1.243 405 H CB 1.058 30.918 29.762 0.164 0.000 1.446 405 H HN 0.399 nan 8.280 nan 0.000 0.502 406 F N 3.892 123.961 119.950 0.199 0.000 2.406 406 F HA 0.135 4.662 4.527 0.000 0.000 0.358 406 F C 0.292 176.033 175.800 -0.099 0.000 1.161 406 F CA -0.405 57.605 58.000 0.016 0.000 1.185 406 F CB 0.496 39.514 39.000 0.030 0.000 1.421 406 F HN 0.539 nan 8.300 nan 0.000 0.576 407 E N 1.671 121.756 120.200 -0.193 0.000 2.199 407 E HA 0.329 4.679 4.350 0.000 0.000 0.269 407 E C 0.015 176.549 176.600 -0.111 0.000 0.899 407 E CA -0.430 55.819 56.400 -0.251 0.000 0.772 407 E CB 1.986 31.330 29.700 -0.593 0.000 1.155 407 E HN 0.251 nan 8.360 nan 0.000 0.408 408 V N 3.090 122.973 119.914 -0.052 0.000 2.788 408 V HA 0.135 4.255 4.120 0.000 0.000 0.251 408 V C 0.467 176.542 176.094 -0.032 0.000 1.068 408 V CA 1.392 63.678 62.300 -0.024 0.000 1.090 408 V CB 0.275 32.098 31.823 -0.001 0.000 0.710 408 V HN 0.568 nan 8.190 nan 0.000 0.467 409 S N -0.040 115.633 115.700 -0.044 0.000 2.420 409 S HA 0.414 4.884 4.470 0.000 0.000 0.313 409 S C -1.439 173.138 174.600 -0.037 0.000 1.079 409 S CA -1.246 56.933 58.200 -0.035 0.000 1.104 409 S CB 1.462 64.641 63.200 -0.034 0.000 0.969 409 S HN 0.239 nan 8.310 nan 0.000 0.471 410 P HA -0.095 nan 4.420 nan 0.000 0.216 410 P C 1.650 178.944 177.300 -0.010 0.000 1.150 410 P CA 1.627 64.717 63.100 -0.018 0.000 0.843 410 P CB 0.070 31.766 31.700 -0.007 0.000 0.787 411 K N -0.488 119.909 120.400 -0.005 0.000 2.280 411 K HA -0.114 4.206 4.320 0.000 0.000 0.202 411 K C 1.652 178.260 176.600 0.013 0.000 1.047 411 K CA 1.593 57.883 56.287 0.005 0.000 0.942 411 K CB -1.511 30.994 32.500 0.009 0.000 0.739 411 K HN 0.166 nan 8.250 nan 0.000 0.457 412 N N -0.110 118.598 118.700 0.013 0.000 2.268 412 N HA 0.226 4.966 4.740 0.000 0.000 0.204 412 N C -0.667 174.893 175.510 0.084 0.000 1.124 412 N CA -0.046 53.036 53.050 0.054 0.000 0.838 412 N CB 0.148 38.676 38.487 0.068 0.000 0.994 412 N HN 0.494 nan 8.380 nan 0.000 0.489 413 I N 0.949 121.537 120.570 0.030 0.000 2.321 413 I HA 0.137 4.307 4.170 0.000 0.000 0.291 413 I C 0.045 176.184 176.117 0.038 0.000 0.998 413 I CA -0.472 60.854 61.300 0.043 0.000 1.227 413 I CB 0.713 38.705 38.000 -0.013 0.000 1.368 413 I HN -0.000 nan 8.210 nan 0.000 0.466 414 N N 4.344 123.064 118.700 0.032 0.000 2.747 414 N HA -0.204 4.536 4.740 0.000 0.000 0.249 414 N C 0.912 176.407 175.510 -0.026 0.000 1.107 414 N CA 0.914 53.951 53.050 -0.021 0.000 0.707 414 N CB -0.703 37.782 38.487 -0.005 0.000 1.054 414 N HN 0.703 nan 8.380 nan 0.000 0.555 415 K N 0.136 120.524 120.400 -0.021 0.000 2.202 415 K HA 0.107 4.427 4.320 0.000 0.000 0.201 415 K C 1.566 178.147 176.600 -0.032 0.000 1.051 415 K CA 1.027 57.307 56.287 -0.011 0.000 0.977 415 K CB 0.424 32.934 32.500 0.018 0.000 0.792 415 K HN 0.063 nan 8.250 nan 0.000 0.469 416 V N 0.179 120.049 119.914 -0.074 0.000 2.490 416 V HA 0.093 4.213 4.120 0.000 0.000 0.238 416 V C 0.791 176.813 176.094 -0.120 0.000 1.056 416 V CA 0.379 62.626 62.300 -0.090 0.000 1.075 416 V CB 1.117 32.889 31.823 -0.085 0.000 0.746 416 V HN 0.114 nan 8.190 nan 0.000 0.479 417 V N 0.272 120.052 119.914 -0.223 0.000 2.823 417 V HA 0.570 4.690 4.120 0.000 0.000 0.312 417 V C -0.783 175.216 176.094 -0.158 0.000 1.072 417 V CA -0.759 61.446 62.300 -0.157 0.000 0.937 417 V CB 2.003 33.755 31.823 -0.118 0.000 1.013 417 V HN 0.525 nan 8.190 nan 0.000 0.430 418 Q N 3.439 123.196 119.800 -0.071 0.000 2.289 418 Q HA 0.404 4.744 4.340 0.000 0.000 0.273 418 Q C -0.014 175.959 176.000 -0.044 0.000 1.029 418 Q CA 0.561 56.336 55.803 -0.047 0.000 0.896 418 Q CB 0.878 29.605 28.738 -0.019 0.000 1.182 418 Q HN 1.031 nan 8.270 nan 0.000 0.385 419 T N 1.234 115.769 114.554 -0.032 0.000 2.943 419 T HA 0.366 4.716 4.350 0.000 0.000 0.284 419 T C 0.438 175.148 174.700 0.016 0.000 1.015 419 T CA -0.718 61.380 62.100 -0.002 0.000 1.042 419 T CB 1.374 70.261 68.868 0.031 0.000 1.055 419 T HN 0.524 nan 8.240 nan 0.000 0.500 420 Q N 0.330 120.144 119.800 0.024 0.000 2.165 420 Q HA 0.446 4.786 4.340 0.000 0.000 0.197 420 Q C 0.069 176.073 176.000 0.007 0.000 0.952 420 Q CA 1.049 56.861 55.803 0.016 0.000 0.848 420 Q CB 0.069 28.816 28.738 0.015 0.000 0.931 420 Q HN 0.738 nan 8.270 nan 0.000 0.470 421 I N -0.031 120.540 120.570 0.002 0.000 2.582 421 I HA 0.630 4.801 4.170 0.000 0.000 0.292 421 I C -1.262 174.817 176.117 -0.063 0.000 1.066 421 I CA -1.260 60.011 61.300 -0.048 0.000 1.053 421 I CB 2.253 40.207 38.000 -0.076 0.000 1.241 421 I HN -0.136 nan 8.210 nan 0.000 0.421 422 A N 5.879 128.630 122.820 -0.115 0.000 2.319 422 A HA 0.756 5.076 4.320 0.000 0.000 0.310 422 A C -0.894 176.525 177.584 -0.276 0.000 1.152 422 A CA -0.494 51.462 52.037 -0.135 0.000 0.783 422 A CB 1.343 20.323 19.000 -0.034 0.000 1.184 422 A HN 0.425 nan 8.150 nan 0.000 0.474 423 V N 3.772 123.440 119.914 -0.410 0.000 2.275 423 V HA 0.204 4.324 4.120 0.000 0.000 0.272 423 V C 0.211 176.140 176.094 -0.275 0.000 1.028 423 V CA -0.424 61.596 62.300 -0.467 0.000 0.810 423 V CB 0.429 31.702 31.823 -0.917 0.000 1.043 423 V HN 0.963 nan 8.190 nan 0.000 0.453 424 E N 2.862 122.970 120.200 -0.154 0.000 2.383 424 E HA 0.553 4.903 4.350 0.000 0.000 0.264 424 E C 0.769 177.347 176.600 -0.036 0.000 1.050 424 E CA 0.756 57.113 56.400 -0.072 0.000 0.896 424 E CB 1.220 30.916 29.700 -0.007 0.000 0.982 424 E HN 0.971 nan 8.360 nan 0.000 0.424 425 G N 2.374 111.167 108.800 -0.011 0.000 2.498 425 G HA2 -0.198 3.762 3.960 0.000 0.000 0.651 425 G HA3 -0.198 3.762 3.960 0.000 0.000 0.651 425 G C -1.007 173.918 174.900 0.042 0.000 1.284 425 G CA -0.589 44.521 45.100 0.017 0.000 0.950 425 G HN 0.673 nan 8.290 nan 0.000 0.511 426 D N 0.508 120.941 120.400 0.056 0.000 2.493 426 D HA 0.536 5.176 4.640 0.000 0.000 0.240 426 D C 1.465 177.817 176.300 0.087 0.000 1.142 426 D CA 1.329 55.373 54.000 0.073 0.000 0.872 426 D CB 1.115 41.972 40.800 0.094 0.000 1.173 426 D HN 1.078 nan 8.370 nan 0.000 0.467 427 A N 3.246 126.119 122.820 0.088 0.000 1.858 427 A HA -0.171 4.149 4.320 0.000 0.000 0.216 427 A C 2.170 179.744 177.584 -0.017 0.000 1.190 427 A CA 1.936 54.032 52.037 0.097 0.000 0.617 427 A CB -0.977 18.046 19.000 0.039 0.000 0.827 427 A HN 0.696 nan 8.150 nan 0.000 0.443 428 T N -0.048 114.453 114.554 -0.088 0.000 2.665 428 T HA -0.170 4.180 4.350 0.000 0.000 0.268 428 T C 2.004 176.574 174.700 -0.217 0.000 1.035 428 T CA 2.115 64.078 62.100 -0.227 0.000 1.151 428 T CB -0.705 67.869 68.868 -0.489 0.000 0.862 428 T HN 0.563 nan 8.240 nan 0.000 0.438 429 T N 2.437 116.900 114.554 -0.153 0.000 2.708 429 T HA -0.105 4.245 4.350 0.000 0.000 0.266 429 T C 2.028 176.727 174.700 -0.002 0.000 1.037 429 T CA 1.114 63.174 62.100 -0.066 0.000 1.146 429 T CB -0.371 68.504 68.868 0.012 0.000 0.865 429 T HN 0.336 nan 8.240 nan 0.000 0.435 430 N N 1.170 119.907 118.700 0.061 0.000 2.309 430 N HA 0.073 4.813 4.740 0.000 0.000 0.182 430 N C 1.806 177.406 175.510 0.151 0.000 1.018 430 N CA 0.593 53.727 53.050 0.141 0.000 0.876 430 N CB -0.385 38.260 38.487 0.263 0.000 0.972 430 N HN 0.358 nan 8.380 nan 0.000 0.434 431 L N 0.036 121.278 121.223 0.032 0.000 2.217 431 L HA -0.004 4.337 4.340 0.000 0.000 0.211 431 L C 2.254 179.102 176.870 -0.037 0.000 1.107 431 L CA 0.887 55.683 54.840 -0.074 0.000 0.783 431 L CB -0.512 41.420 42.059 -0.212 0.000 0.919 431 L HN 0.188 nan 8.230 nan 0.000 0.442 432 G N -0.208 108.572 108.800 -0.035 0.000 2.430 432 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 432 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 432 G C 1.607 176.507 174.900 0.000 0.000 1.146 432 G CA 0.081 45.166 45.100 -0.025 0.000 0.793 432 G HN 0.282 nan 8.290 nan 0.000 0.537 433 K N -0.536 119.873 120.400 0.015 0.000 2.459 433 K HA 0.272 4.592 4.320 0.000 0.000 0.193 433 K C 1.975 178.589 176.600 0.023 0.000 1.030 433 K CA 0.206 56.505 56.287 0.020 0.000 1.026 433 K CB 0.087 32.600 32.500 0.022 0.000 0.809 433 K HN 0.347 nan 8.250 nan 0.000 0.504 434 M N -0.148 119.473 119.600 0.035 0.000 2.514 434 M HA 0.055 4.535 4.480 0.000 0.000 0.258 434 M C 1.780 178.085 176.300 0.009 0.000 1.159 434 M CA 0.387 55.707 55.300 0.034 0.000 1.116 434 M CB 0.256 32.913 32.600 0.095 0.000 1.333 434 M HN 0.003 nan 8.290 nan 0.000 0.487 435 M N 0.985 120.588 119.600 0.006 0.000 2.088 435 M HA -0.243 4.237 4.480 0.000 0.000 0.256 435 M C 2.325 178.629 176.300 0.007 0.000 1.071 435 M CA 2.794 58.095 55.300 0.002 0.000 1.097 435 M CB -0.603 31.999 32.600 0.003 0.000 1.315 435 M HN 0.524 nan 8.290 nan 0.000 0.406 436 S N -0.611 115.097 115.700 0.013 0.000 2.383 436 S HA -0.206 4.264 4.470 0.000 0.000 0.229 436 S C 1.676 176.287 174.600 0.018 0.000 1.030 436 S CA 1.561 59.777 58.200 0.025 0.000 1.002 436 S CB -0.909 62.307 63.200 0.027 0.000 0.829 436 S HN 0.640 nan 8.310 nan 0.000 0.467 437 K N 1.015 121.404 120.400 -0.019 0.000 2.632 437 K HA 0.211 4.531 4.320 0.000 0.000 0.196 437 K C -0.398 176.077 176.600 -0.208 0.000 1.023 437 K CA 0.118 56.357 56.287 -0.080 0.000 1.098 437 K CB -0.188 32.266 32.500 -0.076 0.000 0.862 437 K HN 0.410 nan 8.250 nan 0.000 0.504 438 I N 1.488 121.981 120.570 -0.129 0.000 2.362 438 I HA 0.216 4.386 4.170 0.000 0.000 0.289 438 I C -0.203 175.909 176.117 -0.008 0.000 0.994 438 I CA -1.031 60.170 61.300 -0.164 0.000 1.158 438 I CB 0.702 38.670 38.000 -0.054 0.000 1.315 438 I HN -0.134 nan 8.210 nan 0.000 0.451 439 F N 6.584 126.546 119.950 0.020 0.000 2.467 439 F HA 0.318 4.845 4.527 0.000 0.000 0.362 439 F C -1.708 174.102 175.800 0.017 0.000 1.090 439 F CA -3.032 54.977 58.000 0.015 0.000 1.202 439 F CB -0.369 38.638 39.000 0.011 0.000 1.113 439 F HN 0.205 nan 8.300 nan 0.000 0.541 440 P HA 0.042 nan 4.420 nan 0.000 0.263 440 P C -0.468 176.888 177.300 0.095 0.000 1.276 440 P CA 0.035 63.205 63.100 0.116 0.000 0.986 440 P CB 0.153 31.903 31.700 0.083 0.000 1.105 441 V N 3.491 123.458 119.914 0.088 0.000 2.446 441 V HA 0.119 4.239 4.120 0.000 0.000 0.276 441 V C 1.742 177.847 176.094 0.019 0.000 1.030 441 V CA 0.731 63.065 62.300 0.057 0.000 1.033 441 V CB 0.051 31.907 31.823 0.056 0.000 0.993 441 V HN 0.503 nan 8.190 nan 0.000 0.477 442 K N 3.969 124.369 120.400 -0.000 0.000 2.426 442 K HA 0.212 4.532 4.320 0.000 0.000 0.193 442 K C 0.554 177.116 176.600 -0.064 0.000 1.028 442 K CA 1.111 57.385 56.287 -0.021 0.000 1.047 442 K CB -0.038 32.454 32.500 -0.014 0.000 0.821 442 K HN 0.998 nan 8.250 nan 0.000 0.513 443 E N -2.355 117.791 120.200 -0.090 0.000 2.388 443 E HA 0.522 4.872 4.350 0.000 0.000 0.280 443 E C -1.020 175.469 176.600 -0.184 0.000 1.019 443 E CA -0.968 55.335 56.400 -0.162 0.000 0.806 443 E CB 1.279 30.916 29.700 -0.106 0.000 1.246 443 E HN 0.051 nan 8.360 nan 0.000 0.443 444 R N 1.891 122.202 120.500 -0.314 0.000 2.640 444 R HA 0.240 4.580 4.340 0.000 0.000 0.240 444 R C -0.164 176.060 176.300 -0.127 0.000 1.519 444 R CA -0.082 55.904 56.100 -0.190 0.000 1.570 444 R CB 0.816 31.018 30.300 -0.163 0.000 1.446 444 R HN 0.611 nan 8.270 nan 0.000 0.738 445 S N 1.279 116.942 115.700 -0.063 0.000 2.351 445 S HA -0.266 4.204 4.470 0.000 0.000 0.220 445 S C 2.420 177.082 174.600 0.103 0.000 1.035 445 S CA 2.212 60.419 58.200 0.011 0.000 1.031 445 S CB 0.079 63.278 63.200 -0.002 0.000 0.928 445 S HN 0.738 nan 8.310 nan 0.000 0.433 446 E N 0.969 121.234 120.200 0.109 0.000 2.070 446 E HA -0.244 4.106 4.350 0.000 0.000 0.197 446 E C 1.688 178.450 176.600 0.270 0.000 1.004 446 E CA 1.673 58.156 56.400 0.138 0.000 0.805 446 E CB -1.483 28.280 29.700 0.106 0.000 0.744 446 E HN 0.812 nan 8.360 nan 0.000 0.451 447 W N -0.906 120.445 121.300 0.085 0.000 2.353 447 W HA -0.139 4.521 4.660 0.000 0.000 0.319 447 W C 2.093 178.735 176.519 0.205 0.000 1.207 447 W CA 1.123 58.557 57.345 0.149 0.000 1.291 447 W CB -0.175 29.431 29.460 0.243 0.000 1.159 447 W HN 0.318 nan 8.180 nan 0.000 0.478 448 F N 0.915 120.884 119.950 0.032 0.000 2.269 448 F HA -0.162 4.365 4.527 0.000 0.000 0.301 448 F C 2.560 178.268 175.800 -0.153 0.000 1.082 448 F CA 1.482 59.404 58.000 -0.130 0.000 1.360 448 F CB -1.558 37.420 39.000 -0.036 0.000 1.041 448 F HN -0.082 nan 8.300 nan 0.000 0.512 449 A N -0.503 122.370 122.820 0.090 0.000 1.855 449 A HA -0.243 4.077 4.320 0.000 0.000 0.215 449 A C 2.153 179.628 177.584 -0.182 0.000 1.191 449 A CA 1.721 53.742 52.037 -0.027 0.000 0.613 449 A CB -0.860 18.139 19.000 -0.001 0.000 0.829 449 A HN 0.331 nan 8.150 nan 0.000 0.442 450 Q N 0.286 119.939 119.800 -0.245 0.000 2.050 450 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 450 Q C 1.758 177.198 176.000 -0.934 0.000 0.980 450 Q CA 2.037 57.496 55.803 -0.574 0.000 0.840 450 Q CB -0.534 27.917 28.738 -0.479 0.000 0.898 450 Q HN 0.678 nan 8.270 nan 0.000 0.424 451 I N 0.592 120.730 120.570 -0.719 0.000 2.163 451 I HA -0.307 3.863 4.170 0.000 0.000 0.243 451 I C 1.771 177.732 176.117 -0.259 0.000 1.085 451 I CA 1.322 62.331 61.300 -0.485 0.000 1.347 451 I CB -0.493 37.161 38.000 -0.577 0.000 1.044 451 I HN 0.302 nan 8.210 nan 0.000 0.408 452 N N 0.994 119.546 118.700 -0.248 0.000 2.364 452 N HA -0.199 4.541 4.740 0.000 0.000 0.183 452 N C 1.748 177.178 175.510 -0.133 0.000 1.022 452 N CA 0.935 53.898 53.050 -0.144 0.000 0.883 452 N CB -0.250 38.177 38.487 -0.100 0.000 0.965 452 N HN 0.464 nan 8.380 nan 0.000 0.438 453 K N 0.117 120.376 120.400 -0.235 0.000 2.057 453 K HA -0.118 4.203 4.320 0.000 0.000 0.206 453 K C 1.621 178.149 176.600 -0.120 0.000 1.050 453 K CA 0.909 57.059 56.287 -0.227 0.000 0.935 453 K CB -0.076 32.205 32.500 -0.366 0.000 0.715 453 K HN 0.107 nan 8.250 nan 0.000 0.439 454 W N 1.495 122.752 121.300 -0.071 0.000 2.388 454 W HA -0.031 4.629 4.660 0.000 0.000 0.294 454 W C 2.008 178.494 176.519 -0.055 0.000 1.212 454 W CA 0.626 57.952 57.345 -0.031 0.000 1.271 454 W CB -0.673 28.832 29.460 0.075 0.000 1.126 454 W HN 0.122 nan 8.180 nan 0.000 0.535 455 K N 0.888 121.375 120.400 0.144 0.000 2.113 455 K HA -0.215 4.105 4.320 0.000 0.000 0.208 455 K C 2.457 179.062 176.600 0.008 0.000 1.047 455 K CA 3.038 59.349 56.287 0.040 0.000 0.928 455 K CB -0.456 32.033 32.500 -0.018 0.000 0.716 455 K HN 0.060 nan 8.250 nan 0.000 0.446 456 K N 1.174 121.565 120.400 -0.016 0.000 2.167 456 K HA -0.088 4.232 4.320 0.000 0.000 0.203 456 K C 1.711 178.278 176.600 -0.056 0.000 1.052 456 K CA 1.589 57.855 56.287 -0.035 0.000 0.956 456 K CB -0.527 31.944 32.500 -0.048 0.000 0.735 456 K HN 0.672 nan 8.250 nan 0.000 0.451 457 E N -2.027 118.101 120.200 -0.120 0.000 2.340 457 E HA 0.004 4.354 4.350 0.000 0.000 0.194 457 E C -0.044 176.406 176.600 -0.250 0.000 0.996 457 E CA 0.044 56.284 56.400 -0.265 0.000 0.869 457 E CB 0.035 29.477 29.700 -0.430 0.000 0.835 457 E HN 0.689 nan 8.360 nan 0.000 0.493 458 Y N 2.537 122.878 120.300 0.069 0.000 2.553 458 Y HA 0.404 4.954 4.550 0.000 0.000 0.369 458 Y C -2.201 173.649 175.900 -0.084 0.000 0.964 458 Y CA -2.602 55.503 58.100 0.008 0.000 1.156 458 Y CB 0.968 39.404 38.460 -0.039 0.000 1.218 458 Y HN 0.115 nan 8.280 nan 0.000 0.630 459 P HA 0.102 nan 4.420 nan 0.000 0.283 459 P C -0.775 176.557 177.300 0.054 0.000 1.278 459 P CA -0.572 62.523 63.100 -0.009 0.000 0.834 459 P CB 1.272 32.995 31.700 0.039 0.000 1.150 460 Y N 0.142 120.506 120.300 0.108 0.000 2.525 460 Y HA 0.202 4.752 4.550 0.000 0.000 0.337 460 Y C 1.339 177.391 175.900 0.253 0.000 1.248 460 Y CA -0.715 57.475 58.100 0.150 0.000 1.882 460 Y CB -0.674 37.802 38.460 0.026 0.000 1.811 460 Y HN 0.316 nan 8.280 nan 0.000 0.434 461 A N 3.504 126.513 122.820 0.315 0.000 2.302 461 A HA 0.649 4.969 4.320 0.000 0.000 0.285 461 A C -0.884 176.578 177.584 -0.203 0.000 1.105 461 A CA -0.277 51.829 52.037 0.115 0.000 0.816 461 A CB 0.368 19.530 19.000 0.271 0.000 1.067 461 A HN 0.700 nan 8.150 nan 0.000 0.489 462 Y N -1.392 118.470 120.300 -0.730 0.000 2.713 462 Y HA 0.590 5.140 4.550 0.000 0.000 0.335 462 Y C -0.851 174.492 175.900 -0.928 0.000 1.222 462 Y CA -1.713 55.597 58.100 -1.317 0.000 1.061 462 Y CB 0.886 39.004 38.460 -0.571 0.000 1.314 462 Y HN 0.566 nan 8.280 nan 0.000 0.453 463 M N 3.060 122.398 119.600 -0.436 0.000 2.350 463 M HA 0.230 4.710 4.480 0.000 0.000 0.338 463 M C -0.648 175.686 176.300 0.055 0.000 1.559 463 M CA 0.542 55.873 55.300 0.051 0.000 1.217 463 M CB -0.398 32.348 32.600 0.243 0.000 1.808 463 M HN 0.681 nan 8.290 nan 0.000 0.458 464 E N 2.436 122.570 120.200 -0.110 0.000 2.371 464 E HA 0.135 4.485 4.350 0.000 0.000 0.257 464 E C -0.342 176.265 176.600 0.011 0.000 1.134 464 E CA -0.528 55.837 56.400 -0.057 0.000 0.919 464 E CB 0.565 30.151 29.700 -0.190 0.000 1.025 464 E HN 0.554 nan 8.360 nan 0.000 0.438 465 E N 0.694 120.904 120.200 0.017 0.000 2.436 465 E HA 0.043 4.393 4.350 0.000 0.000 0.262 465 E C -0.352 176.248 176.600 0.000 0.000 1.063 465 E CA 0.448 56.852 56.400 0.006 0.000 0.944 465 E CB 0.556 30.252 29.700 -0.006 0.000 0.950 465 E HN 0.441 nan 8.360 nan 0.000 0.444 466 T N -1.121 113.436 114.554 0.005 0.000 2.901 466 T HA 0.533 4.883 4.350 0.000 0.000 0.293 466 T C -2.693 172.008 174.700 0.002 0.000 1.084 466 T CA -2.392 59.710 62.100 0.004 0.000 1.008 466 T CB 1.575 70.449 68.868 0.011 0.000 1.170 466 T HN 0.189 nan 8.240 nan 0.000 0.509 467 P HA 0.219 nan 4.420 nan 0.000 0.260 467 P C 1.062 178.364 177.300 0.003 0.000 1.185 467 P CA 1.128 64.229 63.100 0.000 0.000 0.763 467 P CB 0.140 31.840 31.700 -0.000 0.000 0.776 468 G N 2.358 111.160 108.800 0.003 0.000 2.199 468 G HA2 -0.254 3.706 3.960 0.000 0.000 0.254 468 G HA3 -0.254 3.706 3.960 0.000 0.000 0.254 468 G C 0.349 175.254 174.900 0.009 0.000 0.982 468 G CA 0.359 45.462 45.100 0.005 0.000 0.632 468 G HN 0.884 nan 8.290 nan 0.000 0.529 469 S N -0.330 115.375 115.700 0.009 0.000 2.681 469 S HA 0.723 5.193 4.470 0.000 0.000 0.270 469 S C 0.434 175.038 174.600 0.006 0.000 1.209 469 S CA -0.216 57.992 58.200 0.013 0.000 0.988 469 S CB 1.717 64.927 63.200 0.017 0.000 1.006 469 S HN 0.460 nan 8.310 nan 0.000 0.558 470 K N 0.055 120.460 120.400 0.008 0.000 2.120 470 K HA 0.370 4.690 4.320 0.000 0.000 0.245 470 K C -0.163 176.425 176.600 -0.020 0.000 1.024 470 K CA -0.414 55.872 56.287 -0.002 0.000 0.906 470 K CB 0.268 32.772 32.500 0.005 0.000 1.051 470 K HN 0.546 nan 8.250 nan 0.000 0.491 471 I N 2.365 122.913 120.570 -0.036 0.000 2.588 471 I HA -0.006 4.164 4.170 0.000 0.000 0.283 471 I C 0.452 176.510 176.117 -0.099 0.000 1.119 471 I CA -0.106 61.157 61.300 -0.062 0.000 1.419 471 I CB 0.472 38.430 38.000 -0.069 0.000 1.394 471 I HN 0.222 nan 8.210 nan 0.000 0.562 472 K N 8.327 128.648 120.400 -0.132 0.000 2.205 472 K HA 0.252 4.572 4.320 0.000 0.000 0.279 472 K C -1.601 174.770 176.600 -0.382 0.000 1.027 472 K CA -1.989 54.154 56.287 -0.239 0.000 0.932 472 K CB 1.018 33.404 32.500 -0.189 0.000 1.032 472 K HN 0.285 nan 8.250 nan 0.000 0.466 473 P HA -0.184 nan 4.420 nan 0.000 0.215 473 P C 0.643 177.517 177.300 -0.710 0.000 1.153 473 P CA 1.503 64.254 63.100 -0.583 0.000 0.853 473 P CB 0.458 31.697 31.700 -0.770 0.000 0.788 474 Q N -0.370 118.725 119.800 -1.174 0.000 2.135 474 Q HA -0.106 4.234 4.340 0.000 0.000 0.204 474 Q C 2.361 177.852 176.000 -0.848 0.000 0.981 474 Q CA 2.279 57.308 55.803 -1.290 0.000 0.856 474 Q CB -1.599 25.788 28.738 -2.253 0.000 0.902 474 Q HN 0.255 nan 8.270 nan 0.000 0.425 475 T N 0.071 114.252 114.554 -0.621 0.000 2.746 475 T HA -0.122 4.228 4.350 0.000 0.000 0.267 475 T C 1.920 176.497 174.700 -0.205 0.000 1.039 475 T CA 1.373 63.316 62.100 -0.263 0.000 1.142 475 T CB -0.310 68.480 68.868 -0.131 0.000 0.866 475 T HN 0.069 nan 8.240 nan 0.000 0.444 476 V N 1.983 121.771 119.914 -0.210 0.000 2.332 476 V HA -0.155 3.965 4.120 0.000 0.000 0.248 476 V C 2.491 178.545 176.094 -0.067 0.000 1.055 476 V CA 1.210 63.437 62.300 -0.122 0.000 1.038 476 V CB -0.671 31.085 31.823 -0.113 0.000 0.651 476 V HN 0.440 nan 8.190 nan 0.000 0.450 477 I N 0.211 120.737 120.570 -0.073 0.000 2.179 477 I HA -0.208 3.962 4.170 0.000 0.000 0.242 477 I C 2.439 178.537 176.117 -0.032 0.000 1.088 477 I CA 1.726 63.063 61.300 0.062 0.000 1.357 477 I CB -1.223 36.850 38.000 0.122 0.000 1.051 477 I HN 0.399 nan 8.210 nan 0.000 0.409 478 K N 0.967 121.298 120.400 -0.114 0.000 2.026 478 K HA -0.172 4.148 4.320 0.000 0.000 0.208 478 K C 2.140 178.627 176.600 -0.188 0.000 1.048 478 K CA 1.285 57.483 56.287 -0.148 0.000 0.929 478 K CB -0.167 32.273 32.500 -0.101 0.000 0.713 478 K HN 0.306 nan 8.250 nan 0.000 0.439 479 K N 0.800 121.118 120.400 -0.136 0.000 2.002 479 K HA -0.137 4.183 4.320 0.000 0.000 0.209 479 K C 2.146 178.667 176.600 -0.132 0.000 1.048 479 K CA 1.022 57.238 56.287 -0.117 0.000 0.930 479 K CB -0.256 32.198 32.500 -0.077 0.000 0.714 479 K HN -0.003 nan 8.250 nan 0.000 0.438 480 L N 1.130 122.300 121.223 -0.089 0.000 2.083 480 L HA -0.169 4.172 4.340 0.000 0.000 0.209 480 L C 2.314 179.017 176.870 -0.280 0.000 1.083 480 L CA 1.673 56.496 54.840 -0.029 0.000 0.752 480 L CB -0.731 41.434 42.059 0.176 0.000 0.899 480 L HN 0.072 nan 8.230 nan 0.000 0.433 481 S N -1.034 114.255 115.700 -0.685 0.000 2.370 481 S HA -0.221 4.249 4.470 0.000 0.000 0.226 481 S C 2.212 176.343 174.600 -0.783 0.000 1.033 481 S CA 1.408 58.711 58.200 -1.494 0.000 1.011 481 S CB -0.327 61.990 63.200 -1.470 0.000 0.852 481 S HN 0.436 nan 8.310 nan 0.000 0.457 482 K N 0.847 120.974 120.400 -0.454 0.000 2.031 482 K HA 0.039 4.359 4.320 0.000 0.000 0.205 482 K C 2.104 178.593 176.600 -0.185 0.000 1.049 482 K CA 1.333 57.454 56.287 -0.277 0.000 0.939 482 K CB -0.892 31.491 32.500 -0.195 0.000 0.717 482 K HN 0.350 nan 8.250 nan 0.000 0.438 483 V N 1.638 121.467 119.914 -0.142 0.000 2.392 483 V HA -0.248 3.872 4.120 0.000 0.000 0.249 483 V C 2.528 178.593 176.094 -0.049 0.000 1.059 483 V CA 2.004 64.263 62.300 -0.068 0.000 1.051 483 V CB -0.816 30.995 31.823 -0.020 0.000 0.658 483 V HN 0.352 nan 8.190 nan 0.000 0.455 484 A N 0.449 123.234 122.820 -0.057 0.000 1.929 484 A HA -0.227 4.093 4.320 0.000 0.000 0.216 484 A C 2.084 179.662 177.584 -0.010 0.000 1.176 484 A CA 1.995 54.039 52.037 0.012 0.000 0.628 484 A CB -0.753 18.335 19.000 0.146 0.000 0.816 484 A HN 0.614 nan 8.150 nan 0.000 0.444 485 N N 0.642 119.292 118.700 -0.083 0.000 2.084 485 N HA -0.164 4.576 4.740 0.000 0.000 0.190 485 N C 0.988 176.475 175.510 -0.038 0.000 1.030 485 N CA 1.834 54.845 53.050 -0.065 0.000 0.849 485 N CB -0.356 38.051 38.487 -0.133 0.000 1.012 485 N HN 0.350 nan 8.380 nan 0.000 0.423 486 D N -0.850 119.519 120.400 -0.052 0.000 2.315 486 D HA -0.139 4.501 4.640 0.000 0.000 0.211 486 D C 1.640 177.931 176.300 -0.015 0.000 0.977 486 D CA 1.468 55.448 54.000 -0.034 0.000 0.894 486 D CB -0.674 40.103 40.800 -0.038 0.000 0.910 486 D HN 0.621 nan 8.370 nan 0.000 0.490 487 T N -3.095 111.454 114.554 -0.007 0.000 2.962 487 T HA 0.075 4.425 4.350 0.000 0.000 0.270 487 T C 1.902 176.609 174.700 0.013 0.000 1.088 487 T CA 1.449 63.551 62.100 0.003 0.000 1.127 487 T CB -0.044 68.828 68.868 0.006 0.000 0.883 487 T HN 0.241 nan 8.240 nan 0.000 0.493 488 G N 2.342 111.153 108.800 0.018 0.000 2.267 488 G HA2 -0.332 3.628 3.960 0.000 0.000 0.257 488 G HA3 -0.332 3.628 3.960 0.000 0.000 0.257 488 G C 0.365 175.294 174.900 0.050 0.000 0.998 488 G CA 0.327 45.444 45.100 0.027 0.000 0.620 488 G HN 0.994 nan 8.290 nan 0.000 0.529 489 R N 0.034 120.568 120.500 0.057 0.000 2.546 489 R HA 0.584 4.924 4.340 0.000 0.000 0.266 489 R C 0.284 176.669 176.300 0.142 0.000 1.086 489 R CA -0.600 55.553 56.100 0.087 0.000 1.160 489 R CB 0.509 30.849 30.300 0.067 0.000 1.138 489 R HN 0.366 nan 8.270 nan 0.000 0.567 490 H N 0.337 119.438 119.070 0.051 0.000 2.929 490 H HA 0.146 4.702 4.556 0.000 0.000 0.317 490 H C -0.975 174.404 175.328 0.085 0.000 1.031 490 H CA -0.287 55.803 56.048 0.070 0.000 1.466 490 H CB 0.792 30.593 29.762 0.064 0.000 1.482 490 H HN 0.179 nan 8.280 nan 0.000 0.561 491 V N 8.084 127.884 119.914 -0.190 0.000 2.448 491 V HA 0.277 4.397 4.120 0.000 0.000 0.295 491 V C 0.201 176.159 176.094 -0.227 0.000 1.025 491 V CA -0.625 61.600 62.300 -0.124 0.000 0.859 491 V CB 1.547 33.434 31.823 0.106 0.000 0.988 491 V HN 0.615 nan 8.190 nan 0.000 0.431 492 I N 4.758 125.230 120.570 -0.164 0.000 2.474 492 I HA 0.572 4.742 4.170 0.000 0.000 0.294 492 I C -0.778 175.324 176.117 -0.024 0.000 1.005 492 I CA -0.881 60.367 61.300 -0.087 0.000 1.113 492 I CB 2.236 40.188 38.000 -0.079 0.000 1.289 492 I HN 0.262 nan 8.210 nan 0.000 0.436 493 V N 4.260 124.194 119.914 0.034 0.000 2.540 493 V HA 0.524 4.644 4.120 0.000 0.000 0.302 493 V C 0.118 176.243 176.094 0.053 0.000 1.035 493 V CA -0.440 61.872 62.300 0.020 0.000 0.873 493 V CB 2.029 33.817 31.823 -0.058 0.000 0.992 493 V HN 0.896 nan 8.190 nan 0.000 0.428 494 T N 0.679 115.235 114.554 0.003 0.000 2.930 494 T HA 0.919 5.269 4.350 0.000 0.000 0.290 494 T C -0.275 174.440 174.700 0.025 0.000 1.052 494 T CA -0.347 61.723 62.100 -0.050 0.000 1.017 494 T CB 2.202 71.010 68.868 -0.101 0.000 1.137 494 T HN 0.910 nan 8.240 nan 0.000 0.511 495 T N -1.767 112.805 114.554 0.031 0.000 2.816 495 T HA 0.775 5.125 4.350 0.000 0.000 0.299 495 T C 0.483 175.293 174.700 0.183 0.000 1.230 495 T CA -0.399 61.786 62.100 0.141 0.000 1.007 495 T CB 1.265 70.226 68.868 0.155 0.000 1.289 495 T HN 1.033 nan 8.240 nan 0.000 0.508 496 G N -0.292 108.736 108.800 0.380 0.000 2.630 496 G HA2 0.599 4.560 3.960 0.000 0.000 0.223 496 G HA3 0.599 4.560 3.960 0.000 0.000 0.223 496 G C -0.978 174.045 174.900 0.206 0.000 1.434 496 G CA -0.708 44.612 45.100 0.367 0.000 1.057 496 G HN 0.890 nan 8.290 nan 0.000 0.570 497 V N -0.016 119.987 119.914 0.148 0.000 2.540 497 V HA 0.810 4.930 4.120 0.000 0.000 0.302 497 V C 0.709 176.754 176.094 -0.082 0.000 1.035 497 V CA 0.769 63.031 62.300 -0.065 0.000 0.873 497 V CB 0.605 32.390 31.823 -0.063 0.000 0.992 497 V HN 1.703 nan 8.190 nan 0.000 0.428 498 G N 3.548 112.175 108.800 -0.289 0.000 2.302 498 G HA2 -0.030 3.930 3.960 0.000 0.000 0.276 498 G HA3 -0.030 3.930 3.960 0.000 0.000 0.276 498 G C 0.079 174.712 174.900 -0.444 0.000 1.316 498 G CA 0.010 44.960 45.100 -0.249 0.000 0.988 498 G HN 0.449 nan 8.290 nan 0.000 0.479 499 Q N -0.651 118.901 119.800 -0.413 0.000 2.045 499 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 499 Q C 2.321 177.872 176.000 -0.748 0.000 0.991 499 Q CA 2.243 57.542 55.803 -0.840 0.000 0.851 499 Q CB -0.376 27.747 28.738 -1.025 0.000 0.911 499 Q HN 0.827 nan 8.270 nan 0.000 0.418 500 H N 0.403 119.368 119.070 -0.175 0.000 2.426 500 H HA -0.197 4.360 4.556 0.000 0.000 0.298 500 H C 1.860 177.251 175.328 0.105 0.000 1.107 500 H CA 1.777 57.923 56.048 0.162 0.000 1.298 500 H CB -0.351 29.496 29.762 0.143 0.000 1.377 500 H HN 0.412 nan 8.280 nan 0.000 0.519 501 Q N 0.139 119.505 119.800 -0.724 0.000 2.079 501 Q HA -0.096 4.245 4.340 0.000 0.000 0.200 501 Q C 2.151 178.086 176.000 -0.109 0.000 0.974 501 Q CA 1.257 56.848 55.803 -0.353 0.000 0.840 501 Q CB 0.160 28.632 28.738 -0.443 0.000 0.898 501 Q HN 0.310 nan 8.270 nan 0.000 0.430 502 M N -0.714 118.729 119.600 -0.262 0.000 2.132 502 M HA -0.151 4.329 4.480 0.000 0.000 0.263 502 M C 1.823 178.068 176.300 -0.091 0.000 1.065 502 M CA 1.066 56.232 55.300 -0.224 0.000 1.122 502 M CB -1.133 31.187 32.600 -0.467 0.000 1.365 502 M HN 0.399 nan 8.290 nan 0.000 0.411 503 W N 0.537 121.801 121.300 -0.060 0.000 2.374 503 W HA -0.010 4.650 4.660 0.000 0.000 0.288 503 W C 2.623 179.189 176.519 0.078 0.000 1.218 503 W CA 1.380 58.728 57.345 0.006 0.000 1.245 503 W CB -1.345 28.120 29.460 0.009 0.000 1.126 503 W HN 0.286 nan 8.180 nan 0.000 0.545 504 A N 0.465 123.481 122.820 0.327 0.000 1.930 504 A HA 0.013 4.333 4.320 0.000 0.000 0.217 504 A C 2.252 180.028 177.584 0.319 0.000 1.175 504 A CA 2.493 54.727 52.037 0.328 0.000 0.627 504 A CB -0.978 18.218 19.000 0.327 0.000 0.815 504 A HN 0.104 nan 8.150 nan 0.000 0.443 505 A N -0.556 122.384 122.820 0.201 0.000 1.898 505 A HA -0.166 4.154 4.320 0.000 0.000 0.216 505 A C 2.151 179.861 177.584 0.209 0.000 1.181 505 A CA 1.599 53.702 52.037 0.112 0.000 0.620 505 A CB -0.498 18.522 19.000 0.033 0.000 0.819 505 A HN 0.661 nan 8.150 nan 0.000 0.442 506 Q N -1.088 118.681 119.800 -0.051 0.000 1.994 506 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 506 Q C 1.572 177.346 176.000 -0.377 0.000 0.976 506 Q CA 1.254 56.777 55.803 -0.466 0.000 0.828 506 Q CB -0.291 27.685 28.738 -1.270 0.000 0.894 506 Q HN 0.751 nan 8.270 nan 0.000 0.432 507 H N -1.445 117.583 119.070 -0.070 0.000 2.543 507 H HA 0.009 4.565 4.556 0.000 0.000 0.269 507 H C -0.080 175.230 175.328 -0.031 0.000 1.005 507 H CA 0.231 56.267 56.048 -0.020 0.000 1.146 507 H CB 0.081 29.811 29.762 -0.053 0.000 1.353 507 H HN 0.283 nan 8.280 nan 0.000 0.595 508 W N 1.691 122.855 121.300 -0.226 0.000 2.512 508 W HA 0.190 4.850 4.660 0.000 0.000 0.335 508 W C -0.610 175.437 176.519 -0.786 0.000 1.088 508 W CA -0.471 56.519 57.345 -0.592 0.000 1.236 508 W CB 1.540 30.390 29.460 -1.018 0.000 1.307 508 W HN -0.279 nan 8.180 nan 0.000 0.567 509 T N 5.296 119.428 114.554 -0.702 0.000 2.811 509 T HA 0.144 4.494 4.350 0.000 0.000 0.309 509 T C -0.752 173.776 174.700 -0.287 0.000 1.005 509 T CA -0.017 61.846 62.100 -0.395 0.000 0.955 509 T CB -0.324 68.367 68.868 -0.296 0.000 0.970 509 T HN 0.199 nan 8.240 nan 0.000 0.496 510 W N 2.977 124.391 121.300 0.189 0.000 2.322 510 W HA 0.439 5.099 4.660 0.000 0.000 0.307 510 W C 1.307 177.881 176.519 0.091 0.000 1.220 510 W CA -0.935 56.505 57.345 0.158 0.000 1.210 510 W CB 0.769 30.270 29.460 0.068 0.000 1.223 510 W HN 0.493 nan 8.180 nan 0.000 0.511 511 R N 1.286 121.956 120.500 0.284 0.000 2.591 511 R HA 0.114 4.454 4.340 0.000 0.000 0.288 511 R C -0.467 175.914 176.300 0.135 0.000 0.947 511 R CA -0.304 55.882 56.100 0.143 0.000 1.085 511 R CB 0.303 30.646 30.300 0.071 0.000 1.618 511 R HN 0.498 nan 8.270 nan 0.000 0.524 512 N N 2.308 121.131 118.700 0.206 0.000 2.321 512 N HA 0.354 5.094 4.740 0.000 0.000 0.299 512 N C -2.917 172.690 175.510 0.161 0.000 1.048 512 N CA -1.720 51.439 53.050 0.183 0.000 0.836 512 N CB 2.252 40.889 38.487 0.249 0.000 1.269 512 N HN -0.250 nan 8.380 nan 0.000 0.486 513 P HA 0.065 nan 4.420 nan 0.000 0.274 513 P C -0.837 176.431 177.300 -0.054 0.000 1.231 513 P CA 0.242 63.267 63.100 -0.125 0.000 0.790 513 P CB 0.346 31.897 31.700 -0.249 0.000 0.951 514 H N -0.528 118.603 119.070 0.102 0.000 2.791 514 H HA -0.120 4.436 4.556 0.000 0.000 0.302 514 H C 0.576 175.971 175.328 0.113 0.000 1.198 514 H CA 1.432 57.531 56.048 0.084 0.000 1.145 514 H CB -2.489 27.319 29.762 0.077 0.000 1.385 514 H HN 0.535 nan 8.280 nan 0.000 0.409 515 T N -4.066 110.601 114.554 0.189 0.000 3.040 515 T HA 0.262 4.612 4.350 0.000 0.000 0.266 515 T C 0.056 174.885 174.700 0.215 0.000 1.005 515 T CA -0.271 61.939 62.100 0.184 0.000 0.906 515 T CB 0.365 69.376 68.868 0.240 0.000 1.082 515 T HN 0.120 nan 8.240 nan 0.000 0.531 516 F N 2.266 122.144 119.950 -0.120 0.000 2.500 516 F HA 0.654 5.181 4.527 0.000 0.000 0.349 516 F C -1.369 174.320 175.800 -0.186 0.000 1.127 516 F CA -2.725 55.090 58.000 -0.308 0.000 0.998 516 F CB 1.047 39.527 39.000 -0.867 0.000 1.237 516 F HN 0.035 nan 8.300 nan 0.000 0.439 517 I N 5.716 126.061 120.570 -0.374 0.000 2.371 517 I HA 0.303 4.473 4.170 0.000 0.000 0.282 517 I C -0.101 175.799 176.117 -0.361 0.000 1.031 517 I CA -0.214 60.910 61.300 -0.293 0.000 1.180 517 I CB 1.426 39.363 38.000 -0.104 0.000 1.336 517 I HN 0.509 nan 8.210 nan 0.000 0.467 518 T N 3.262 117.512 114.554 -0.506 0.000 2.903 518 T HA 0.317 4.668 4.350 0.000 0.000 0.299 518 T C -0.703 173.750 174.700 -0.412 0.000 1.093 518 T CA -0.429 61.417 62.100 -0.423 0.000 1.002 518 T CB 1.966 70.357 68.868 -0.796 0.000 1.127 518 T HN 0.378 nan 8.240 nan 0.000 0.488 519 S N 1.768 117.153 115.700 -0.525 0.000 2.416 519 S HA 0.522 4.992 4.470 0.000 0.000 0.287 519 S C 1.089 175.478 174.600 -0.352 0.000 1.139 519 S CA 0.052 57.868 58.200 -0.641 0.000 1.058 519 S CB -0.011 62.684 63.200 -0.841 0.000 0.967 519 S HN 0.875 nan 8.310 nan 0.000 0.495 520 G N 3.815 112.450 108.800 -0.275 0.000 2.742 520 G HA2 0.216 4.176 3.960 0.000 0.000 0.204 520 G HA3 0.216 4.176 3.960 0.000 0.000 0.204 520 G C 1.217 176.033 174.900 -0.139 0.000 1.126 520 G CA 0.418 45.410 45.100 -0.179 0.000 0.829 520 G HN 0.779 nan 8.290 nan 0.000 0.574 521 G N 1.122 109.843 108.800 -0.132 0.000 2.453 521 G HA2 -0.106 3.854 3.960 0.000 0.000 0.215 521 G HA3 -0.106 3.854 3.960 0.000 0.000 0.215 521 G C 1.673 176.521 174.900 -0.087 0.000 1.201 521 G CA 1.170 46.215 45.100 -0.091 0.000 0.784 521 G HN 0.334 nan 8.290 nan 0.000 0.545 522 L N 0.730 121.891 121.223 -0.102 0.000 2.270 522 L HA 0.360 4.700 4.340 0.000 0.000 0.210 522 L C 1.740 178.540 176.870 -0.116 0.000 1.104 522 L CA 1.432 56.219 54.840 -0.088 0.000 0.804 522 L CB -0.393 41.625 42.059 -0.069 0.000 0.937 522 L HN 0.513 nan 8.230 nan 0.000 0.450 523 G N 0.902 109.604 108.800 -0.163 0.000 2.370 523 G HA2 -0.262 3.698 3.960 0.000 0.000 0.295 523 G HA3 -0.262 3.698 3.960 0.000 0.000 0.295 523 G C 0.135 174.947 174.900 -0.146 0.000 1.045 523 G CA 0.491 45.491 45.100 -0.167 0.000 1.199 523 G HN 0.348 nan 8.290 nan 0.000 0.513 524 T N 2.517 116.962 114.554 -0.182 0.000 2.723 524 T HA 0.487 4.837 4.350 0.000 0.000 0.297 524 T C 1.235 175.883 174.700 -0.086 0.000 0.925 524 T CA -0.177 61.852 62.100 -0.119 0.000 1.030 524 T CB 0.656 69.463 68.868 -0.101 0.000 0.905 524 T HN 0.443 nan 8.240 nan 0.000 0.502 525 M N 2.242 121.817 119.600 -0.042 0.000 2.252 525 M HA 0.319 4.799 4.480 0.000 0.000 0.333 525 M C 1.530 177.825 176.300 -0.009 0.000 1.111 525 M CA 0.978 56.276 55.300 -0.004 0.000 1.140 525 M CB 0.262 32.865 32.600 0.004 0.000 1.538 525 M HN 0.984 nan 8.290 nan 0.000 0.448 526 G N 1.221 110.025 108.800 0.008 0.000 2.175 526 G HA2 -0.315 3.645 3.960 0.000 0.000 0.244 526 G HA3 -0.315 3.645 3.960 0.000 0.000 0.244 526 G C 0.338 175.196 174.900 -0.070 0.000 0.982 526 G CA 0.396 45.480 45.100 -0.025 0.000 0.641 526 G HN 0.826 nan 8.290 nan 0.000 0.527 527 Y N 1.583 121.726 120.300 -0.263 0.000 2.263 527 Y HA 0.197 4.747 4.550 0.000 0.000 0.292 527 Y C 2.566 178.344 175.900 -0.203 0.000 1.130 527 Y CA 2.309 60.160 58.100 -0.415 0.000 1.179 527 Y CB -0.567 37.652 38.460 -0.401 0.000 0.998 527 Y HN 0.248 nan 8.280 nan 0.000 0.532 528 G N 1.098 109.861 108.800 -0.062 0.000 2.672 528 G HA2 -0.380 3.580 3.960 0.000 0.000 0.218 528 G HA3 -0.380 3.580 3.960 0.000 0.000 0.218 528 G C 1.606 176.442 174.900 -0.107 0.000 1.238 528 G CA 1.521 46.580 45.100 -0.068 0.000 0.791 528 G HN 0.448 nan 8.290 nan 0.000 0.606 529 L N 2.649 123.861 121.223 -0.018 0.000 1.970 529 L HA -0.003 4.337 4.340 0.000 0.000 0.212 529 L C 0.467 177.304 176.870 -0.054 0.000 1.071 529 L CA 2.666 57.515 54.840 0.015 0.000 0.751 529 L CB -1.227 40.883 42.059 0.084 0.000 0.889 529 L HN 0.214 nan 8.230 nan 0.000 0.432 530 P HA -0.176 nan 4.420 nan 0.000 0.216 530 P C 1.407 178.596 177.300 -0.185 0.000 1.150 530 P CA 2.131 65.180 63.100 -0.085 0.000 0.837 530 P CB -0.199 31.488 31.700 -0.021 0.000 0.786 531 A N 0.737 123.322 122.820 -0.391 0.000 1.902 531 A HA -0.060 4.260 4.320 0.000 0.000 0.217 531 A C 2.549 179.987 177.584 -0.243 0.000 1.181 531 A CA 2.236 53.971 52.037 -0.504 0.000 0.623 531 A CB -1.563 16.810 19.000 -1.046 0.000 0.818 531 A HN 0.232 nan 8.150 nan 0.000 0.443 532 A N 0.125 122.842 122.820 -0.171 0.000 1.883 532 A HA -0.130 4.190 4.320 0.000 0.000 0.217 532 A C 2.125 179.702 177.584 -0.012 0.000 1.186 532 A CA 1.615 53.612 52.037 -0.068 0.000 0.624 532 A CB -0.688 18.295 19.000 -0.028 0.000 0.822 532 A HN 0.507 nan 8.150 nan 0.000 0.444 533 I N -0.335 120.238 120.570 0.004 0.000 2.208 533 I HA -0.240 3.930 4.170 0.000 0.000 0.245 533 I C 2.670 178.858 176.117 0.120 0.000 1.097 533 I CA 1.221 62.562 61.300 0.068 0.000 1.363 533 I CB -0.685 37.364 38.000 0.082 0.000 1.051 533 I HN 0.423 nan 8.210 nan 0.000 0.413 534 G N 0.372 109.208 108.800 0.060 0.000 2.402 534 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 534 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 534 G C 1.865 176.883 174.900 0.196 0.000 1.162 534 G CA 0.775 45.946 45.100 0.118 0.000 0.777 534 G HN 0.491 nan 8.290 nan 0.000 0.539 535 A N 0.269 123.132 122.820 0.071 0.000 1.898 535 A HA -0.057 4.263 4.320 0.000 0.000 0.216 535 A C 2.296 179.933 177.584 0.088 0.000 1.181 535 A CA 2.152 54.221 52.037 0.054 0.000 0.620 535 A CB -0.445 18.554 19.000 -0.001 0.000 0.819 535 A HN 0.399 nan 8.150 nan 0.000 0.442 536 Q N -0.133 119.721 119.800 0.090 0.000 2.226 536 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 536 Q C 1.719 177.798 176.000 0.131 0.000 0.975 536 Q CA 1.889 57.748 55.803 0.092 0.000 0.866 536 Q CB -0.460 28.324 28.738 0.077 0.000 0.915 536 Q HN 0.365 nan 8.270 nan 0.000 0.440 537 V N 0.118 120.150 119.914 0.198 0.000 2.453 537 V HA -0.150 3.970 4.120 0.000 0.000 0.247 537 V C 2.152 178.410 176.094 0.273 0.000 1.048 537 V CA 1.504 63.948 62.300 0.241 0.000 1.049 537 V CB -0.940 31.081 31.823 0.330 0.000 0.672 537 V HN 0.493 nan 8.190 nan 0.000 0.457 538 A N -0.808 122.174 122.820 0.270 0.000 1.929 538 A HA -0.056 4.264 4.320 0.000 0.000 0.216 538 A C 1.375 178.991 177.584 0.054 0.000 1.176 538 A CA 1.181 53.269 52.037 0.086 0.000 0.628 538 A CB -0.025 18.857 19.000 -0.197 0.000 0.816 538 A HN 0.384 nan 8.150 nan 0.000 0.444 539 K N -0.571 119.876 120.400 0.079 0.000 2.679 539 K HA 0.303 4.623 4.320 0.000 0.000 0.188 539 K C -2.531 174.126 176.600 0.095 0.000 1.055 539 K CA -1.885 54.457 56.287 0.091 0.000 1.006 539 K CB 1.086 33.666 32.500 0.133 0.000 1.317 539 K HN 0.072 nan 8.250 nan 0.000 0.584 540 P HA -0.173 nan 4.420 nan 0.000 0.216 540 P C 0.822 178.162 177.300 0.067 0.000 1.150 540 P CA 1.273 64.418 63.100 0.076 0.000 0.843 540 P CB 0.497 32.238 31.700 0.069 0.000 0.787 541 E N -0.833 119.410 120.200 0.072 0.000 2.435 541 E HA 0.060 4.410 4.350 0.000 0.000 0.195 541 E C 0.629 177.283 176.600 0.089 0.000 1.029 541 E CA 0.491 56.933 56.400 0.070 0.000 0.865 541 E CB -0.388 29.350 29.700 0.063 0.000 0.833 541 E HN 0.244 nan 8.360 nan 0.000 0.510 542 S N 1.089 116.857 115.700 0.114 0.000 2.603 542 S HA 0.223 4.693 4.470 0.000 0.000 0.268 542 S C 0.099 174.725 174.600 0.044 0.000 1.317 542 S CA -0.645 57.625 58.200 0.116 0.000 1.012 542 S CB 0.953 64.240 63.200 0.144 0.000 0.926 542 S HN 0.108 nan 8.310 nan 0.000 0.539 543 L N 3.727 124.959 121.223 0.015 0.000 2.268 543 L HA 0.442 4.782 4.340 0.000 0.000 0.289 543 L C -0.992 175.862 176.870 -0.027 0.000 1.064 543 L CA -0.101 54.731 54.840 -0.013 0.000 0.824 543 L CB 0.112 42.165 42.059 -0.010 0.000 1.202 543 L HN 0.364 nan 8.230 nan 0.000 0.433 544 V N 7.109 127.008 119.914 -0.024 0.000 2.383 544 V HA 0.431 4.551 4.120 0.000 0.000 0.275 544 V C 0.323 176.404 176.094 -0.020 0.000 1.036 544 V CA -0.317 61.971 62.300 -0.020 0.000 0.889 544 V CB 1.104 32.925 31.823 -0.002 0.000 0.985 544 V HN 0.604 nan 8.190 nan 0.000 0.459 545 I N 3.850 124.416 120.570 -0.007 0.000 2.433 545 I HA 0.402 4.572 4.170 0.000 0.000 0.292 545 I C -0.757 175.385 176.117 0.042 0.000 1.001 545 I CA -0.467 60.851 61.300 0.030 0.000 1.119 545 I CB 2.095 40.134 38.000 0.066 0.000 1.289 545 I HN 0.569 nan 8.210 nan 0.000 0.438 546 D N 7.703 128.148 120.400 0.076 0.000 2.427 546 D HA 0.366 5.007 4.640 0.000 0.000 0.226 546 D C -0.582 175.763 176.300 0.074 0.000 1.076 546 D CA -0.233 53.802 54.000 0.059 0.000 0.849 546 D CB 0.786 41.614 40.800 0.046 0.000 1.052 546 D HN 0.321 nan 8.370 nan 0.000 0.515 547 I N 3.827 124.456 120.570 0.098 0.000 2.308 547 I HA 0.211 4.381 4.170 0.000 0.000 0.293 547 I C 0.348 176.548 176.117 0.138 0.000 1.078 547 I CA -0.271 61.102 61.300 0.121 0.000 1.292 547 I CB 0.591 38.702 38.000 0.186 0.000 1.423 547 I HN 0.337 nan 8.210 nan 0.000 0.493 548 D N 4.210 124.567 120.400 -0.072 0.000 2.414 548 D HA 0.585 5.225 4.640 0.000 0.000 0.241 548 D C -0.171 175.667 176.300 -0.770 0.000 1.008 548 D CA -0.234 53.578 54.000 -0.312 0.000 1.001 548 D CB 2.541 43.236 40.800 -0.175 0.000 1.277 548 D HN 0.512 nan 8.370 nan 0.000 0.538 549 G N -0.364 107.774 108.800 -1.103 0.000 2.441 549 G HA2 0.269 4.229 3.960 0.000 0.000 0.334 549 G HA3 0.269 4.229 3.960 0.000 0.000 0.334 549 G C 0.763 175.498 174.900 -0.275 0.000 1.161 549 G CA -0.451 44.219 45.100 -0.717 0.000 0.935 549 G HN 0.490 nan 8.290 nan 0.000 0.488 550 D N 0.621 120.943 120.400 -0.131 0.000 2.117 550 D HA -0.158 4.482 4.640 0.000 0.000 0.197 550 D C 2.292 178.681 176.300 0.148 0.000 0.987 550 D CA 1.296 55.307 54.000 0.018 0.000 0.829 550 D CB -0.492 40.419 40.800 0.184 0.000 0.961 550 D HN 0.372 nan 8.370 nan 0.000 0.460 551 A N 0.896 123.772 122.820 0.094 0.000 1.898 551 A HA -0.108 4.212 4.320 0.000 0.000 0.216 551 A C 2.522 180.152 177.584 0.076 0.000 1.181 551 A CA 1.833 53.925 52.037 0.091 0.000 0.620 551 A CB -0.643 18.389 19.000 0.054 0.000 0.819 551 A HN 0.257 nan 8.150 nan 0.000 0.442 552 S N -1.106 114.631 115.700 0.062 0.000 2.368 552 S HA -0.125 4.345 4.470 0.000 0.000 0.225 552 S C 1.659 176.303 174.600 0.074 0.000 1.030 552 S CA 1.426 59.664 58.200 0.063 0.000 0.999 552 S CB -0.503 62.751 63.200 0.091 0.000 0.844 552 S HN 0.598 nan 8.310 nan 0.000 0.459 553 F N 2.917 122.819 119.950 -0.080 0.000 2.095 553 F HA -0.166 4.361 4.527 0.000 0.000 0.298 553 F C 1.765 177.566 175.800 0.002 0.000 1.104 553 F CA 1.476 59.429 58.000 -0.078 0.000 1.232 553 F CB -0.899 37.986 39.000 -0.190 0.000 0.987 553 F HN 0.171 nan 8.300 nan 0.000 0.475 554 N N -0.438 118.293 118.700 0.051 0.000 2.192 554 N HA -0.232 4.508 4.740 0.000 0.000 0.188 554 N C 1.929 177.378 175.510 -0.102 0.000 1.013 554 N CA 1.689 54.731 53.050 -0.014 0.000 0.863 554 N CB -0.171 38.376 38.487 0.101 0.000 0.990 554 N HN 0.278 nan 8.380 nan 0.000 0.430 555 M N -0.366 119.186 119.600 -0.081 0.000 2.108 555 M HA -0.103 4.377 4.480 0.000 0.000 0.261 555 M C 1.264 177.480 176.300 -0.139 0.000 1.066 555 M CA 1.509 56.757 55.300 -0.087 0.000 1.107 555 M CB -0.774 31.794 32.600 -0.054 0.000 1.356 555 M HN 0.325 nan 8.290 nan 0.000 0.406 556 T N -2.539 111.902 114.554 -0.188 0.000 3.288 556 T HA 0.320 4.670 4.350 0.000 0.000 0.293 556 T C 0.991 175.525 174.700 -0.276 0.000 1.008 556 T CA -0.400 61.585 62.100 -0.193 0.000 0.929 556 T CB -0.531 68.266 68.868 -0.118 0.000 1.152 556 T HN 0.227 nan 8.240 nan 0.000 0.517 557 L N -0.537 120.407 121.223 -0.466 0.000 2.551 557 L HA 0.157 4.497 4.340 0.000 0.000 0.230 557 L C 2.066 178.778 176.870 -0.264 0.000 1.163 557 L CA 1.466 55.909 54.840 -0.660 0.000 0.826 557 L CB -1.949 39.564 42.059 -0.910 0.000 0.943 557 L HN 0.262 nan 8.230 nan 0.000 0.452 558 T N -0.826 113.639 114.554 -0.149 0.000 3.035 558 T HA -0.070 4.280 4.350 0.000 0.000 0.268 558 T C 1.560 176.257 174.700 -0.006 0.000 1.109 558 T CA 0.891 62.962 62.100 -0.047 0.000 1.119 558 T CB -0.322 68.537 68.868 -0.015 0.000 0.900 558 T HN 0.456 nan 8.240 nan 0.000 0.503 559 E N 1.013 121.200 120.200 -0.023 0.000 2.516 559 E HA 0.099 4.449 4.350 0.000 0.000 0.199 559 E C 1.978 178.610 176.600 0.053 0.000 1.069 559 E CA 0.057 56.474 56.400 0.028 0.000 0.876 559 E CB -0.225 29.487 29.700 0.021 0.000 0.843 559 E HN 0.543 nan 8.360 nan 0.000 0.530 560 L N 0.956 122.210 121.223 0.051 0.000 2.046 560 L HA -0.204 4.136 4.340 0.000 0.000 0.208 560 L C 2.448 179.374 176.870 0.094 0.000 1.077 560 L CA 1.635 56.535 54.840 0.100 0.000 0.747 560 L CB -0.501 41.639 42.059 0.136 0.000 0.896 560 L HN 0.159 nan 8.230 nan 0.000 0.432 561 S N -1.934 113.816 115.700 0.083 0.000 2.447 561 S HA -0.115 4.355 4.470 0.000 0.000 0.233 561 S C 2.005 176.659 174.600 0.089 0.000 1.006 561 S CA 1.144 59.394 58.200 0.083 0.000 0.957 561 S CB -0.190 63.056 63.200 0.077 0.000 0.773 561 S HN 0.297 nan 8.310 nan 0.000 0.507 562 S N 2.165 117.922 115.700 0.096 0.000 2.387 562 S HA 0.193 4.663 4.470 0.000 0.000 0.226 562 S C 2.332 176.994 174.600 0.103 0.000 1.026 562 S CA 0.825 59.091 58.200 0.109 0.000 0.972 562 S CB -0.699 62.573 63.200 0.120 0.000 0.814 562 S HN 0.770 nan 8.310 nan 0.000 0.477 563 A N 1.299 124.177 122.820 0.097 0.000 1.908 563 A HA -0.066 4.254 4.320 0.000 0.000 0.218 563 A C 2.311 179.946 177.584 0.084 0.000 1.181 563 A CA 1.593 53.686 52.037 0.093 0.000 0.627 563 A CB -0.920 18.136 19.000 0.093 0.000 0.818 563 A HN 0.346 nan 8.150 nan 0.000 0.445 564 V N -0.064 119.899 119.914 0.082 0.000 2.358 564 V HA -0.293 3.827 4.120 0.000 0.000 0.246 564 V C 2.697 178.833 176.094 0.070 0.000 1.047 564 V CA 2.272 64.615 62.300 0.073 0.000 1.035 564 V CB -0.801 31.065 31.823 0.071 0.000 0.658 564 V HN 0.799 nan 8.190 nan 0.000 0.452 565 Q N -0.007 119.839 119.800 0.077 0.000 2.230 565 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 565 Q C 2.017 178.063 176.000 0.076 0.000 0.963 565 Q CA 1.457 57.305 55.803 0.076 0.000 0.866 565 Q CB -0.176 28.614 28.738 0.086 0.000 0.931 565 Q HN 0.629 nan 8.270 nan 0.000 0.452 566 A N -0.260 122.609 122.820 0.082 0.000 2.169 566 A HA 0.270 4.591 4.320 0.000 0.000 0.212 566 A C 1.470 179.095 177.584 0.068 0.000 1.153 566 A CA 0.752 52.836 52.037 0.078 0.000 0.756 566 A CB -0.385 18.671 19.000 0.093 0.000 0.813 566 A HN 0.605 nan 8.150 nan 0.000 0.471 567 G N 0.054 108.893 108.800 0.065 0.000 2.176 567 G HA2 -0.210 3.750 3.960 0.000 0.000 0.252 567 G HA3 -0.210 3.750 3.960 0.000 0.000 0.252 567 G C 0.297 175.232 174.900 0.059 0.000 1.024 567 G CA 0.619 45.752 45.100 0.056 0.000 0.755 567 G HN 1.456 nan 8.290 nan 0.000 0.507 568 T N -0.813 113.781 114.554 0.067 0.000 2.781 568 T HA 0.634 4.984 4.350 0.000 0.000 0.305 568 T C -1.482 173.251 174.700 0.055 0.000 1.001 568 T CA -1.620 60.520 62.100 0.067 0.000 0.950 568 T CB 2.334 71.252 68.868 0.083 0.000 0.955 568 T HN 0.130 nan 8.240 nan 0.000 0.471 569 P HA 0.118 nan 4.420 nan 0.000 0.249 569 P C 0.685 177.991 177.300 0.010 0.000 1.686 569 P CA -0.329 62.786 63.100 0.026 0.000 0.873 569 P CB -0.676 31.033 31.700 0.015 0.000 1.828 570 V N -1.700 118.231 119.914 0.028 0.000 2.963 570 V HA 0.263 4.383 4.120 0.000 0.000 0.306 570 V C 0.331 176.430 176.094 0.010 0.000 1.077 570 V CA -0.229 62.083 62.300 0.020 0.000 1.124 570 V CB 0.022 31.873 31.823 0.046 0.000 0.987 570 V HN -0.096 nan 8.190 nan 0.000 0.487 571 K N 4.601 124.986 120.400 -0.025 0.000 2.316 571 K HA 0.597 4.917 4.320 0.000 0.000 0.267 571 K C -0.755 175.993 176.600 0.247 0.000 1.025 571 K CA -0.458 55.802 56.287 -0.046 0.000 0.896 571 K CB 1.016 33.184 32.500 -0.553 0.000 1.124 571 K HN 0.640 nan 8.250 nan 0.000 0.451 572 I N 4.623 125.391 120.570 0.329 0.000 2.304 572 I HA 0.261 4.431 4.170 0.000 0.000 0.291 572 I C -0.475 175.667 176.117 0.041 0.000 1.018 572 I CA -0.987 60.405 61.300 0.153 0.000 1.260 572 I CB 0.561 38.566 38.000 0.009 0.000 1.390 572 I HN 0.402 nan 8.210 nan 0.000 0.475 573 L N 8.550 129.759 121.223 -0.022 0.000 2.296 573 L HA 0.584 4.924 4.340 0.000 0.000 0.286 573 L C -0.606 176.075 176.870 -0.316 0.000 1.023 573 L CA -0.018 54.671 54.840 -0.253 0.000 0.812 573 L CB 1.065 43.064 42.059 -0.099 0.000 1.223 573 L HN 0.380 nan 8.230 nan 0.000 0.421 574 I N 6.596 126.906 120.570 -0.434 0.000 2.382 574 I HA 0.262 4.432 4.170 0.000 0.000 0.285 574 I C -0.645 175.280 176.117 -0.321 0.000 1.007 574 I CA -0.489 60.518 61.300 -0.489 0.000 1.142 574 I CB 1.381 38.884 38.000 -0.828 0.000 1.289 574 I HN 0.463 nan 8.210 nan 0.000 0.453 575 L N 6.152 127.242 121.223 -0.221 0.000 2.334 575 L HA 0.223 4.563 4.340 0.000 0.000 0.286 575 L C 0.165 176.990 176.870 -0.076 0.000 1.108 575 L CA -0.204 54.575 54.840 -0.101 0.000 0.875 575 L CB -0.162 41.907 42.059 0.017 0.000 1.246 575 L HN 0.537 nan 8.230 nan 0.000 0.439 576 N N 2.940 121.605 118.700 -0.059 0.000 2.420 576 N HA 0.072 4.812 4.740 0.000 0.000 0.249 576 N C 0.345 175.893 175.510 0.063 0.000 1.033 576 N CA -0.331 52.733 53.050 0.023 0.000 0.944 576 N CB 0.664 39.209 38.487 0.098 0.000 1.113 576 N HN 0.467 nan 8.380 nan 0.000 0.502 577 N N 2.095 120.847 118.700 0.085 0.000 2.177 577 N HA 0.063 4.803 4.740 0.000 0.000 0.218 577 N C -0.806 174.770 175.510 0.111 0.000 1.182 577 N CA -0.221 52.887 53.050 0.097 0.000 0.882 577 N CB -0.267 38.290 38.487 0.117 0.000 1.052 577 N HN 0.561 nan 8.380 nan 0.000 0.519 578 E N 0.357 120.632 120.200 0.125 0.000 2.269 578 E HA -0.279 4.072 4.350 0.000 0.000 0.223 578 E C -0.779 175.905 176.600 0.139 0.000 1.244 578 E CA 1.096 57.583 56.400 0.145 0.000 0.713 578 E CB -1.520 28.268 29.700 0.146 0.000 1.178 578 E HN 0.879 nan 8.360 nan 0.000 0.370 579 E N -1.389 118.847 120.200 0.060 0.000 2.432 579 E HA 0.305 4.655 4.350 0.000 0.000 0.279 579 E C -0.916 175.640 176.600 -0.073 0.000 1.099 579 E CA -0.976 55.371 56.400 -0.088 0.000 0.859 579 E CB 0.777 30.382 29.700 -0.159 0.000 1.402 579 E HN 0.036 nan 8.360 nan 0.000 0.451 580 Q N 0.640 120.349 119.800 -0.152 0.000 2.963 580 Q HA 0.236 4.576 4.340 0.000 0.000 0.262 580 Q C 0.986 176.957 176.000 -0.048 0.000 1.318 580 Q CA 0.282 56.043 55.803 -0.069 0.000 1.089 580 Q CB 0.644 29.337 28.738 -0.076 0.000 1.424 580 Q HN 0.771 nan 8.270 nan 0.000 0.560 581 G N 1.720 110.514 108.800 -0.010 0.000 2.732 581 G HA2 -0.382 3.578 3.960 0.000 0.000 0.222 581 G HA3 -0.382 3.578 3.960 0.000 0.000 0.222 581 G C 1.212 176.124 174.900 0.020 0.000 1.203 581 G CA 1.189 46.293 45.100 0.008 0.000 0.780 581 G HN 0.505 nan 8.290 nan 0.000 0.621 582 M N 0.061 119.658 119.600 -0.004 0.000 2.149 582 M HA -0.032 4.448 4.480 0.000 0.000 0.261 582 M C 2.528 178.933 176.300 0.175 0.000 1.064 582 M CA 1.165 56.500 55.300 0.058 0.000 1.102 582 M CB -0.231 32.354 32.600 -0.025 0.000 1.369 582 M HN 0.094 nan 8.290 nan 0.000 0.408 583 V N -0.792 119.173 119.914 0.086 0.000 2.407 583 V HA -0.198 3.922 4.120 0.000 0.000 0.245 583 V C 2.400 178.628 176.094 0.224 0.000 1.041 583 V CA 1.985 64.353 62.300 0.114 0.000 1.040 583 V CB -1.526 30.307 31.823 0.017 0.000 0.671 583 V HN 0.688 nan 8.190 nan 0.000 0.455 584 T N -1.501 113.148 114.554 0.158 0.000 2.833 584 T HA -0.316 4.034 4.350 0.000 0.000 0.269 584 T C 1.827 176.723 174.700 0.328 0.000 1.054 584 T CA 1.889 64.137 62.100 0.247 0.000 1.135 584 T CB -0.342 68.509 68.868 -0.028 0.000 0.869 584 T HN 0.523 nan 8.240 nan 0.000 0.466 585 Q N -0.650 119.308 119.800 0.264 0.000 2.050 585 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 585 Q C 1.947 178.099 176.000 0.254 0.000 0.980 585 Q CA 1.563 57.507 55.803 0.235 0.000 0.840 585 Q CB -0.290 28.578 28.738 0.217 0.000 0.898 585 Q HN 0.713 nan 8.270 nan 0.000 0.424 586 W N 1.027 122.461 121.300 0.224 0.000 2.402 586 W HA -0.088 4.572 4.660 0.000 0.000 0.286 586 W C 2.211 178.989 176.519 0.432 0.000 1.221 586 W CA 1.063 58.654 57.345 0.410 0.000 1.257 586 W CB -0.073 29.623 29.460 0.393 0.000 1.120 586 W HN 0.311 nan 8.180 nan 0.000 0.551 587 Q N -0.823 119.275 119.800 0.496 0.000 2.230 587 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 587 Q C 2.149 178.196 176.000 0.079 0.000 0.963 587 Q CA 1.526 57.541 55.803 0.352 0.000 0.866 587 Q CB -0.311 28.548 28.738 0.202 0.000 0.931 587 Q HN 0.136 nan 8.270 nan 0.000 0.452 588 S N 0.674 116.390 115.700 0.027 0.000 2.377 588 S HA -0.004 4.466 4.470 0.000 0.000 0.223 588 S C 1.904 176.204 174.600 -0.501 0.000 1.030 588 S CA 0.704 58.698 58.200 -0.344 0.000 0.970 588 S CB 0.006 63.174 63.200 -0.053 0.000 0.830 588 S HN 0.251 nan 8.310 nan 0.000 0.473 589 L N -0.559 120.419 121.223 -0.407 0.000 2.095 589 L HA 0.079 4.419 4.340 0.000 0.000 0.204 589 L C 1.532 177.892 176.870 -0.851 0.000 1.080 589 L CA 1.282 55.675 54.840 -0.745 0.000 0.759 589 L CB -0.328 41.011 42.059 -1.198 0.000 0.914 589 L HN 0.302 nan 8.230 nan 0.000 0.439 590 F N -3.061 116.781 119.950 -0.181 0.000 2.720 590 F HA 0.120 4.647 4.527 0.000 0.000 0.301 590 F C 0.516 175.987 175.800 -0.548 0.000 1.103 590 F CA -0.257 57.539 58.000 -0.340 0.000 1.291 590 F CB 0.247 39.016 39.000 -0.385 0.000 1.086 590 F HN -0.109 nan 8.300 nan 0.000 0.592 591 Y N 0.264 120.605 120.300 0.068 0.000 2.634 591 Y HA 0.289 4.839 4.550 0.000 0.000 0.292 591 Y C 0.005 175.873 175.900 -0.054 0.000 0.996 591 Y CA -1.417 56.700 58.100 0.029 0.000 1.165 591 Y CB -0.629 37.863 38.460 0.053 0.000 1.194 591 Y HN 0.042 nan 8.280 nan 0.000 0.585 592 E N 0.290 120.492 120.200 0.004 0.000 2.165 592 E HA -0.318 4.032 4.350 0.000 0.000 0.203 592 E C -0.603 176.063 176.600 0.110 0.000 1.335 592 E CA 0.976 57.419 56.400 0.071 0.000 0.708 592 E CB -1.505 28.247 29.700 0.087 0.000 1.105 592 E HN 0.752 nan 8.360 nan 0.000 0.346 593 H N -2.582 116.402 119.070 -0.143 0.000 2.741 593 H HA -0.207 4.349 4.556 0.000 0.000 0.305 593 H C -0.121 174.769 175.328 -0.731 0.000 1.169 593 H CA 1.377 57.160 56.048 -0.441 0.000 1.144 593 H CB -1.272 28.404 29.762 -0.144 0.000 1.397 593 H HN 0.302 nan 8.280 nan 0.000 0.409 594 R N 1.010 121.275 120.500 -0.391 0.000 2.391 594 R HA 0.203 4.543 4.340 0.000 0.000 0.310 594 R C -0.642 175.485 176.300 -0.288 0.000 1.174 594 R CA -0.378 55.569 56.100 -0.255 0.000 1.118 594 R CB 0.263 30.531 30.300 -0.053 0.000 1.134 594 R HN 0.332 nan 8.270 nan 0.000 0.524 595 Y N 0.839 121.204 120.300 0.107 0.000 2.573 595 Y HA 0.028 4.578 4.550 0.000 0.000 0.346 595 Y C 0.935 176.849 175.900 0.024 0.000 1.198 595 Y CA -0.337 57.817 58.100 0.091 0.000 1.627 595 Y CB 0.618 39.198 38.460 0.200 0.000 1.457 595 Y HN 0.351 nan 8.280 nan 0.000 0.483 596 S N 4.823 120.538 115.700 0.025 0.000 2.485 596 S HA 0.101 4.571 4.470 0.000 0.000 0.312 596 S C -0.022 174.512 174.600 -0.109 0.000 1.102 596 S CA -0.396 57.704 58.200 -0.165 0.000 1.066 596 S CB -0.601 62.518 63.200 -0.136 0.000 1.102 596 S HN 0.782 nan 8.310 nan 0.000 0.519 597 H N 1.691 120.838 119.070 0.128 0.000 2.826 597 H HA -0.118 4.438 4.556 0.000 0.000 0.306 597 H C 0.866 176.228 175.328 0.056 0.000 1.235 597 H CA 1.198 57.304 56.048 0.097 0.000 1.150 597 H CB -2.470 27.322 29.762 0.050 0.000 1.409 597 H HN 0.709 nan 8.280 nan 0.000 0.420 598 T N -3.369 111.244 114.554 0.099 0.000 3.134 598 T HA 0.240 4.590 4.350 0.000 0.000 0.260 598 T C 0.273 174.750 174.700 -0.371 0.000 1.027 598 T CA -0.226 61.805 62.100 -0.115 0.000 0.913 598 T CB 0.166 68.935 68.868 -0.165 0.000 1.046 598 T HN 0.440 nan 8.240 nan 0.000 0.553 599 H N 2.249 121.359 119.070 0.066 0.000 2.792 599 H HA 0.505 5.061 4.556 0.000 0.000 0.298 599 H C -0.642 174.734 175.328 0.079 0.000 1.042 599 H CA -0.933 55.151 56.048 0.059 0.000 1.300 599 H CB 0.771 30.578 29.762 0.075 0.000 1.431 599 H HN 0.228 nan 8.280 nan 0.000 0.496 600 Q N 1.327 121.206 119.800 0.132 0.000 2.259 600 Q HA 0.328 4.668 4.340 0.000 0.000 0.246 600 Q C -0.556 175.504 176.000 0.100 0.000 0.920 600 Q CA -1.091 54.775 55.803 0.106 0.000 0.895 600 Q CB 1.234 30.020 28.738 0.080 0.000 1.220 600 Q HN 0.471 nan 8.270 nan 0.000 0.439 601 L N 2.098 123.363 121.223 0.069 0.000 2.315 601 L HA 0.267 4.607 4.340 0.000 0.000 0.283 601 L C -0.940 175.933 176.870 0.005 0.000 1.089 601 L CA 0.474 55.337 54.840 0.037 0.000 0.833 601 L CB -0.204 41.869 42.059 0.023 0.000 1.170 601 L HN 0.650 nan 8.230 nan 0.000 0.442 602 N N 6.279 124.962 118.700 -0.030 0.000 2.524 602 N HA 0.453 5.193 4.740 0.000 0.000 0.283 602 N C -2.206 173.141 175.510 -0.273 0.000 1.142 602 N CA -1.183 51.782 53.050 -0.142 0.000 0.984 602 N CB 0.602 38.971 38.487 -0.195 0.000 1.155 602 N HN 0.569 nan 8.380 nan 0.000 0.467 603 P HA 0.065 nan 4.420 nan 0.000 0.293 603 P C -1.127 175.884 177.300 -0.482 0.000 1.304 603 P CA -0.290 62.634 63.100 -0.294 0.000 0.767 603 P CB 0.588 32.190 31.700 -0.163 0.000 1.247 604 D N -0.181 120.062 120.400 -0.262 0.000 2.352 604 D HA 0.079 4.719 4.640 0.000 0.000 0.245 604 D C 0.877 177.103 176.300 -0.123 0.000 1.224 604 D CA -0.304 53.573 54.000 -0.204 0.000 0.879 604 D CB -0.043 40.711 40.800 -0.076 0.000 1.057 604 D HN 0.165 nan 8.370 nan 0.000 0.491 605 F N 2.558 122.535 119.950 0.044 0.000 2.161 605 F HA -0.200 4.327 4.527 0.000 0.000 0.300 605 F C 2.047 177.867 175.800 0.033 0.000 1.089 605 F CA 0.172 58.202 58.000 0.050 0.000 1.282 605 F CB 0.016 39.003 39.000 -0.023 0.000 1.010 605 F HN 0.391 nan 8.300 nan 0.000 0.485 606 I N 0.449 121.125 120.570 0.177 0.000 2.233 606 I HA -0.222 3.948 4.170 0.000 0.000 0.243 606 I C 2.101 178.273 176.117 0.092 0.000 1.093 606 I CA 1.478 62.843 61.300 0.108 0.000 1.380 606 I CB -0.696 37.345 38.000 0.067 0.000 1.067 606 I HN -0.051 nan 8.210 nan 0.000 0.413 607 K N -0.184 120.257 120.400 0.069 0.000 2.147 607 K HA -0.165 4.155 4.320 0.000 0.000 0.205 607 K C 2.051 178.696 176.600 0.075 0.000 1.049 607 K CA 1.116 57.436 56.287 0.055 0.000 0.936 607 K CB -0.382 32.135 32.500 0.029 0.000 0.722 607 K HN 0.162 nan 8.250 nan 0.000 0.446 608 L N 1.184 122.471 121.223 0.106 0.000 2.017 608 L HA -0.124 4.216 4.340 0.000 0.000 0.208 608 L C 2.244 179.206 176.870 0.153 0.000 1.073 608 L CA 1.845 56.768 54.840 0.139 0.000 0.745 608 L CB -0.717 41.476 42.059 0.223 0.000 0.894 608 L HN 0.102 nan 8.230 nan 0.000 0.432 609 A N -0.702 122.222 122.820 0.173 0.000 1.883 609 A HA -0.272 4.048 4.320 0.000 0.000 0.217 609 A C 2.196 179.847 177.584 0.111 0.000 1.186 609 A CA 2.050 54.179 52.037 0.153 0.000 0.624 609 A CB -0.780 18.300 19.000 0.133 0.000 0.822 609 A HN 0.622 nan 8.150 nan 0.000 0.444 610 E N -0.475 119.780 120.200 0.092 0.000 2.077 610 E HA -0.106 4.244 4.350 0.000 0.000 0.193 610 E C 2.322 178.962 176.600 0.067 0.000 0.989 610 E CA 1.025 57.468 56.400 0.071 0.000 0.800 610 E CB -0.299 29.436 29.700 0.059 0.000 0.746 610 E HN 0.624 nan 8.360 nan 0.000 0.452 611 A N 0.920 123.781 122.820 0.069 0.000 1.940 611 A HA -0.176 4.144 4.320 0.000 0.000 0.219 611 A C 2.039 179.663 177.584 0.066 0.000 1.176 611 A CA 1.241 53.315 52.037 0.061 0.000 0.631 611 A CB -0.259 18.776 19.000 0.059 0.000 0.814 611 A HN 0.152 nan 8.150 nan 0.000 0.446 612 M N -1.479 118.170 119.600 0.082 0.000 2.619 612 M HA 0.085 4.565 4.480 0.000 0.000 0.251 612 M C 1.462 177.809 176.300 0.079 0.000 1.106 612 M CA 1.101 56.452 55.300 0.084 0.000 1.086 612 M CB -0.825 31.839 32.600 0.106 0.000 1.465 612 M HN 0.818 nan 8.290 nan 0.000 0.506 613 G N 1.604 110.448 108.800 0.074 0.000 2.134 613 G HA2 -0.185 3.775 3.960 0.000 0.000 0.209 613 G HA3 -0.185 3.775 3.960 0.000 0.000 0.209 613 G C -0.028 174.914 174.900 0.069 0.000 0.993 613 G CA 0.310 45.450 45.100 0.066 0.000 0.669 613 G HN 0.497 nan 8.290 nan 0.000 0.519 614 L N -3.218 118.053 121.223 0.080 0.000 2.257 614 L HA 0.865 5.205 4.340 0.000 0.000 0.257 614 L C 0.330 177.248 176.870 0.080 0.000 1.033 614 L CA -1.547 53.341 54.840 0.081 0.000 0.835 614 L CB 1.271 43.387 42.059 0.094 0.000 1.398 614 L HN 0.003 nan 8.230 nan 0.000 0.429 615 K N 0.155 120.603 120.400 0.080 0.000 2.326 615 K HA 0.507 4.827 4.320 0.000 0.000 0.275 615 K C -0.357 176.294 176.600 0.086 0.000 1.018 615 K CA 0.010 56.343 56.287 0.078 0.000 0.962 615 K CB 1.019 33.566 32.500 0.078 0.000 0.953 615 K HN 0.927 nan 8.250 nan 0.000 0.475 616 G N 4.290 113.133 108.800 0.071 0.000 2.544 616 G HA2 0.569 4.529 3.960 0.000 0.000 0.313 616 G HA3 0.569 4.529 3.960 0.000 0.000 0.313 616 G C -1.243 173.683 174.900 0.043 0.000 1.316 616 G CA -0.707 44.429 45.100 0.061 0.000 0.944 616 G HN 0.523 nan 8.290 nan 0.000 0.489 617 L N 1.533 122.766 121.223 0.017 0.000 2.381 617 L HA 0.715 5.055 4.340 0.000 0.000 0.268 617 L C 0.064 176.908 176.870 -0.043 0.000 0.997 617 L CA -0.996 53.841 54.840 -0.005 0.000 0.818 617 L CB 2.789 44.848 42.059 0.001 0.000 1.310 617 L HN 0.540 nan 8.230 nan 0.000 0.416 618 R N 1.553 122.036 120.500 -0.028 0.000 2.795 618 R HA 0.870 5.210 4.340 0.000 0.000 0.275 618 R C -2.049 174.228 176.300 -0.037 0.000 0.981 618 R CA -0.619 55.461 56.100 -0.034 0.000 0.917 618 R CB 2.735 33.035 30.300 0.000 0.000 1.202 618 R HN 0.415 nan 8.270 nan 0.000 0.469 619 V N 4.074 123.960 119.914 -0.047 0.000 2.711 619 V HA 0.373 4.493 4.120 0.000 0.000 0.304 619 V C -0.889 175.184 176.094 -0.034 0.000 1.097 619 V CA -0.387 61.889 62.300 -0.041 0.000 0.906 619 V CB 2.113 33.902 31.823 -0.057 0.000 1.015 619 V HN 0.994 nan 8.190 nan 0.000 0.427 620 K N 3.775 124.162 120.400 -0.022 0.000 2.436 620 K HA 0.373 4.693 4.320 0.000 0.000 0.198 620 K C 0.081 176.671 176.600 -0.017 0.000 1.174 620 K CA -0.162 56.116 56.287 -0.016 0.000 0.951 620 K CB 0.840 33.337 32.500 -0.006 0.000 1.040 620 K HN 0.489 nan 8.250 nan 0.000 0.536 621 K N 1.759 122.149 120.400 -0.017 0.000 2.172 621 K HA 0.180 4.500 4.320 0.000 0.000 0.276 621 K C 0.640 177.228 176.600 -0.021 0.000 1.013 621 K CA -0.214 56.064 56.287 -0.015 0.000 0.913 621 K CB 1.400 33.893 32.500 -0.011 0.000 1.055 621 K HN 0.025 nan 8.250 nan 0.000 0.461 622 Q N 1.671 121.459 119.800 -0.020 0.000 2.096 622 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 622 Q C 1.443 177.430 176.000 -0.022 0.000 0.982 622 Q CA 1.600 57.389 55.803 -0.024 0.000 0.850 622 Q CB 0.057 28.782 28.738 -0.020 0.000 0.901 622 Q HN 0.594 nan 8.270 nan 0.000 0.422 623 E N 0.823 121.013 120.200 -0.016 0.000 2.401 623 E HA -0.198 4.152 4.350 0.000 0.000 0.199 623 E C 0.779 177.371 176.600 -0.013 0.000 1.023 623 E CA 1.069 57.460 56.400 -0.014 0.000 0.859 623 E CB -0.076 29.618 29.700 -0.010 0.000 0.780 623 E HN 0.530 nan 8.360 nan 0.000 0.523 624 E N -0.083 120.108 120.200 -0.015 0.000 2.489 624 E HA 0.061 4.411 4.350 0.000 0.000 0.204 624 E C 1.657 178.246 176.600 -0.018 0.000 1.006 624 E CA -0.285 56.106 56.400 -0.013 0.000 0.936 624 E CB 0.132 29.825 29.700 -0.012 0.000 1.002 624 E HN 0.029 nan 8.360 nan 0.000 0.488 625 L N 1.972 123.180 121.223 -0.025 0.000 1.990 625 L HA -0.239 4.101 4.340 0.000 0.000 0.213 625 L C 1.557 178.415 176.870 -0.021 0.000 1.072 625 L CA 2.007 56.828 54.840 -0.033 0.000 0.755 625 L CB -0.341 41.693 42.059 -0.042 0.000 0.889 625 L HN 0.050 nan 8.230 nan 0.000 0.432 626 D N -0.329 120.060 120.400 -0.017 0.000 2.123 626 D HA -0.188 4.452 4.640 0.000 0.000 0.196 626 D C 2.103 178.405 176.300 0.004 0.000 0.992 626 D CA 1.616 55.611 54.000 -0.010 0.000 0.833 626 D CB -0.110 40.681 40.800 -0.015 0.000 0.954 626 D HN 0.531 nan 8.370 nan 0.000 0.455 627 A N 1.563 124.385 122.820 0.003 0.000 1.877 627 A HA -0.179 4.141 4.320 0.000 0.000 0.216 627 A C 2.119 179.719 177.584 0.027 0.000 1.186 627 A CA 1.286 53.331 52.037 0.012 0.000 0.620 627 A CB -0.215 18.790 19.000 0.008 0.000 0.822 627 A HN -0.005 nan 8.150 nan 0.000 0.443 628 K N -0.055 120.357 120.400 0.019 0.000 2.057 628 K HA -0.044 4.276 4.320 0.000 0.000 0.207 628 K C 1.923 178.569 176.600 0.077 0.000 1.049 628 K CA 1.160 57.463 56.287 0.027 0.000 0.931 628 K CB -0.768 31.722 32.500 -0.016 0.000 0.714 628 K HN 0.564 nan 8.250 nan 0.000 0.440 629 L N 0.928 122.192 121.223 0.068 0.000 2.042 629 L HA -0.212 4.128 4.340 0.000 0.000 0.210 629 L C 2.408 179.385 176.870 0.177 0.000 1.076 629 L CA 1.460 56.388 54.840 0.147 0.000 0.749 629 L CB -0.371 41.738 42.059 0.085 0.000 0.893 629 L HN 0.187 nan 8.230 nan 0.000 0.432 630 K N -0.078 120.379 120.400 0.095 0.000 2.025 630 K HA -0.227 4.093 4.320 0.000 0.000 0.207 630 K C 2.049 178.695 176.600 0.075 0.000 1.049 630 K CA 1.524 57.850 56.287 0.065 0.000 0.933 630 K CB -0.147 32.373 32.500 0.034 0.000 0.714 630 K HN 0.293 nan 8.250 nan 0.000 0.438 631 E N 0.567 120.821 120.200 0.090 0.000 2.110 631 E HA -0.219 4.131 4.350 0.000 0.000 0.193 631 E C 1.862 178.545 176.600 0.139 0.000 0.988 631 E CA 0.848 57.301 56.400 0.090 0.000 0.804 631 E CB -0.103 29.645 29.700 0.081 0.000 0.745 631 E HN 0.211 nan 8.360 nan 0.000 0.458 632 F N 1.674 121.627 119.950 0.005 0.000 2.046 632 F HA -0.221 4.306 4.527 0.000 0.000 0.297 632 F C 2.197 178.006 175.800 0.015 0.000 1.123 632 F CA 2.024 60.028 58.000 0.007 0.000 1.199 632 F CB -0.895 38.107 39.000 0.003 0.000 0.972 632 F HN 0.042 nan 8.300 nan 0.000 0.474 633 V N -0.896 118.918 119.914 -0.167 0.000 2.667 633 V HA -0.081 4.039 4.120 0.000 0.000 0.252 633 V C 2.037 178.047 176.094 -0.139 0.000 1.065 633 V CA 1.658 63.794 62.300 -0.273 0.000 1.083 633 V CB -1.514 30.237 31.823 -0.121 0.000 0.692 633 V HN 0.508 nan 8.190 nan 0.000 0.468 634 S N -0.643 115.023 115.700 -0.057 0.000 2.593 634 S HA 0.096 4.566 4.470 0.000 0.000 0.217 634 S C 0.895 175.482 174.600 -0.023 0.000 0.966 634 S CA 0.268 58.450 58.200 -0.029 0.000 0.914 634 S CB -0.875 62.323 63.200 -0.002 0.000 0.776 634 S HN 0.590 nan 8.310 nan 0.000 0.523 635 T N 2.699 117.234 114.554 -0.032 0.000 2.901 635 T HA 0.477 4.827 4.350 0.000 0.000 0.301 635 T C 1.534 176.221 174.700 -0.022 0.000 1.012 635 T CA 0.315 62.410 62.100 -0.009 0.000 1.135 635 T CB 1.361 70.238 68.868 0.015 0.000 0.936 635 T HN 0.562 nan 8.240 nan 0.000 0.539 636 K N 3.182 123.581 120.400 -0.002 0.000 1.965 636 K HA 0.175 4.495 4.320 0.000 0.000 0.214 636 K C 1.591 178.192 176.600 0.001 0.000 1.042 636 K CA 1.170 57.457 56.287 -0.000 0.000 0.950 636 K CB -1.366 31.140 32.500 0.010 0.000 0.733 636 K HN 0.815 nan 8.250 nan 0.000 0.441 637 G N 0.970 109.779 108.800 0.015 0.000 2.525 637 G HA2 0.406 4.366 3.960 0.000 0.000 0.276 637 G HA3 0.406 4.366 3.960 0.000 0.000 0.276 637 G C -2.263 172.651 174.900 0.023 0.000 1.388 637 G CA -0.188 44.926 45.100 0.023 0.000 1.050 637 G HN 0.461 nan 8.290 nan 0.000 0.520 638 P HA 0.272 nan 4.420 nan 0.000 0.271 638 P C -0.725 176.620 177.300 0.074 0.000 1.216 638 P CA 0.134 63.266 63.100 0.054 0.000 0.776 638 P CB 1.669 33.411 31.700 0.070 0.000 0.881 639 V N 4.202 124.177 119.914 0.103 0.000 3.048 639 V HA 0.534 4.655 4.120 0.000 0.000 0.303 639 V C -1.602 174.645 176.094 0.255 0.000 1.214 639 V CA -1.089 61.310 62.300 0.165 0.000 0.984 639 V CB 2.313 34.245 31.823 0.181 0.000 1.054 639 V HN 0.480 nan 8.190 nan 0.000 0.430 640 L N 5.882 127.211 121.223 0.176 0.000 2.362 640 L HA 0.804 5.144 4.340 0.000 0.000 0.275 640 L C -1.632 175.198 176.870 -0.067 0.000 0.998 640 L CA -0.782 54.092 54.840 0.055 0.000 0.820 640 L CB 1.674 43.722 42.059 -0.019 0.000 1.270 640 L HN 0.776 nan 8.230 nan 0.000 0.415 641 L N 4.608 125.634 121.223 -0.330 0.000 2.376 641 L HA 0.502 4.842 4.340 0.000 0.000 0.275 641 L C -0.834 175.782 176.870 -0.423 0.000 0.987 641 L CA 0.004 54.566 54.840 -0.462 0.000 0.828 641 L CB 1.767 43.237 42.059 -0.982 0.000 1.249 641 L HN 0.688 nan 8.230 nan 0.000 0.409 642 E N 4.189 124.232 120.200 -0.261 0.000 2.175 642 E HA 0.545 4.895 4.350 0.000 0.000 0.278 642 E C -1.645 174.858 176.600 -0.162 0.000 0.969 642 E CA -0.672 55.598 56.400 -0.217 0.000 0.796 642 E CB 1.610 31.276 29.700 -0.057 0.000 1.104 642 E HN 0.565 nan 8.360 nan 0.000 0.395 643 V N 4.948 124.764 119.914 -0.163 0.000 2.376 643 V HA 0.183 4.303 4.120 0.000 0.000 0.287 643 V C -0.359 175.694 176.094 -0.069 0.000 1.015 643 V CA -0.783 61.447 62.300 -0.116 0.000 0.834 643 V CB 1.373 33.114 31.823 -0.137 0.000 1.001 643 V HN 0.719 nan 8.190 nan 0.000 0.428 644 E N 3.468 123.647 120.200 -0.035 0.000 2.265 644 E HA 0.345 4.695 4.350 0.000 0.000 0.272 644 E C -0.149 176.438 176.600 -0.021 0.000 1.067 644 E CA -0.102 56.294 56.400 -0.007 0.000 0.900 644 E CB 1.425 31.129 29.700 0.008 0.000 1.017 644 E HN 0.648 nan 8.360 nan 0.000 0.431 645 V N 0.100 120.005 119.914 -0.014 0.000 3.103 645 V HA 0.395 4.516 4.120 0.000 0.000 0.318 645 V C 0.023 176.114 176.094 -0.005 0.000 1.114 645 V CA -1.268 61.011 62.300 -0.034 0.000 1.020 645 V CB 1.896 33.679 31.823 -0.066 0.000 1.085 645 V HN 0.403 nan 8.190 nan 0.000 0.446 646 D N 1.425 121.811 120.400 -0.023 0.000 2.455 646 D HA 0.211 4.851 4.640 0.000 0.000 0.241 646 D C 0.040 176.374 176.300 0.056 0.000 1.138 646 D CA 0.465 54.474 54.000 0.016 0.000 0.877 646 D CB 0.576 41.377 40.800 0.001 0.000 1.187 646 D HN 0.654 nan 8.370 nan 0.000 0.451 647 K N 2.406 122.857 120.400 0.085 0.000 2.087 647 K HA 0.279 4.599 4.320 0.000 0.000 0.255 647 K C 0.215 176.891 176.600 0.126 0.000 0.988 647 K CA -0.862 55.489 56.287 0.107 0.000 0.915 647 K CB 0.829 33.392 32.500 0.106 0.000 1.043 647 K HN 0.244 nan 8.250 nan 0.000 0.457 648 K N -0.405 120.065 120.400 0.117 0.000 3.096 648 K HA -0.140 4.180 4.320 0.000 0.000 0.266 648 K C -0.997 175.718 176.600 0.191 0.000 1.043 648 K CA 0.355 56.720 56.287 0.131 0.000 0.758 648 K CB -2.124 30.455 32.500 0.132 0.000 1.260 648 K HN 0.361 nan 8.250 nan 0.000 0.481 649 V N 2.515 122.571 119.914 0.236 0.000 2.333 649 V HA 0.218 4.338 4.120 0.000 0.000 0.274 649 V C -1.361 174.974 176.094 0.402 0.000 1.028 649 V CA -1.400 61.073 62.300 0.288 0.000 0.851 649 V CB 1.367 33.319 31.823 0.215 0.000 1.000 649 V HN 0.100 nan 8.190 nan 0.000 0.456 650 P HA 0.195 nan 4.420 nan 0.000 0.275 650 P C -0.485 177.018 177.300 0.339 0.000 1.227 650 P CA -0.108 63.155 63.100 0.273 0.000 0.781 650 P CB 1.518 33.350 31.700 0.220 0.000 0.906 651 V N 4.776 124.765 119.914 0.125 0.000 2.455 651 V HA 0.211 4.331 4.120 0.000 0.000 0.273 651 V C 0.730 176.941 176.094 0.195 0.000 1.045 651 V CA 0.128 62.438 62.300 0.016 0.000 0.976 651 V CB 0.030 31.451 31.823 -0.671 0.000 0.993 651 V HN 0.407 nan 8.190 nan 0.000 0.475 652 L N 7.061 128.472 121.223 0.314 0.000 2.350 652 L HA 0.621 4.961 4.340 0.000 0.000 0.260 652 L C -2.285 174.793 176.870 0.347 0.000 1.015 652 L CA -1.883 53.165 54.840 0.347 0.000 0.821 652 L CB 2.957 45.244 42.059 0.379 0.000 1.370 652 L HN 0.404 nan 8.230 nan 0.000 0.416 653 P HA 0.213 nan 4.420 nan 0.000 0.277 653 P C -1.304 176.144 177.300 0.247 0.000 1.276 653 P CA -0.460 62.773 63.100 0.222 0.000 0.788 653 P CB 1.350 33.045 31.700 -0.009 0.000 1.114 654 M N 0.029 119.739 119.600 0.183 0.000 2.378 654 M HA 0.383 4.863 4.480 0.000 0.000 0.289 654 M C -2.131 174.182 176.300 0.021 0.000 1.136 654 M CA -0.828 54.497 55.300 0.042 0.000 0.917 654 M CB 2.151 34.808 32.600 0.096 0.000 1.669 654 M HN -0.040 nan 8.290 nan 0.000 0.461 655 V N 3.938 123.810 119.914 -0.071 0.000 2.409 655 V HA 0.910 5.030 4.120 0.000 0.000 0.290 655 V C -0.456 175.621 176.094 -0.028 0.000 1.017 655 V CA -0.364 61.929 62.300 -0.011 0.000 0.841 655 V CB 0.923 32.756 31.823 0.015 0.000 1.003 655 V HN 0.958 nan 8.190 nan 0.000 0.426 656 A N 3.374 126.192 122.820 -0.003 0.000 2.530 656 A HA 1.039 5.359 4.320 0.000 0.000 0.288 656 A C 0.549 178.133 177.584 -0.000 0.000 1.172 656 A CA 0.026 52.069 52.037 0.009 0.000 0.733 656 A CB 1.369 20.321 19.000 -0.081 0.000 1.320 656 A HN 2.060 nan 8.150 nan 0.000 0.419 657 G N -0.189 108.600 108.800 -0.018 0.000 2.574 657 G HA2 0.119 4.079 3.960 0.000 0.000 0.286 657 G HA3 0.119 4.079 3.960 0.000 0.000 0.286 657 G C 0.998 175.896 174.900 -0.003 0.000 1.212 657 G CA 0.562 45.645 45.100 -0.029 0.000 0.979 657 G HN 2.191 nan 8.290 nan 0.000 0.557 658 G N 0.070 108.868 108.800 -0.003 0.000 3.440 658 G HA2 0.470 4.430 3.960 0.000 0.000 0.263 658 G HA3 0.470 4.430 3.960 0.000 0.000 0.263 658 G C 0.579 175.482 174.900 0.004 0.000 1.236 658 G CA 1.251 46.352 45.100 0.002 0.000 0.927 658 G HN 0.927 nan 8.290 nan 0.000 0.530 659 S N -0.403 115.299 115.700 0.004 0.000 2.601 659 S HA 0.585 5.055 4.470 0.000 0.000 0.271 659 S C 0.808 175.416 174.600 0.014 0.000 1.305 659 S CA -0.241 57.959 58.200 -0.000 0.000 1.022 659 S CB 1.641 64.838 63.200 -0.006 0.000 0.940 659 S HN 0.394 nan 8.310 nan 0.000 0.525 660 G N 0.449 109.256 108.800 0.011 0.000 2.477 660 G HA2 0.442 4.402 3.960 0.000 0.000 0.304 660 G HA3 0.442 4.402 3.960 0.000 0.000 0.304 660 G C 0.733 175.660 174.900 0.046 0.000 1.175 660 G CA -0.796 44.326 45.100 0.038 0.000 0.907 660 G HN 0.722 nan 8.290 nan 0.000 0.509 661 L N 0.218 121.488 121.223 0.078 0.000 2.263 661 L HA -0.092 4.248 4.340 0.000 0.000 0.216 661 L C 2.109 179.049 176.870 0.116 0.000 1.111 661 L CA 1.447 56.337 54.840 0.082 0.000 0.773 661 L CB -0.113 41.995 42.059 0.081 0.000 0.906 661 L HN 0.714 nan 8.230 nan 0.000 0.439 662 D N -0.891 119.539 120.400 0.050 0.000 2.339 662 D HA -0.091 4.549 4.640 0.000 0.000 0.217 662 D C 0.613 176.797 176.300 -0.192 0.000 1.050 662 D CA 0.204 54.210 54.000 0.009 0.000 0.856 662 D CB 0.069 40.839 40.800 -0.050 0.000 0.922 662 D HN 0.410 nan 8.370 nan 0.000 0.518 663 E N 0.771 120.885 120.200 -0.143 0.000 2.598 663 E HA 0.165 4.515 4.350 0.000 0.000 0.233 663 E C -0.340 176.128 176.600 -0.221 0.000 1.173 663 E CA -0.614 55.641 56.400 -0.242 0.000 1.473 663 E CB -0.081 29.548 29.700 -0.118 0.000 1.398 663 E HN 0.303 nan 8.360 nan 0.000 0.431 664 F N -0.686 119.198 119.950 -0.110 0.000 2.403 664 F HA 0.440 4.967 4.527 0.000 0.000 0.320 664 F C 0.217 175.969 175.800 -0.080 0.000 1.176 664 F CA -1.211 56.729 58.000 -0.101 0.000 1.206 664 F CB 0.307 39.228 39.000 -0.133 0.000 1.235 664 F HN -0.187 nan 8.300 nan 0.000 0.565 665 I N 2.251 122.950 120.570 0.215 0.000 2.321 665 I HA 0.248 4.418 4.170 0.000 0.000 0.291 665 I C -0.369 175.928 176.117 0.299 0.000 0.998 665 I CA -0.441 60.946 61.300 0.145 0.000 1.227 665 I CB 1.060 39.106 38.000 0.076 0.000 1.368 665 I HN 0.634 nan 8.210 nan 0.000 0.466 666 N N 4.770 123.641 118.700 0.286 0.000 2.477 666 N HA 0.373 5.113 4.740 0.000 0.000 0.284 666 N C -0.810 174.873 175.510 0.287 0.000 1.182 666 N CA -0.503 52.749 53.050 0.337 0.000 0.949 666 N CB 1.090 39.809 38.487 0.388 0.000 1.204 666 N HN 0.338 nan 8.380 nan 0.000 0.526 667 F N 1.303 121.373 119.950 0.200 0.000 2.471 667 F HA 0.317 4.844 4.527 0.000 0.000 0.353 667 F C -0.198 175.687 175.800 0.142 0.000 1.113 667 F CA 0.041 58.146 58.000 0.176 0.000 1.262 667 F CB 0.504 39.625 39.000 0.202 0.000 1.146 667 F HN 0.329 nan 8.300 nan 0.000 0.578 668 D N 7.976 127.763 120.400 -1.021 0.000 2.763 668 D HA 0.201 4.841 4.640 0.000 0.000 0.235 668 D C -2.163 173.536 176.300 -1.003 0.000 1.334 668 D CA -1.633 51.883 54.000 -0.806 0.000 0.950 668 D CB 2.543 43.162 40.800 -0.302 0.000 1.433 668 D HN 0.239 nan 8.370 nan 0.000 0.580 669 P HA -0.177 nan 4.420 nan 0.000 0.215 669 P C 1.042 178.252 177.300 -0.150 0.000 1.153 669 P CA 1.065 63.968 63.100 -0.329 0.000 0.853 669 P CB 0.739 32.397 31.700 -0.069 0.000 0.788 670 E N 0.299 120.412 120.200 -0.144 0.000 2.072 670 E HA -0.097 4.253 4.350 0.000 0.000 0.191 670 E C 2.020 178.578 176.600 -0.070 0.000 0.985 670 E CA 0.878 57.231 56.400 -0.078 0.000 0.801 670 E CB -1.273 28.388 29.700 -0.066 0.000 0.750 670 E HN -0.048 nan 8.360 nan 0.000 0.452 671 V N 0.949 120.801 119.914 -0.103 0.000 2.407 671 V HA -0.229 3.891 4.120 0.000 0.000 0.248 671 V C 2.430 178.513 176.094 -0.019 0.000 1.055 671 V CA 2.171 64.434 62.300 -0.062 0.000 1.049 671 V CB -0.556 31.221 31.823 -0.077 0.000 0.662 671 V HN 0.383 nan 8.190 nan 0.000 0.455 672 E N 0.184 120.373 120.200 -0.019 0.000 2.106 672 E HA -0.216 4.134 4.350 0.000 0.000 0.192 672 E C 2.469 179.107 176.600 0.064 0.000 0.984 672 E CA 1.081 57.529 56.400 0.079 0.000 0.806 672 E CB -0.015 29.796 29.700 0.184 0.000 0.750 672 E HN 0.541 nan 8.360 nan 0.000 0.458 673 R N 0.078 120.594 120.500 0.027 0.000 2.092 673 R HA -0.134 4.206 4.340 0.000 0.000 0.231 673 R C 2.530 178.823 176.300 -0.011 0.000 1.119 673 R CA 1.510 57.614 56.100 0.006 0.000 0.970 673 R CB -0.237 30.060 30.300 -0.005 0.000 0.864 673 R HN 0.340 nan 8.270 nan 0.000 0.440 674 Q N 0.295 120.091 119.800 -0.007 0.000 2.050 674 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 674 Q C 2.230 178.233 176.000 0.006 0.000 0.980 674 Q CA 1.034 56.831 55.803 -0.009 0.000 0.840 674 Q CB -0.021 28.712 28.738 -0.009 0.000 0.898 674 Q HN 0.270 nan 8.270 nan 0.000 0.424 675 Q N -0.017 119.809 119.800 0.043 0.000 2.135 675 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 675 Q C 2.135 178.192 176.000 0.096 0.000 0.981 675 Q CA 1.591 57.455 55.803 0.101 0.000 0.856 675 Q CB -0.496 28.335 28.738 0.155 0.000 0.902 675 Q HN 0.393 nan 8.270 nan 0.000 0.425 676 T N 1.012 115.604 114.554 0.063 0.000 2.746 676 T HA -0.157 4.193 4.350 0.000 0.000 0.267 676 T C 1.718 176.347 174.700 -0.118 0.000 1.039 676 T CA 1.547 63.663 62.100 0.026 0.000 1.142 676 T CB -0.066 68.782 68.868 -0.034 0.000 0.866 676 T HN 0.201 nan 8.240 nan 0.000 0.444 677 E N 0.680 120.803 120.200 -0.129 0.000 2.152 677 E HA -0.007 4.343 4.350 0.000 0.000 0.192 677 E C 1.870 178.440 176.600 -0.051 0.000 0.983 677 E CA 0.402 56.719 56.400 -0.139 0.000 0.818 677 E CB -0.402 29.244 29.700 -0.091 0.000 0.758 677 E HN 0.310 nan 8.360 nan 0.000 0.467 678 L N 0.475 121.663 121.223 -0.060 0.000 2.109 678 L HA 0.020 4.360 4.340 0.000 0.000 0.207 678 L C 2.317 179.044 176.870 -0.238 0.000 1.086 678 L CA 1.660 56.423 54.840 -0.129 0.000 0.760 678 L CB -0.376 41.597 42.059 -0.144 0.000 0.910 678 L HN 0.022 nan 8.230 nan 0.000 0.437 679 R N -1.820 118.580 120.500 -0.167 0.000 2.075 679 R HA -0.191 4.149 4.340 0.000 0.000 0.232 679 R C 2.282 178.680 176.300 0.164 0.000 1.126 679 R CA 1.578 57.654 56.100 -0.039 0.000 0.963 679 R CB -0.305 30.189 30.300 0.322 0.000 0.858 679 R HN 0.436 nan 8.270 nan 0.000 0.435 680 H N 0.430 119.510 119.070 0.017 0.000 2.319 680 H HA -0.124 4.432 4.556 0.000 0.000 0.299 680 H C 1.953 177.285 175.328 0.006 0.000 1.092 680 H CA 1.996 58.062 56.048 0.029 0.000 1.302 680 H CB -0.170 29.605 29.762 0.021 0.000 1.373 680 H HN 0.220 nan 8.280 nan 0.000 0.497 681 K N 0.898 121.367 120.400 0.115 0.000 2.026 681 K HA -0.145 4.175 4.320 0.000 0.000 0.208 681 K C 2.189 178.803 176.600 0.023 0.000 1.048 681 K CA 1.415 57.729 56.287 0.045 0.000 0.929 681 K CB 0.045 32.552 32.500 0.012 0.000 0.713 681 K HN 0.155 nan 8.250 nan 0.000 0.439 682 R N -0.170 120.329 120.500 -0.002 0.000 2.115 682 R HA -0.060 4.280 4.340 0.000 0.000 0.230 682 R C 1.893 178.220 176.300 0.046 0.000 1.111 682 R CA 1.771 57.871 56.100 0.001 0.000 0.976 682 R CB -0.166 30.100 30.300 -0.056 0.000 0.870 682 R HN 0.451 nan 8.270 nan 0.000 0.445 683 T N -3.230 111.372 114.554 0.080 0.000 3.163 683 T HA 0.208 4.558 4.350 0.000 0.000 0.252 683 T C 1.125 175.841 174.700 0.027 0.000 1.056 683 T CA 0.288 62.451 62.100 0.104 0.000 0.947 683 T CB 0.831 69.833 68.868 0.223 0.000 1.016 683 T HN 0.347 nan 8.240 nan 0.000 0.554 684 G N 0.790 109.599 108.800 0.016 0.000 2.225 684 G HA2 0.062 4.022 3.960 0.000 0.000 0.267 684 G HA3 0.062 4.022 3.960 0.000 0.000 0.267 684 G C 1.117 175.993 174.900 -0.039 0.000 1.024 684 G CA 0.417 45.513 45.100 -0.006 0.000 0.784 684 G HN 1.794 nan 8.290 nan 0.000 0.507 685 G N -1.931 106.830 108.800 -0.065 0.000 2.199 685 G HA2 0.083 4.043 3.960 0.000 0.000 0.254 685 G HA3 0.083 4.043 3.960 0.000 0.000 0.254 685 G C 1.481 176.236 174.900 -0.243 0.000 0.982 685 G CA 1.594 46.607 45.100 -0.144 0.000 0.632 685 G HN 1.965 nan 8.290 nan 0.000 0.529 686 K N -0.268 119.989 120.400 -0.237 0.000 2.097 686 K HA 0.132 4.452 4.320 0.000 0.000 0.206 686 K C 1.184 177.376 176.600 -0.680 0.000 1.049 686 K CA 1.945 57.978 56.287 -0.424 0.000 0.933 686 K CB -0.382 31.873 32.500 -0.408 0.000 0.717 686 K HN 0.769 nan 8.250 nan 0.000 0.442 687 H N 0.000 118.971 119.070 -0.164 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 55.950 56.048 -0.164 0.000 1.023 687 H CB 0.000 29.709 29.762 -0.088 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496