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 2w4a_1_M DATA FIRST_RESID 4 DATA SEQUENCE DAEMAAFGEA APYLRKSEKE RIEAQNKPFD AKSSVFVVHP KESFVKGTIQ DATA SEQUENCE SKEGGKVTVK TEGGETLTVK EDQVFSMNPP KYDKIEDMAM MTHLHEPAVL DATA SEQUENCE YNLKERYAAW MIYTYSGLFC VTVNPYKWLP VYNPKVVLAY RGKKRQEAPP DATA SEQUENCE HIFSISDNAY QFMLTDRENQ SILITGESGA GKTVNTKRVI QYFATIAASG DATA SEQUENCE EXXXXXXXXX XXXXLEDQII SANPLLEAFG NAKTVRNDNS SRFGKFIRIH DATA SEQUENCE FGATGKLASA DIETYLLEKS RVTFQLPAER SYHIFYQIMS NKKPELIDML DATA SEQUENCE LITTNPYDYH YVSQGEITVP SIDDQEELMA TDSAIDILGF SADEKTAIYK DATA SEQUENCE LTGAVMHYGN LKFKQKQREE QAEPDGTEVA DKAAYLMGLN SAELLKALCY DATA SEQUENCE PRVKVGNEFV TKGQTVSQVH NSVGALAKAV YEKMFLWMVI RINQQLDTKQ DATA SEQUENCE PRQYFIGVLD IAGFEIFDFN SFEQLCINFT NEKLQQFFNH HMFVLEQEEY DATA SEQUENCE KKEGIEWEFI DFGMDLAACI ELIEKPMGIF SILEEECMFP KATDTSFKNK DATA SEQUENCE LYDQHLGKSN NFQKPKPAXX XAEAHFSLVH YAGTVDYNIS GWLEKNKDPL DATA SEQUENCE NETVIGLYQK SSVKTLALLF ATYXXXXXXX XXXXXXXXXX XXXQTVSALF DATA SEQUENCE RENLNKLMAN LRSTHPHFVR CIIPNETKTP GAMEHELVLH QLRCNGVLEG DATA SEQUENCE IRICRKGFPS RVLYADFKQR YRVLNASAIP EGQFMDSKKA SEKLLGSIDV DATA SEQUENCE DHTQYRFGHT KVFFKAGLLG LLEEMRDDKL AEIITRTQAR CRGFLMRVEY DATA SEQUENCE RRMVERRESI FCIQYNVRSF MNVKHWPWMK LFFKIKPLLK 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.317 176.300 0.028 0.000 2.045 4 D CA 0.000 54.010 54.000 0.016 0.000 0.868 4 D CB 0.000 40.804 40.800 0.007 0.000 0.688 5 A N 1.342 124.175 122.820 0.023 0.000 1.865 5 A HA -0.219 4.100 4.320 -0.002 0.000 0.217 5 A C 1.866 179.470 177.584 0.034 0.000 1.191 5 A CA 2.140 54.191 52.037 0.023 0.000 0.623 5 A CB -0.657 18.353 19.000 0.016 0.000 0.826 5 A HN 0.299 nan 8.150 nan 0.000 0.444 6 E N -0.225 120.000 120.200 0.042 0.000 2.021 6 E HA -0.150 4.198 4.350 -0.002 0.000 0.200 6 E C 0.348 177.013 176.600 0.108 0.000 1.015 6 E CA 0.909 57.347 56.400 0.063 0.000 0.824 6 E CB -0.325 29.418 29.700 0.071 0.000 0.762 6 E HN 0.557 nan 8.360 nan 0.000 0.454 7 M N 0.082 119.770 119.600 0.146 0.000 2.390 7 M HA 0.042 4.521 4.480 -0.002 0.000 0.353 7 M C 0.361 176.761 176.300 0.168 0.000 1.623 7 M CA 0.458 55.910 55.300 0.253 0.000 1.065 7 M CB 0.681 33.379 32.600 0.164 0.000 2.025 7 M HN 0.223 nan 8.290 nan 0.000 0.461 8 A N 3.038 125.955 122.820 0.162 0.000 1.429 8 A HA 0.397 4.716 4.320 -0.002 0.000 0.212 8 A C 1.786 179.368 177.584 -0.002 0.000 1.863 8 A CA 0.539 52.613 52.037 0.062 0.000 1.494 8 A CB -0.924 18.084 19.000 0.014 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.249 122.974 122.820 -0.157 0.000 1.896 9 A HA -0.087 4.232 4.320 -0.002 0.000 0.220 9 A C 1.901 179.276 177.584 -0.350 0.000 1.206 9 A CA 2.314 54.122 52.037 -0.382 0.000 0.647 9 A CB -1.043 17.515 19.000 -0.737 0.000 0.828 9 A HN 0.722 nan 8.150 nan 0.000 0.455 10 F N -1.143 118.795 119.950 -0.020 0.000 2.094 10 F HA 0.291 4.817 4.527 -0.002 0.000 0.291 10 F C 2.499 178.319 175.800 0.034 0.000 1.109 10 F CA 0.817 58.827 58.000 0.016 0.000 1.221 10 F CB -1.225 37.784 39.000 0.015 0.000 1.014 10 F HN 0.474 nan 8.300 nan 0.000 0.473 11 G N 0.470 109.447 108.800 0.295 0.000 3.773 11 G HA2 -0.528 3.430 3.960 -0.002 0.000 0.355 11 G HA3 -0.528 3.430 3.960 -0.002 0.000 0.355 11 G C 1.270 176.257 174.900 0.145 0.000 1.323 11 G CA 1.282 46.480 45.100 0.163 0.000 1.103 11 G HN 0.334 nan 8.290 nan 0.000 0.716 12 E N 1.047 121.336 120.200 0.149 0.000 2.160 12 E HA 0.201 4.549 4.350 -0.002 0.000 0.195 12 E C 2.860 179.581 176.600 0.202 0.000 0.991 12 E CA 1.973 58.467 56.400 0.156 0.000 0.810 12 E CB -0.382 29.416 29.700 0.165 0.000 0.742 12 E HN 0.761 nan 8.360 nan 0.000 0.466 13 A N 0.293 123.263 122.820 0.250 0.000 2.021 13 A HA 0.159 4.478 4.320 -0.002 0.000 0.216 13 A C 2.283 179.974 177.584 0.178 0.000 1.163 13 A CA 1.037 53.258 52.037 0.306 0.000 0.676 13 A CB -0.537 18.663 19.000 0.333 0.000 0.818 13 A HN 0.295 nan 8.150 nan 0.000 0.453 14 A N 1.262 124.137 122.820 0.092 0.000 1.916 14 A HA -0.240 4.079 4.320 -0.002 0.000 0.224 14 A C 0.254 177.754 177.584 -0.139 0.000 1.366 14 A CA 2.467 54.463 52.037 -0.068 0.000 0.692 14 A CB -2.073 16.923 19.000 -0.007 0.000 0.841 14 A HN 0.482 nan 8.150 nan 0.000 0.480 15 P HA -0.149 nan 4.420 nan 0.000 0.220 15 P C 0.524 177.588 177.300 -0.393 0.000 1.144 15 P CA 1.385 64.263 63.100 -0.370 0.000 0.800 15 P CB -0.256 31.120 31.700 -0.539 0.000 0.772 16 Y N -2.443 117.859 120.300 0.003 0.000 2.462 16 Y HA 0.146 4.695 4.550 -0.002 0.000 0.261 16 Y C 1.951 177.835 175.900 -0.027 0.000 1.146 16 Y CA 0.027 58.132 58.100 0.008 0.000 1.283 16 Y CB -0.316 38.141 38.460 -0.005 0.000 1.090 16 Y HN -0.166 nan 8.280 nan 0.000 0.526 17 L N -1.001 120.238 121.223 0.026 0.000 2.435 17 L HA 0.296 4.635 4.340 -0.002 0.000 0.195 17 L C 0.732 177.554 176.870 -0.081 0.000 1.072 17 L CA 0.775 55.581 54.840 -0.055 0.000 0.833 17 L CB -0.133 41.784 42.059 -0.237 0.000 1.081 17 L HN -0.104 nan 8.230 nan 0.000 0.485 18 R N -1.111 119.316 120.500 -0.123 0.000 2.836 18 R HA 0.448 4.787 4.340 -0.002 0.000 0.269 18 R C -0.869 175.383 176.300 -0.080 0.000 1.010 18 R CA -0.859 55.183 56.100 -0.096 0.000 0.930 18 R CB 1.910 32.133 30.300 -0.128 0.000 1.218 18 R HN -0.268 nan 8.270 nan 0.000 0.473 19 K N 0.469 120.837 120.400 -0.053 0.000 2.166 19 K HA 0.246 4.565 4.320 -0.002 0.000 0.245 19 K C -0.498 176.079 176.600 -0.039 0.000 0.967 19 K CA -0.421 55.839 56.287 -0.046 0.000 0.863 19 K CB 1.865 34.348 32.500 -0.029 0.000 1.107 19 K HN 0.722 nan 8.250 nan 0.000 0.436 20 S N 0.147 115.826 115.700 -0.035 0.000 2.558 20 S HA -0.051 4.418 4.470 -0.002 0.000 0.288 20 S C 0.972 175.560 174.600 -0.019 0.000 1.318 20 S CA 0.124 58.309 58.200 -0.025 0.000 1.056 20 S CB 0.428 63.616 63.200 -0.021 0.000 0.853 20 S HN 0.608 nan 8.310 nan 0.000 0.505 21 E N 1.818 122.009 120.200 -0.015 0.000 2.516 21 E HA -0.175 4.174 4.350 -0.002 0.000 0.206 21 E C 1.212 177.806 176.600 -0.012 0.000 1.107 21 E CA 1.284 57.677 56.400 -0.012 0.000 0.903 21 E CB -0.126 29.569 29.700 -0.008 0.000 0.838 21 E HN 0.850 nan 8.360 nan 0.000 0.574 22 K N -2.180 118.213 120.400 -0.011 0.000 2.474 22 K HA 0.170 4.489 4.320 -0.002 0.000 0.202 22 K C 1.565 178.158 176.600 -0.011 0.000 1.248 22 K CA -0.126 56.155 56.287 -0.010 0.000 0.946 22 K CB 0.106 32.602 32.500 -0.008 0.000 1.102 22 K HN -0.109 nan 8.250 nan 0.000 0.541 23 E N 1.348 121.541 120.200 -0.012 0.000 2.153 23 E HA -0.069 4.279 4.350 -0.002 0.000 0.194 23 E C 1.831 178.424 176.600 -0.012 0.000 0.988 23 E CA 1.120 57.514 56.400 -0.011 0.000 0.811 23 E CB 0.139 29.831 29.700 -0.013 0.000 0.746 23 E HN 0.242 nan 8.360 nan 0.000 0.466 24 R N 0.236 120.727 120.500 -0.015 0.000 2.070 24 R HA -0.067 4.272 4.340 -0.002 0.000 0.227 24 R C 2.466 178.753 176.300 -0.022 0.000 1.147 24 R CA 1.253 57.343 56.100 -0.018 0.000 0.924 24 R CB -0.456 29.834 30.300 -0.018 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.387 121.945 120.570 -0.021 0.000 2.185 25 I HA -0.308 3.861 4.170 -0.002 0.000 0.246 25 I C 1.846 177.951 176.117 -0.020 0.000 1.088 25 I CA 1.636 62.923 61.300 -0.022 0.000 1.347 25 I CB -0.510 37.479 38.000 -0.017 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.398 120.589 120.200 -0.015 0.000 2.418 26 E HA -0.089 4.259 4.350 -0.002 0.000 0.197 26 E C 2.050 178.644 176.600 -0.011 0.000 1.026 26 E CA 0.885 57.279 56.400 -0.010 0.000 0.862 26 E CB 0.054 29.751 29.700 -0.006 0.000 0.799 26 E HN 0.541 nan 8.360 nan 0.000 0.518 27 A N 0.709 123.519 122.820 -0.017 0.000 1.973 27 A HA -0.040 4.279 4.320 -0.002 0.000 0.210 27 A C 1.947 179.507 177.584 -0.039 0.000 1.200 27 A CA 0.185 52.210 52.037 -0.019 0.000 0.707 27 A CB 0.097 19.089 19.000 -0.015 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.433 120.201 119.800 -0.054 0.000 2.187 28 Q HA 0.027 4.366 4.340 -0.002 0.000 0.199 28 Q C -0.275 175.676 176.000 -0.081 0.000 0.957 28 Q CA 0.565 56.315 55.803 -0.090 0.000 0.857 28 Q CB -0.072 28.607 28.738 -0.099 0.000 0.929 28 Q HN 0.489 nan 8.270 nan 0.000 0.453 29 N N 2.368 121.039 118.700 -0.049 0.000 2.949 29 N HA 0.143 4.881 4.740 -0.002 0.000 0.243 29 N C -0.848 174.654 175.510 -0.013 0.000 1.113 29 N CA 0.072 53.102 53.050 -0.033 0.000 0.980 29 N CB 0.733 39.203 38.487 -0.028 0.000 1.256 29 N HN 0.244 nan 8.380 nan 0.000 0.508 30 K N -0.549 119.849 120.400 -0.003 0.000 2.533 30 K HA 0.628 4.947 4.320 -0.002 0.000 0.272 30 K C -3.050 173.585 176.600 0.058 0.000 0.985 30 K CA -1.363 54.937 56.287 0.023 0.000 0.876 30 K CB 0.910 33.424 32.500 0.024 0.000 1.452 30 K HN -0.153 nan 8.250 nan 0.000 0.439 31 P HA 0.185 nan 4.420 nan 0.000 0.268 31 P C -1.525 175.879 177.300 0.173 0.000 1.204 31 P CA 0.078 63.227 63.100 0.082 0.000 0.768 31 P CB 0.081 31.802 31.700 0.037 0.000 0.842 32 F N 1.602 121.532 119.950 -0.032 0.000 2.574 32 F HA 0.253 4.779 4.527 -0.002 0.000 0.313 32 F C -0.805 174.974 175.800 -0.036 0.000 1.130 32 F CA -0.797 57.180 58.000 -0.039 0.000 0.936 32 F CB 1.978 40.956 39.000 -0.038 0.000 1.219 32 F HN 0.153 nan 8.300 nan 0.000 0.445 33 D N 4.720 124.708 120.400 -0.687 0.000 2.479 33 D HA 0.413 5.052 4.640 -0.002 0.000 0.247 33 D C 0.829 176.781 176.300 -0.580 0.000 1.119 33 D CA 0.298 54.026 54.000 -0.454 0.000 0.922 33 D CB 1.713 42.340 40.800 -0.290 0.000 1.014 33 D HN 0.725 nan 8.370 nan 0.000 0.510 34 A N 4.199 126.822 122.820 -0.328 0.000 1.859 34 A HA -0.258 4.061 4.320 -0.002 0.000 0.218 34 A C 1.897 179.411 177.584 -0.116 0.000 1.209 34 A CA 1.432 53.397 52.037 -0.121 0.000 0.639 34 A CB -0.290 18.779 19.000 0.116 0.000 0.835 34 A HN 0.546 nan 8.150 nan 0.000 0.450 35 K N 0.160 120.515 120.400 -0.076 0.000 2.362 35 K HA -0.142 4.177 4.320 -0.002 0.000 0.202 35 K C 1.847 178.396 176.600 -0.085 0.000 1.045 35 K CA 1.638 57.892 56.287 -0.054 0.000 0.936 35 K CB -0.283 32.194 32.500 -0.038 0.000 0.747 35 K HN 0.694 nan 8.250 nan 0.000 0.467 36 S N -0.088 115.524 115.700 -0.147 0.000 2.665 36 S HA 0.022 4.491 4.470 -0.002 0.000 0.240 36 S C 0.766 175.258 174.600 -0.181 0.000 1.081 36 S CA -0.562 57.552 58.200 -0.144 0.000 0.887 36 S CB 0.127 63.245 63.200 -0.137 0.000 0.805 36 S HN 0.122 nan 8.310 nan 0.000 0.486 37 S N 1.816 117.340 115.700 -0.293 0.000 2.533 37 S HA 0.623 5.092 4.470 -0.002 0.000 0.282 37 S C -0.311 174.150 174.600 -0.231 0.000 1.304 37 S CA -0.519 57.487 58.200 -0.324 0.000 1.063 37 S CB 1.138 64.011 63.200 -0.545 0.000 0.881 37 S HN 0.319 nan 8.310 nan 0.000 0.493 38 V N 1.958 121.727 119.914 -0.241 0.000 3.258 38 V HA 0.515 4.634 4.120 -0.002 0.000 0.299 38 V C -1.458 174.448 176.094 -0.313 0.000 1.376 38 V CA -0.916 61.258 62.300 -0.211 0.000 1.063 38 V CB 2.071 33.848 31.823 -0.077 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.170 121.108 119.950 -0.020 0.000 2.425 39 F HA 0.857 5.383 4.527 -0.002 0.000 0.331 39 F C 0.139 176.048 175.800 0.183 0.000 1.085 39 F CA -0.550 57.437 58.000 -0.021 0.000 1.028 39 F CB 1.887 40.773 39.000 -0.191 0.000 1.177 39 F HN 0.230 nan 8.300 nan 0.000 0.487 40 V N 2.432 122.664 119.914 0.529 0.000 3.178 40 V HA 0.489 4.607 4.120 -0.002 0.000 0.302 40 V C -0.965 175.497 176.094 0.612 0.000 1.262 40 V CA -0.922 61.684 62.300 0.511 0.000 1.030 40 V CB 2.580 34.563 31.823 0.266 0.000 1.074 40 V HN 0.486 nan 8.190 nan 0.000 0.438 41 V N 3.812 124.012 119.914 0.477 0.000 3.139 41 V HA 0.344 4.462 4.120 -0.002 0.000 0.307 41 V C -0.332 175.888 176.094 0.211 0.000 1.095 41 V CA 0.384 62.821 62.300 0.228 0.000 1.160 41 V CB 1.021 32.942 31.823 0.163 0.000 1.003 41 V HN 0.999 nan 8.190 nan 0.000 0.489 42 H N 5.142 124.188 119.070 -0.039 0.000 3.188 42 H HA 0.301 4.856 4.556 -0.002 0.000 0.325 42 H C -2.401 172.915 175.328 -0.020 0.000 1.033 42 H CA -1.587 54.468 56.048 0.012 0.000 1.443 42 H CB 2.190 31.999 29.762 0.079 0.000 1.968 42 H HN 0.303 nan 8.280 nan 0.000 0.449 43 P HA -0.183 nan 4.420 nan 0.000 0.217 43 P C 1.026 178.463 177.300 0.228 0.000 1.158 43 P CA 1.615 64.815 63.100 0.167 0.000 0.887 43 P CB 0.766 32.494 31.700 0.045 0.000 0.792 44 K N -0.718 119.933 120.400 0.418 0.000 2.056 44 K HA 0.059 4.378 4.320 -0.002 0.000 0.205 44 K C 0.945 177.521 176.600 -0.040 0.000 1.035 44 K CA 0.686 57.068 56.287 0.159 0.000 0.955 44 K CB -0.156 32.449 32.500 0.174 0.000 0.769 44 K HN 0.105 nan 8.250 nan 0.000 0.447 45 E N 0.151 120.115 120.200 -0.393 0.000 2.283 45 E HA 0.097 4.446 4.350 -0.002 0.000 0.278 45 E C 0.408 176.921 176.600 -0.145 0.000 1.027 45 E CA -0.267 55.940 56.400 -0.321 0.000 0.843 45 E CB 1.634 31.096 29.700 -0.397 0.000 1.062 45 E HN 0.094 nan 8.360 nan 0.000 0.401 46 S N 2.383 118.097 115.700 0.024 0.000 2.389 46 S HA -0.159 4.309 4.470 -0.002 0.000 0.229 46 S C 0.019 174.459 174.600 -0.267 0.000 1.048 46 S CA 1.464 59.611 58.200 -0.088 0.000 1.117 46 S CB -0.033 63.152 63.200 -0.024 0.000 1.020 46 S HN 0.379 nan 8.310 nan 0.000 0.430 47 F N -0.947 119.103 119.950 0.166 0.000 2.607 47 F HA 0.573 5.099 4.527 -0.002 0.000 0.322 47 F C -0.279 175.735 175.800 0.357 0.000 1.176 47 F CA -0.710 57.421 58.000 0.219 0.000 0.977 47 F CB 1.543 40.607 39.000 0.106 0.000 1.242 47 F HN -0.087 nan 8.300 nan 0.000 0.465 48 V N 3.655 123.883 119.914 0.524 0.000 3.113 48 V HA 0.660 4.779 4.120 -0.002 0.000 0.316 48 V C -0.996 175.289 176.094 0.319 0.000 1.125 48 V CA -0.893 61.674 62.300 0.446 0.000 1.026 48 V CB 2.388 34.417 31.823 0.343 0.000 1.080 48 V HN 0.697 nan 8.190 nan 0.000 0.444 49 K N 2.427 122.908 120.400 0.135 0.000 2.087 49 K HA 0.867 5.186 4.320 -0.002 0.000 0.255 49 K C -0.108 176.488 176.600 -0.007 0.000 0.988 49 K CA -0.178 56.091 56.287 -0.030 0.000 0.915 49 K CB 1.497 33.836 32.500 -0.267 0.000 1.043 49 K HN 1.038 nan 8.250 nan 0.000 0.457 50 G N -0.089 108.667 108.800 -0.075 0.000 2.550 50 G HA2 0.395 4.354 3.960 -0.002 0.000 0.293 50 G HA3 0.395 4.354 3.960 -0.002 0.000 0.293 50 G C -1.503 173.341 174.900 -0.093 0.000 1.402 50 G CA -0.694 44.377 45.100 -0.047 0.000 0.784 50 G HN 0.397 nan 8.290 nan 0.000 0.482 51 T N 1.347 115.858 114.554 -0.071 0.000 2.797 51 T HA 0.482 4.831 4.350 -0.002 0.000 0.279 51 T C 0.135 174.797 174.700 -0.063 0.000 0.991 51 T CA -0.402 61.645 62.100 -0.089 0.000 0.979 51 T CB 1.221 70.036 68.868 -0.088 0.000 0.943 51 T HN 0.372 nan 8.240 nan 0.000 0.444 52 I N 3.850 124.378 120.570 -0.070 0.000 2.533 52 I HA 0.117 4.286 4.170 -0.002 0.000 0.284 52 I C 1.358 177.448 176.117 -0.045 0.000 1.109 52 I CA 0.059 61.329 61.300 -0.049 0.000 1.412 52 I CB 0.420 38.391 38.000 -0.049 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.047 123.828 119.800 -0.032 0.000 2.240 53 Q HA 0.117 4.455 4.340 -0.002 0.000 0.194 53 Q C 0.710 176.695 176.000 -0.025 0.000 0.982 53 Q CA 0.835 56.621 55.803 -0.028 0.000 0.842 53 Q CB 0.091 28.816 28.738 -0.022 0.000 0.941 53 Q HN 0.821 nan 8.270 nan 0.000 0.516 54 S N -0.383 115.305 115.700 -0.020 0.000 2.837 54 S HA 0.682 5.150 4.470 -0.002 0.000 0.314 54 S C -0.766 173.825 174.600 -0.016 0.000 1.098 54 S CA -0.774 57.416 58.200 -0.017 0.000 0.903 54 S CB 2.081 65.273 63.200 -0.014 0.000 1.310 54 S HN 0.044 nan 8.310 nan 0.000 0.581 55 K N 0.410 120.802 120.400 -0.013 0.000 2.687 55 K HA 0.266 4.585 4.320 -0.002 0.000 0.249 55 K C -0.764 175.831 176.600 -0.008 0.000 0.994 55 K CA -0.070 56.210 56.287 -0.011 0.000 0.913 55 K CB 1.404 33.898 32.500 -0.011 0.000 1.202 55 K HN 0.589 nan 8.250 nan 0.000 0.460 56 E N 1.923 122.119 120.200 -0.008 0.000 2.365 56 E HA 0.027 4.376 4.350 -0.002 0.000 0.188 56 E C 0.823 177.421 176.600 -0.003 0.000 1.102 56 E CA 0.535 56.931 56.400 -0.005 0.000 0.927 56 E CB 0.411 30.108 29.700 -0.006 0.000 1.073 56 E HN 1.048 nan 8.360 nan 0.000 0.467 57 G N 0.560 109.358 108.800 -0.003 0.000 2.245 57 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.264 57 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.264 57 G C 0.796 175.696 174.900 0.001 0.000 0.985 57 G CA 0.262 45.362 45.100 -0.000 0.000 0.625 57 G HN 0.578 nan 8.290 nan 0.000 0.536 58 G N -1.021 107.778 108.800 -0.002 0.000 4.782 58 G HA2 0.426 4.385 3.960 -0.002 0.000 0.221 58 G HA3 0.426 4.385 3.960 -0.002 0.000 0.221 58 G C -0.275 174.622 174.900 -0.006 0.000 0.706 58 G CA 0.488 45.586 45.100 -0.002 0.000 1.108 58 G HN 0.668 nan 8.290 nan 0.000 0.722 59 K N -0.349 120.047 120.400 -0.008 0.000 2.512 59 K HA 0.808 5.127 4.320 -0.002 0.000 0.263 59 K C -1.290 175.302 176.600 -0.013 0.000 0.966 59 K CA -0.863 55.419 56.287 -0.010 0.000 0.851 59 K CB 3.399 35.895 32.500 -0.007 0.000 1.395 59 K HN -0.006 nan 8.250 nan 0.000 0.440 60 V N 1.140 121.046 119.914 -0.014 0.000 2.808 60 V HA 0.422 4.541 4.120 -0.002 0.000 0.308 60 V C -1.063 175.023 176.094 -0.012 0.000 1.099 60 V CA -0.876 61.415 62.300 -0.015 0.000 0.920 60 V CB 2.291 34.102 31.823 -0.020 0.000 1.014 60 V HN 0.922 nan 8.190 nan 0.000 0.425 61 T N 2.403 116.949 114.554 -0.013 0.000 2.771 61 T HA 0.815 5.164 4.350 -0.002 0.000 0.281 61 T C -0.540 174.152 174.700 -0.012 0.000 0.982 61 T CA -0.672 61.420 62.100 -0.012 0.000 0.978 61 T CB 1.641 70.501 68.868 -0.012 0.000 0.930 61 T HN 0.404 nan 8.240 nan 0.000 0.447 62 V N 2.218 122.127 119.914 -0.008 0.000 2.876 62 V HA 0.536 4.655 4.120 -0.002 0.000 0.312 62 V C 0.138 176.231 176.094 -0.002 0.000 1.085 62 V CA -1.239 61.057 62.300 -0.006 0.000 0.945 62 V CB 2.335 34.161 31.823 0.005 0.000 1.017 62 V HN 0.846 nan 8.190 nan 0.000 0.428 63 K N 0.598 120.994 120.400 -0.007 0.000 2.117 63 K HA 0.665 4.984 4.320 -0.002 0.000 0.240 63 K C -0.266 176.342 176.600 0.014 0.000 1.031 63 K CA -0.246 56.041 56.287 -0.001 0.000 0.909 63 K CB 1.204 33.698 32.500 -0.010 0.000 1.097 63 K HN 0.892 nan 8.250 nan 0.000 0.492 64 T N 0.492 115.062 114.554 0.026 0.000 2.858 64 T HA 0.214 4.563 4.350 -0.002 0.000 0.285 64 T C -1.087 173.638 174.700 0.042 0.000 1.052 64 T CA -0.711 61.421 62.100 0.053 0.000 1.009 64 T CB 1.238 70.158 68.868 0.086 0.000 1.241 64 T HN 0.459 nan 8.240 nan 0.000 0.542 65 E N 0.552 120.789 120.200 0.062 0.000 2.267 65 E HA 0.475 4.824 4.350 -0.002 0.000 0.241 65 E C 0.310 176.955 176.600 0.074 0.000 0.950 65 E CA -0.257 56.176 56.400 0.054 0.000 0.776 65 E CB 0.274 30.005 29.700 0.051 0.000 1.207 65 E HN 0.972 nan 8.360 nan 0.000 0.436 66 G N 1.821 110.657 108.800 0.059 0.000 3.259 66 G HA2 -0.035 3.923 3.960 -0.002 0.000 0.217 66 G HA3 -0.035 3.923 3.960 -0.002 0.000 0.217 66 G C 0.423 175.353 174.900 0.050 0.000 0.993 66 G CA -0.165 44.971 45.100 0.060 0.000 0.836 66 G HN 0.801 nan 8.290 nan 0.000 0.514 67 G N -0.175 108.655 108.800 0.049 0.000 3.055 67 G HA2 0.437 4.396 3.960 -0.002 0.000 0.654 67 G HA3 0.437 4.396 3.960 -0.002 0.000 0.654 67 G C -0.703 174.221 174.900 0.040 0.000 1.134 67 G CA 0.824 45.945 45.100 0.035 0.000 1.049 67 G HN 1.304 nan 8.290 nan 0.000 0.458 68 E N 0.298 120.519 120.200 0.036 0.000 2.388 68 E HA 0.736 5.084 4.350 -0.002 0.000 0.281 68 E C -0.388 176.219 176.600 0.012 0.000 1.046 68 E CA -0.374 56.043 56.400 0.027 0.000 0.825 68 E CB 1.528 31.255 29.700 0.045 0.000 1.243 68 E HN 0.753 nan 8.360 nan 0.000 0.438 69 T N 1.500 116.052 114.554 -0.004 0.000 2.841 69 T HA 0.711 5.059 4.350 -0.002 0.000 0.285 69 T C -0.845 173.840 174.700 -0.024 0.000 0.991 69 T CA -0.660 61.434 62.100 -0.010 0.000 0.966 69 T CB 0.887 69.751 68.868 -0.008 0.000 0.962 69 T HN 0.301 nan 8.240 nan 0.000 0.438 70 L N 2.154 123.362 121.223 -0.025 0.000 2.422 70 L HA 0.627 4.966 4.340 -0.002 0.000 0.264 70 L C -0.323 176.535 176.870 -0.021 0.000 0.984 70 L CA -0.474 54.345 54.840 -0.036 0.000 0.819 70 L CB 2.790 44.814 42.059 -0.059 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.416 116.958 114.554 -0.020 0.000 2.801 71 T HA 0.561 4.910 4.350 -0.002 0.000 0.306 71 T C -0.532 174.161 174.700 -0.012 0.000 1.020 71 T CA -0.320 61.772 62.100 -0.014 0.000 0.948 71 T CB 1.038 69.898 68.868 -0.012 0.000 0.962 71 T HN 0.193 nan 8.240 nan 0.000 0.465 72 V N 3.361 123.270 119.914 -0.008 0.000 2.864 72 V HA 0.446 4.565 4.120 -0.002 0.000 0.314 72 V C 0.437 176.525 176.094 -0.010 0.000 1.073 72 V CA -1.160 61.138 62.300 -0.003 0.000 0.956 72 V CB 2.324 34.153 31.823 0.010 0.000 1.023 72 V HN 0.736 nan 8.190 nan 0.000 0.435 73 K N 1.494 121.888 120.400 -0.009 0.000 2.414 73 K HA -0.132 4.186 4.320 -0.002 0.000 0.266 73 K C 1.234 177.811 176.600 -0.038 0.000 0.976 73 K CA 1.183 57.461 56.287 -0.016 0.000 0.884 73 K CB 0.112 32.607 32.500 -0.009 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.279 120.456 120.200 -0.039 0.000 2.107 74 E HA -0.137 4.212 4.350 -0.002 0.000 0.191 74 E C 0.104 176.636 176.600 -0.113 0.000 0.982 74 E CA 1.293 57.659 56.400 -0.056 0.000 0.809 74 E CB 0.174 29.856 29.700 -0.031 0.000 0.756 74 E HN 0.499 nan 8.360 nan 0.000 0.459 75 D N -0.639 119.697 120.400 -0.106 0.000 2.706 75 D HA 0.068 4.706 4.640 -0.002 0.000 0.236 75 D C 0.429 176.568 176.300 -0.268 0.000 1.231 75 D CA 0.008 53.895 54.000 -0.188 0.000 0.828 75 D CB 0.351 41.084 40.800 -0.111 0.000 1.015 75 D HN 0.002 nan 8.370 nan 0.000 0.484 76 Q N -0.691 118.957 119.800 -0.254 0.000 2.189 76 Q HA 0.269 4.607 4.340 -0.002 0.000 0.223 76 Q C -0.786 175.090 176.000 -0.206 0.000 0.828 76 Q CA 0.023 55.757 55.803 -0.116 0.000 0.967 76 Q CB 1.318 30.064 28.738 0.013 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.547 121.175 119.914 -0.477 0.000 2.417 77 V HA 0.502 4.621 4.120 -0.002 0.000 0.291 77 V C -1.133 174.608 176.094 -0.589 0.000 1.024 77 V CA -0.482 61.618 62.300 -0.333 0.000 0.861 77 V CB 1.090 32.828 31.823 -0.141 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.810 121.836 119.950 0.126 0.000 2.547 78 F HA 0.508 5.034 4.527 -0.002 0.000 0.316 78 F C 0.741 176.632 175.800 0.152 0.000 1.121 78 F CA -0.586 57.507 58.000 0.154 0.000 0.911 78 F CB 1.849 40.776 39.000 -0.121 0.000 1.179 78 F HN 0.353 nan 8.300 nan 0.000 0.443 79 S N 2.485 118.478 115.700 0.489 0.000 2.589 79 S HA 0.263 4.732 4.470 -0.002 0.000 0.256 79 S C -0.317 174.393 174.600 0.184 0.000 1.383 79 S CA -0.141 58.219 58.200 0.267 0.000 0.983 79 S CB 0.339 63.686 63.200 0.246 0.000 0.908 79 S HN 0.693 nan 8.310 nan 0.000 0.572 80 M N 2.135 121.695 119.600 -0.067 0.000 2.263 80 M HA 0.316 4.795 4.480 -0.002 0.000 0.295 80 M C -1.068 175.192 176.300 -0.066 0.000 1.028 80 M CA -0.556 54.686 55.300 -0.097 0.000 0.921 80 M CB 1.050 33.469 32.600 -0.301 0.000 1.601 80 M HN 0.507 nan 8.290 nan 0.000 0.440 81 N N 5.728 124.397 118.700 -0.052 0.000 2.454 81 N HA 0.211 4.950 4.740 -0.002 0.000 0.254 81 N C -2.505 172.821 175.510 -0.306 0.000 1.228 81 N CA -0.520 52.495 53.050 -0.058 0.000 0.900 81 N CB 0.311 38.861 38.487 0.105 0.000 1.089 81 N HN 0.459 nan 8.380 nan 0.000 0.449 82 P HA 0.053 nan 4.420 nan 0.000 0.269 82 P C -1.921 175.003 177.300 -0.627 0.000 1.217 82 P CA -0.921 61.682 63.100 -0.828 0.000 0.783 82 P CB -0.090 31.407 31.700 -0.338 0.000 0.898 83 P HA -0.158 nan 4.420 nan 0.000 0.221 83 P C 1.419 178.552 177.300 -0.278 0.000 1.145 83 P CA 1.618 64.491 63.100 -0.379 0.000 0.795 83 P CB -0.168 31.382 31.700 -0.250 0.000 0.775 84 K N -0.304 119.855 120.400 -0.402 0.000 2.211 84 K HA -0.164 4.155 4.320 -0.002 0.000 0.204 84 K C -0.080 176.228 176.600 -0.486 0.000 1.047 84 K CA 1.101 57.097 56.287 -0.486 0.000 0.935 84 K CB -0.283 31.807 32.500 -0.683 0.000 0.728 84 K HN 0.136 nan 8.250 nan 0.000 0.452 85 Y N 1.159 121.403 120.300 -0.093 0.000 2.958 85 Y HA 0.156 4.705 4.550 -0.002 0.000 0.336 85 Y C 0.400 176.277 175.900 -0.038 0.000 1.160 85 Y CA -1.029 57.043 58.100 -0.046 0.000 1.292 85 Y CB 0.685 39.126 38.460 -0.031 0.000 1.306 85 Y HN 0.082 nan 8.280 nan 0.000 0.547 86 D N 1.509 121.948 120.400 0.065 0.000 2.255 86 D HA 0.026 4.665 4.640 -0.002 0.000 0.224 86 D C 0.257 176.602 176.300 0.076 0.000 0.997 86 D CA 1.204 55.234 54.000 0.050 0.000 0.906 86 D CB 0.448 41.253 40.800 0.007 0.000 1.047 86 D HN 0.274 nan 8.370 nan 0.000 0.458 87 K N 0.478 120.915 120.400 0.063 0.000 3.163 87 K HA 0.266 4.585 4.320 -0.002 0.000 0.186 87 K C -0.588 176.054 176.600 0.069 0.000 1.111 87 K CA -0.376 55.948 56.287 0.062 0.000 0.918 87 K CB 1.380 33.905 32.500 0.042 0.000 1.059 87 K HN 0.132 nan 8.250 nan 0.000 0.558 88 I N 2.435 123.063 120.570 0.098 0.000 2.821 88 I HA -0.159 4.010 4.170 -0.002 0.000 0.294 88 I C 1.496 177.679 176.117 0.109 0.000 1.210 88 I CA 1.038 62.409 61.300 0.118 0.000 1.430 88 I CB 0.402 38.492 38.000 0.151 0.000 1.356 88 I HN 0.550 nan 8.210 nan 0.000 0.563 89 E N 3.412 123.686 120.200 0.124 0.000 2.118 89 E HA -0.192 4.156 4.350 -0.002 0.000 0.195 89 E C 0.246 176.988 176.600 0.237 0.000 0.992 89 E CA 1.112 57.604 56.400 0.154 0.000 0.804 89 E CB 0.139 29.951 29.700 0.186 0.000 0.741 89 E HN 0.504 nan 8.360 nan 0.000 0.458 90 D N -0.786 119.743 120.400 0.216 0.000 2.420 90 D HA 0.125 4.764 4.640 -0.002 0.000 0.255 90 D C 0.642 177.012 176.300 0.115 0.000 1.185 90 D CA -0.170 53.954 54.000 0.207 0.000 0.904 90 D CB 0.678 41.575 40.800 0.163 0.000 1.102 90 D HN -0.040 nan 8.370 nan 0.000 0.534 91 M N 1.484 121.143 119.600 0.098 0.000 2.337 91 M HA -0.143 4.336 4.480 -0.002 0.000 0.261 91 M C 1.739 178.035 176.300 -0.007 0.000 1.067 91 M CA 1.178 56.502 55.300 0.040 0.000 1.074 91 M CB -0.117 32.503 32.600 0.034 0.000 1.395 91 M HN 0.359 nan 8.290 nan 0.000 0.431 92 A N -0.494 122.332 122.820 0.009 0.000 2.255 92 A HA 0.090 4.408 4.320 -0.002 0.000 0.206 92 A C 1.890 179.439 177.584 -0.059 0.000 1.193 92 A CA 0.649 52.664 52.037 -0.036 0.000 0.794 92 A CB -0.588 18.393 19.000 -0.032 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.419 118.154 119.600 -0.045 0.000 2.367 93 M HA 0.284 4.763 4.480 -0.002 0.000 0.256 93 M C 0.312 176.514 176.300 -0.163 0.000 1.091 93 M CA 0.001 55.276 55.300 -0.043 0.000 1.049 93 M CB 0.077 32.703 32.600 0.044 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.310 119.127 119.600 -0.272 0.000 2.252 94 M HA -0.095 4.383 4.480 -0.002 0.000 0.321 94 M C 1.281 177.300 176.300 -0.469 0.000 1.070 94 M CA 0.788 55.735 55.300 -0.588 0.000 1.143 94 M CB 0.390 32.788 32.600 -0.336 0.000 1.498 94 M HN -0.087 nan 8.290 nan 0.000 0.445 95 T N -0.040 114.181 114.554 -0.555 0.000 3.122 95 T HA 0.132 4.481 4.350 -0.002 0.000 0.250 95 T C -0.660 173.863 174.700 -0.295 0.000 1.067 95 T CA 0.285 62.218 62.100 -0.278 0.000 0.966 95 T CB -0.277 68.532 68.868 -0.099 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.867 119.762 119.070 -0.291 0.000 2.854 96 H HA 0.396 4.951 4.556 -0.002 0.000 0.275 96 H C -1.233 173.892 175.328 -0.340 0.000 1.198 96 H CA -0.698 55.172 56.048 -0.296 0.000 1.489 96 H CB 0.566 30.228 29.762 -0.166 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.047 125.096 121.223 -0.289 0.000 2.358 97 L HA 0.251 4.590 4.340 -0.002 0.000 0.274 97 L C 0.106 176.829 176.870 -0.244 0.000 1.136 97 L CA 0.095 54.802 54.840 -0.221 0.000 0.970 97 L CB -1.298 40.647 42.059 -0.190 0.000 1.314 97 L HN 0.718 nan 8.230 nan 0.000 0.427 98 H N -0.717 118.290 119.070 -0.105 0.000 2.896 98 H HA 0.318 4.873 4.556 -0.002 0.000 0.318 98 H C 0.557 175.696 175.328 -0.315 0.000 1.409 98 H CA -0.655 55.271 56.048 -0.203 0.000 1.328 98 H CB 1.821 31.388 29.762 -0.324 0.000 1.940 98 H HN 0.391 nan 8.280 nan 0.000 0.665 99 E N 0.228 120.247 120.200 -0.301 0.000 2.042 99 E HA -0.024 4.325 4.350 -0.002 0.000 0.189 99 E C -1.032 175.184 176.600 -0.640 0.000 0.974 99 E CA 0.267 56.413 56.400 -0.423 0.000 0.806 99 E CB -0.556 28.908 29.700 -0.392 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.134 nan 4.420 nan 0.000 0.215 100 P C 0.994 177.734 177.300 -0.934 0.000 1.157 100 P CA 1.856 64.174 63.100 -1.304 0.000 0.863 100 P CB -0.109 30.457 31.700 -1.891 0.000 0.787 101 A N -0.634 121.739 122.820 -0.745 0.000 2.032 101 A HA -0.153 4.166 4.320 -0.002 0.000 0.221 101 A C 2.318 179.817 177.584 -0.143 0.000 1.165 101 A CA 1.744 53.617 52.037 -0.274 0.000 0.645 101 A CB -1.679 17.444 19.000 0.205 0.000 0.807 101 A HN 0.091 nan 8.150 nan 0.000 0.453 102 V N -0.565 119.236 119.914 -0.189 0.000 2.446 102 V HA -0.132 3.986 4.120 -0.002 0.000 0.244 102 V C 2.389 178.388 176.094 -0.159 0.000 1.039 102 V CA 1.549 63.771 62.300 -0.130 0.000 1.045 102 V CB -0.480 31.270 31.823 -0.121 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.085 120.990 121.223 -0.246 0.000 1.994 103 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 103 L C 2.283 178.964 176.870 -0.316 0.000 1.071 103 L CA 2.228 56.883 54.840 -0.308 0.000 0.745 103 L CB -1.148 40.667 42.059 -0.407 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.047 120.164 120.300 -0.305 0.000 2.256 104 Y HA -0.249 4.299 4.550 -0.002 0.000 0.288 104 Y C 2.664 178.530 175.900 -0.057 0.000 1.155 104 Y CA 2.024 60.020 58.100 -0.174 0.000 1.203 104 Y CB -0.631 37.723 38.460 -0.177 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.460 118.276 118.700 0.060 0.000 2.216 105 N HA -0.139 4.600 4.740 -0.002 0.000 0.183 105 N C 1.581 177.105 175.510 0.023 0.000 1.017 105 N CA 0.647 53.733 53.050 0.061 0.000 0.861 105 N CB -0.213 38.306 38.487 0.053 0.000 0.986 105 N HN 0.058 nan 8.380 nan 0.000 0.428 106 L N 1.633 122.838 121.223 -0.030 0.000 1.976 106 L HA -0.092 4.247 4.340 -0.002 0.000 0.209 106 L C 2.261 179.114 176.870 -0.027 0.000 1.071 106 L CA 1.678 56.486 54.840 -0.053 0.000 0.746 106 L CB -1.172 40.816 42.059 -0.119 0.000 0.890 106 L HN 0.203 nan 8.230 nan 0.000 0.432 107 K N -0.279 120.085 120.400 -0.060 0.000 2.059 107 K HA -0.263 4.056 4.320 -0.002 0.000 0.212 107 K C 1.942 178.578 176.600 0.061 0.000 1.050 107 K CA 2.159 58.440 56.287 -0.010 0.000 0.927 107 K CB -0.105 32.326 32.500 -0.116 0.000 0.714 107 K HN 0.379 nan 8.250 nan 0.000 0.447 108 E N -0.180 120.058 120.200 0.063 0.000 2.077 108 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 108 E C 1.770 178.384 176.600 0.023 0.000 0.989 108 E CA 1.569 58.005 56.400 0.060 0.000 0.800 108 E CB 0.000 29.757 29.700 0.095 0.000 0.746 108 E HN 0.442 nan 8.360 nan 0.000 0.452 109 R N -0.517 120.008 120.500 0.041 0.000 2.319 109 R HA -0.020 4.319 4.340 -0.002 0.000 0.204 109 R C 1.432 177.760 176.300 0.047 0.000 0.954 109 R CA 0.548 56.667 56.100 0.032 0.000 1.066 109 R CB -0.130 30.192 30.300 0.036 0.000 0.991 109 R HN 0.205 nan 8.270 nan 0.000 0.486 110 Y N 0.919 121.141 120.300 -0.129 0.000 2.464 110 Y HA 0.371 4.920 4.550 -0.002 0.000 0.288 110 Y C 2.270 177.943 175.900 -0.379 0.000 1.133 110 Y CA 0.186 58.175 58.100 -0.185 0.000 1.223 110 Y CB -0.121 38.246 38.460 -0.154 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.257 122.838 122.820 -0.398 0.000 2.178 111 A HA 0.132 4.451 4.320 -0.002 0.000 0.218 111 A C 1.911 179.078 177.584 -0.695 0.000 1.157 111 A CA 1.406 53.076 52.037 -0.612 0.000 0.689 111 A CB -1.082 17.750 19.000 -0.280 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.314 119.256 122.820 -0.417 0.000 2.430 112 A HA 0.418 4.736 4.320 -0.002 0.000 0.243 112 A C 0.355 177.956 177.584 0.027 0.000 1.254 112 A CA -0.189 51.739 52.037 -0.182 0.000 0.914 112 A CB -0.428 18.538 19.000 -0.058 0.000 0.998 112 A HN 0.711 nan 8.150 nan 0.000 0.515 113 W N -1.466 119.798 121.300 -0.060 0.000 4.301 113 W HA -0.170 4.489 4.660 -0.002 0.000 0.360 113 W C -0.557 175.999 176.519 0.062 0.000 1.371 113 W CA 0.776 58.113 57.345 -0.013 0.000 0.781 113 W CB -2.344 27.184 29.460 0.113 0.000 2.488 113 W HN 0.404 nan 8.180 nan 0.000 1.350 114 M N 0.892 120.582 119.600 0.150 0.000 2.066 114 M HA 0.275 4.753 4.480 -0.002 0.000 0.340 114 M C 1.520 177.838 176.300 0.031 0.000 1.053 114 M CA -0.182 55.175 55.300 0.095 0.000 0.983 114 M CB 0.663 33.300 32.600 0.063 0.000 1.520 114 M HN 0.103 nan 8.290 nan 0.000 0.428 115 I N -0.764 119.723 120.570 -0.138 0.000 3.226 115 I HA 0.112 4.281 4.170 -0.002 0.000 0.277 115 I C -0.521 175.282 176.117 -0.524 0.000 1.243 115 I CA 0.533 61.631 61.300 -0.336 0.000 1.459 115 I CB 0.126 37.818 38.000 -0.514 0.000 1.093 115 I HN 0.388 nan 8.210 nan 0.000 0.453 116 Y N 2.133 122.403 120.300 -0.049 0.000 2.402 116 Y HA 0.547 5.096 4.550 -0.002 0.000 0.332 116 Y C 0.318 176.112 175.900 -0.177 0.000 0.960 116 Y CA -1.176 56.849 58.100 -0.126 0.000 1.228 116 Y CB 1.229 39.586 38.460 -0.172 0.000 1.120 116 Y HN -0.051 nan 8.280 nan 0.000 0.491 117 T N 3.174 117.725 114.554 -0.005 0.000 2.861 117 T HA 0.590 4.938 4.350 -0.002 0.000 0.287 117 T C -1.112 173.568 174.700 -0.033 0.000 1.003 117 T CA -0.549 61.519 62.100 -0.053 0.000 0.977 117 T CB 0.422 69.290 68.868 -0.001 0.000 0.996 117 T HN 0.298 nan 8.240 nan 0.000 0.448 118 Y N 2.211 122.582 120.300 0.118 0.000 2.335 118 Y HA 0.558 5.106 4.550 -0.002 0.000 0.323 118 Y C 1.291 177.259 175.900 0.114 0.000 1.224 118 Y CA -0.786 57.389 58.100 0.126 0.000 1.241 118 Y CB 1.683 40.209 38.460 0.110 0.000 1.235 118 Y HN 0.649 nan 8.280 nan 0.000 0.492 119 S N 1.236 117.144 115.700 0.346 0.000 2.327 119 S HA 0.552 5.021 4.470 -0.002 0.000 0.203 119 S C 0.328 175.044 174.600 0.194 0.000 1.326 119 S CA 0.268 58.615 58.200 0.246 0.000 1.248 119 S CB -0.941 62.401 63.200 0.236 0.000 1.199 119 S HN 1.247 nan 8.310 nan 0.000 0.422 120 G N 2.019 110.877 108.800 0.096 0.000 3.110 120 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.238 120 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.238 120 G C 0.262 175.116 174.900 -0.077 0.000 1.647 120 G CA 0.082 45.159 45.100 -0.038 0.000 1.146 120 G HN 0.532 nan 8.290 nan 0.000 0.545 121 L N 1.110 122.217 121.223 -0.194 0.000 2.515 121 L HA 0.478 4.817 4.340 -0.002 0.000 0.223 121 L C 1.079 177.993 176.870 0.073 0.000 1.079 121 L CA -0.149 54.638 54.840 -0.087 0.000 0.857 121 L CB -0.033 41.992 42.059 -0.056 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.817 119.260 119.950 0.211 0.000 2.535 122 F HA 0.039 4.564 4.527 -0.002 0.000 0.332 122 F C 0.718 176.690 175.800 0.287 0.000 1.208 122 F CA -0.928 57.193 58.000 0.201 0.000 1.330 122 F CB 0.173 39.218 39.000 0.074 0.000 1.167 122 F HN -0.207 nan 8.300 nan 0.000 0.597 123 C N 3.865 123.460 119.300 0.491 0.000 2.814 123 C HA 0.652 5.111 4.460 -0.002 0.000 0.269 123 C C -0.546 174.562 174.990 0.197 0.000 1.090 123 C CA -0.688 58.534 59.018 0.339 0.000 1.492 123 C CB -1.460 26.427 27.740 0.246 0.000 1.825 123 C HN 0.494 nan 8.230 nan 0.000 0.442 124 V N 4.983 124.992 119.914 0.158 0.000 2.763 124 V HA 0.339 4.458 4.120 -0.002 0.000 0.306 124 V C 0.803 176.952 176.094 0.091 0.000 1.059 124 V CA 0.789 63.127 62.300 0.063 0.000 1.138 124 V CB 1.279 33.111 31.823 0.014 0.000 0.940 124 V HN 0.851 nan 8.190 nan 0.000 0.489 125 T N 3.485 118.061 114.554 0.037 0.000 3.011 125 T HA 0.514 4.862 4.350 -0.002 0.000 0.303 125 T C -0.691 173.939 174.700 -0.116 0.000 0.997 125 T CA -0.356 61.759 62.100 0.026 0.000 1.007 125 T CB 1.523 70.481 68.868 0.150 0.000 1.017 125 T HN 0.456 nan 8.240 nan 0.000 0.443 126 V N 3.681 123.465 119.914 -0.218 0.000 2.459 126 V HA 0.445 4.563 4.120 -0.002 0.000 0.295 126 V C 0.578 176.513 176.094 -0.264 0.000 1.029 126 V CA -1.216 60.903 62.300 -0.301 0.000 0.874 126 V CB 1.545 33.072 31.823 -0.492 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.566 124.066 118.700 -0.333 0.000 2.417 127 N HA 0.055 4.794 4.740 -0.002 0.000 0.272 127 N C -1.452 173.807 175.510 -0.418 0.000 1.304 127 N CA -1.075 51.700 53.050 -0.458 0.000 0.906 127 N CB 1.210 39.235 38.487 -0.769 0.000 1.135 127 N HN 0.484 nan 8.380 nan 0.000 0.483 128 P HA -0.123 nan 4.420 nan 0.000 0.215 128 P C -0.311 177.036 177.300 0.078 0.000 1.157 128 P CA 1.181 64.283 63.100 0.004 0.000 0.863 128 P CB 0.118 31.778 31.700 -0.066 0.000 0.787 129 Y N -1.537 118.811 120.300 0.080 0.000 4.786 129 Y HA -0.229 4.320 4.550 -0.002 0.000 0.243 129 Y C 0.686 176.611 175.900 0.043 0.000 1.027 129 Y CA 0.659 58.800 58.100 0.070 0.000 2.052 129 Y CB -2.349 36.174 38.460 0.105 0.000 1.578 129 Y HN 0.249 nan 8.280 nan 0.000 0.655 130 K N -2.341 118.152 120.400 0.155 0.000 2.580 130 K HA 0.480 4.799 4.320 -0.002 0.000 0.288 130 K C -1.257 175.353 176.600 0.016 0.000 1.041 130 K CA -0.979 55.350 56.287 0.070 0.000 0.855 130 K CB 0.977 33.484 32.500 0.011 0.000 1.543 130 K HN -0.010 nan 8.250 nan 0.000 0.388 131 W N 1.427 122.632 121.300 -0.158 0.000 2.381 131 W HA 0.584 5.243 4.660 -0.002 0.000 0.329 131 W C -1.466 174.887 176.519 -0.277 0.000 1.157 131 W CA -0.376 56.855 57.345 -0.190 0.000 1.240 131 W CB 0.965 30.341 29.460 -0.140 0.000 1.199 131 W HN 0.418 nan 8.180 nan 0.000 0.579 132 L N 6.713 127.177 121.223 -1.266 0.000 2.445 132 L HA 0.391 4.730 4.340 -0.002 0.000 0.262 132 L C -1.671 174.147 176.870 -1.753 0.000 0.974 132 L CA -1.929 52.160 54.840 -1.252 0.000 0.822 132 L CB 2.554 44.126 42.059 -0.813 0.000 1.339 132 L HN 0.311 nan 8.230 nan 0.000 0.409 133 P HA 0.032 nan 4.420 nan 0.000 0.258 133 P C 1.045 178.304 177.300 -0.069 0.000 1.319 133 P CA 0.308 63.156 63.100 -0.420 0.000 0.785 133 P CB 0.200 31.950 31.700 0.084 0.000 1.252 134 V N -1.478 118.407 119.914 -0.048 0.000 2.719 134 V HA -0.161 3.957 4.120 -0.002 0.000 0.252 134 V C 1.517 177.927 176.094 0.526 0.000 1.065 134 V CA 1.511 63.987 62.300 0.294 0.000 1.086 134 V CB -1.278 30.740 31.823 0.326 0.000 0.700 134 V HN 0.077 nan 8.190 nan 0.000 0.467 135 Y N -0.121 120.278 120.300 0.165 0.000 2.471 135 Y HA 0.232 4.781 4.550 -0.002 0.000 0.286 135 Y C 1.168 177.227 175.900 0.264 0.000 1.188 135 Y CA -1.162 57.141 58.100 0.338 0.000 1.286 135 Y CB -1.351 37.240 38.460 0.218 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.177 122.084 118.700 0.345 0.000 2.359 136 N HA -0.071 4.667 4.740 -0.002 0.000 0.261 136 N C -1.765 173.828 175.510 0.138 0.000 1.267 136 N CA -0.654 52.542 53.050 0.242 0.000 0.864 136 N CB 0.838 39.458 38.487 0.222 0.000 1.063 136 N HN 0.047 nan 8.380 nan 0.000 0.474 137 P HA -0.121 nan 4.420 nan 0.000 0.231 137 P C 0.142 177.439 177.300 -0.006 0.000 1.154 137 P CA 1.348 64.474 63.100 0.044 0.000 0.762 137 P CB 0.254 31.992 31.700 0.063 0.000 0.790 138 K N -1.180 119.228 120.400 0.012 0.000 2.276 138 K HA 0.062 4.381 4.320 -0.002 0.000 0.198 138 K C 1.903 178.441 176.600 -0.105 0.000 1.052 138 K CA 0.313 56.575 56.287 -0.043 0.000 0.984 138 K CB -0.426 32.063 32.500 -0.018 0.000 0.836 138 K HN -0.088 nan 8.250 nan 0.000 0.490 139 V N 1.008 120.905 119.914 -0.028 0.000 2.295 139 V HA -0.246 3.873 4.120 -0.002 0.000 0.246 139 V C 2.138 178.162 176.094 -0.116 0.000 1.049 139 V CA 1.493 63.802 62.300 0.016 0.000 1.024 139 V CB -0.457 31.538 31.823 0.288 0.000 0.648 139 V HN 0.056 nan 8.190 nan 0.000 0.447 140 V N -0.071 119.659 119.914 -0.307 0.000 2.277 140 V HA -0.344 3.774 4.120 -0.002 0.000 0.253 140 V C 2.339 178.337 176.094 -0.160 0.000 1.067 140 V CA 2.519 64.584 62.300 -0.391 0.000 1.047 140 V CB -0.564 31.066 31.823 -0.320 0.000 0.649 140 V HN 0.440 nan 8.190 nan 0.000 0.447 141 L N -0.168 120.958 121.223 -0.161 0.000 2.044 141 L HA -0.020 4.319 4.340 -0.002 0.000 0.205 141 L C 2.627 179.410 176.870 -0.145 0.000 1.075 141 L CA 2.051 56.806 54.840 -0.141 0.000 0.747 141 L CB -1.204 40.766 42.059 -0.150 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.092 121.578 122.820 -0.250 0.000 1.917 142 A HA -0.268 4.051 4.320 -0.002 0.000 0.219 142 A C 2.065 179.490 177.584 -0.266 0.000 1.182 142 A CA 1.843 53.623 52.037 -0.427 0.000 0.633 142 A CB -1.062 17.366 19.000 -0.955 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.027 119.247 120.300 -0.042 0.000 2.529 143 Y HA 0.177 4.726 4.550 -0.002 0.000 0.290 143 Y C 1.036 176.969 175.900 0.055 0.000 1.177 143 Y CA 0.279 58.414 58.100 0.058 0.000 1.305 143 Y CB -0.049 38.458 38.460 0.078 0.000 1.047 143 Y HN 0.153 nan 8.280 nan 0.000 0.522 144 R N 0.773 121.350 120.500 0.127 0.000 2.242 144 R HA 0.376 4.715 4.340 -0.002 0.000 0.334 144 R C 0.767 177.098 176.300 0.052 0.000 1.071 144 R CA 0.097 56.249 56.100 0.087 0.000 0.922 144 R CB -0.384 29.915 30.300 -0.002 0.000 1.023 144 R HN 0.395 nan 8.270 nan 0.000 0.458 145 G N 2.756 111.601 108.800 0.076 0.000 2.132 145 G HA2 -0.251 3.707 3.960 -0.002 0.000 0.234 145 G HA3 -0.251 3.707 3.960 -0.002 0.000 0.234 145 G C -0.460 174.459 174.900 0.032 0.000 0.989 145 G CA 0.089 45.216 45.100 0.044 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.164 121.604 120.400 0.066 0.000 2.265 146 K HA 0.536 4.854 4.320 -0.002 0.000 0.267 146 K C 0.640 177.288 176.600 0.080 0.000 0.994 146 K CA -0.745 55.587 56.287 0.075 0.000 0.860 146 K CB 0.870 33.445 32.500 0.126 0.000 1.099 146 K HN 0.090 nan 8.250 nan 0.000 0.448 147 K N 1.811 122.232 120.400 0.035 0.000 2.336 147 K HA 0.009 4.328 4.320 -0.002 0.000 0.262 147 K C 0.968 177.624 176.600 0.094 0.000 0.992 147 K CA 0.016 56.318 56.287 0.025 0.000 0.927 147 K CB 0.307 32.804 32.500 -0.005 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.481 121.036 120.500 0.092 0.000 2.369 148 R HA -0.097 4.242 4.340 -0.002 0.000 0.200 148 R C 0.490 176.877 176.300 0.144 0.000 1.046 148 R CA 1.081 57.269 56.100 0.147 0.000 1.057 148 R CB -0.125 30.212 30.300 0.061 0.000 0.888 148 R HN 0.484 nan 8.270 nan 0.000 0.474 149 Q N 0.463 120.321 119.800 0.097 0.000 2.317 149 Q HA 0.094 4.433 4.340 -0.002 0.000 0.220 149 Q C 0.809 176.864 176.000 0.091 0.000 0.873 149 Q CA 0.412 56.267 55.803 0.087 0.000 0.936 149 Q CB 0.713 29.480 28.738 0.049 0.000 1.105 149 Q HN 0.505 nan 8.270 nan 0.000 0.520 150 E N 0.279 120.537 120.200 0.096 0.000 2.478 150 E HA 0.244 4.593 4.350 -0.002 0.000 0.194 150 E C -0.120 176.546 176.600 0.110 0.000 1.045 150 E CA 0.169 56.620 56.400 0.085 0.000 0.868 150 E CB 0.649 30.389 29.700 0.066 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.684 124.603 122.820 0.166 0.000 2.587 151 A HA 0.525 4.844 4.320 -0.002 0.000 0.293 151 A C -2.783 174.960 177.584 0.266 0.000 1.087 151 A CA -1.558 50.593 52.037 0.189 0.000 0.692 151 A CB 1.138 20.258 19.000 0.200 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.356 nan 4.420 nan 0.000 0.272 152 P C -2.754 174.697 177.300 0.252 0.000 1.240 152 P CA -1.392 61.809 63.100 0.167 0.000 0.791 152 P CB -0.644 31.056 31.700 0.000 0.000 0.978 153 P HA 0.035 nan 4.420 nan 0.000 0.258 153 P C -0.415 176.810 177.300 -0.125 0.000 1.187 153 P CA 1.189 64.080 63.100 -0.350 0.000 0.767 153 P CB -0.249 31.079 31.700 -0.619 0.000 0.770 154 H N 1.613 120.408 119.070 -0.459 0.000 3.094 154 H HA 0.208 4.763 4.556 -0.002 0.000 0.335 154 H C 0.708 175.494 175.328 -0.903 0.000 1.254 154 H CA -0.776 54.757 56.048 -0.858 0.000 1.240 154 H CB 1.367 30.652 29.762 -0.794 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.469 122.310 120.570 -1.215 0.000 2.361 155 I HA -0.261 3.908 4.170 -0.002 0.000 0.251 155 I C 1.182 176.610 176.117 -1.149 0.000 1.133 155 I CA 1.297 61.955 61.300 -1.069 0.000 1.413 155 I CB -0.047 37.267 38.000 -1.144 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.526 118.560 119.950 -1.439 0.000 2.502 156 F HA -0.126 4.400 4.527 -0.002 0.000 0.298 156 F C 2.698 177.944 175.800 -0.922 0.000 1.111 156 F CA 0.708 57.906 58.000 -1.336 0.000 1.445 156 F CB -0.775 37.453 39.000 -1.287 0.000 1.081 156 F HN -0.051 nan 8.300 nan 0.000 0.558 157 S N 0.373 115.666 115.700 -0.679 0.000 2.355 157 S HA -0.147 4.321 4.470 -0.002 0.000 0.222 157 S C 2.155 176.660 174.600 -0.157 0.000 1.031 157 S CA 1.093 59.149 58.200 -0.240 0.000 0.993 157 S CB -0.369 62.839 63.200 0.014 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.504 121.949 120.570 -0.208 0.000 2.142 158 I HA -0.172 3.996 4.170 -0.002 0.000 0.240 158 I C 2.666 178.655 176.117 -0.214 0.000 1.078 158 I CA 1.653 62.860 61.300 -0.155 0.000 1.343 158 I CB -0.466 37.467 38.000 -0.112 0.000 1.046 158 I HN 0.404 nan 8.210 nan 0.000 0.405 159 S N -0.811 114.702 115.700 -0.313 0.000 2.442 159 S HA -0.240 4.229 4.470 -0.002 0.000 0.236 159 S C 1.905 176.405 174.600 -0.166 0.000 1.007 159 S CA 1.690 59.708 58.200 -0.303 0.000 0.965 159 S CB -0.397 62.391 63.200 -0.686 0.000 0.773 159 S HN 0.541 nan 8.310 nan 0.000 0.504 160 D N 0.738 121.051 120.400 -0.145 0.000 2.259 160 D HA 0.020 4.659 4.640 -0.002 0.000 0.216 160 D C 1.768 178.153 176.300 0.141 0.000 0.961 160 D CA 0.385 54.447 54.000 0.103 0.000 0.878 160 D CB -0.289 40.594 40.800 0.138 0.000 1.009 160 D HN 0.420 nan 8.370 nan 0.000 0.490 161 N N 0.878 119.603 118.700 0.041 0.000 2.149 161 N HA -0.152 4.587 4.740 -0.002 0.000 0.188 161 N C 1.854 177.475 175.510 0.184 0.000 1.019 161 N CA 1.000 54.075 53.050 0.042 0.000 0.857 161 N CB 0.041 38.567 38.487 0.065 0.000 0.997 161 N HN 0.156 nan 8.380 nan 0.000 0.426 162 A N 0.964 123.811 122.820 0.045 0.000 1.851 162 A HA -0.229 4.090 4.320 -0.002 0.000 0.216 162 A C 2.097 179.815 177.584 0.222 0.000 1.195 162 A CA 1.284 53.349 52.037 0.047 0.000 0.622 162 A CB -1.212 17.829 19.000 0.068 0.000 0.831 162 A HN 0.376 nan 8.150 nan 0.000 0.444 163 Y N 0.546 120.928 120.300 0.138 0.000 2.081 163 Y HA -0.308 4.241 4.550 -0.002 0.000 0.280 163 Y C 2.656 178.555 175.900 -0.001 0.000 1.163 163 Y CA 2.291 60.419 58.100 0.047 0.000 1.135 163 Y CB -0.680 37.863 38.460 0.139 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.162 118.687 119.800 0.082 0.000 1.927 164 Q HA -0.257 4.082 4.340 -0.002 0.000 0.210 164 Q C 2.180 178.123 176.000 -0.095 0.000 1.001 164 Q CA 2.136 57.887 55.803 -0.086 0.000 0.862 164 Q CB -0.704 27.927 28.738 -0.178 0.000 0.934 164 Q HN 0.434 nan 8.270 nan 0.000 0.420 165 F N 0.718 120.645 119.950 -0.039 0.000 2.141 165 F HA -0.322 4.204 4.527 -0.002 0.000 0.300 165 F C 2.374 178.111 175.800 -0.106 0.000 1.079 165 F CA 1.472 59.467 58.000 -0.009 0.000 1.264 165 F CB -0.549 38.514 39.000 0.105 0.000 1.011 165 F HN 0.247 nan 8.300 nan 0.000 0.487 166 M N -0.329 119.295 119.600 0.040 0.000 2.059 166 M HA -0.233 4.246 4.480 -0.002 0.000 0.259 166 M C 2.084 178.143 176.300 -0.402 0.000 1.072 166 M CA 2.038 57.208 55.300 -0.217 0.000 1.117 166 M CB -0.449 31.985 32.600 -0.276 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.845 120.151 121.223 -0.378 0.000 2.156 167 L HA -0.109 4.230 4.340 -0.002 0.000 0.208 167 L C 2.302 179.058 176.870 -0.190 0.000 1.095 167 L CA 1.259 55.911 54.840 -0.314 0.000 0.770 167 L CB -1.360 40.536 42.059 -0.271 0.000 0.914 167 L HN 0.272 nan 8.230 nan 0.000 0.439 168 T N -0.300 114.178 114.554 -0.126 0.000 2.701 168 T HA -0.131 4.218 4.350 -0.002 0.000 0.263 168 T C 1.302 175.982 174.700 -0.033 0.000 1.040 168 T CA 1.731 63.795 62.100 -0.061 0.000 1.147 168 T CB -0.219 68.623 68.868 -0.044 0.000 0.865 168 T HN 0.367 nan 8.240 nan 0.000 0.426 169 D N 0.327 120.724 120.400 -0.004 0.000 2.348 169 D HA 0.097 4.735 4.640 -0.002 0.000 0.211 169 D C 0.623 176.864 176.300 -0.098 0.000 0.998 169 D CA 0.072 54.062 54.000 -0.015 0.000 0.873 169 D CB -0.063 40.760 40.800 0.039 0.000 0.925 169 D HN 0.251 nan 8.370 nan 0.000 0.524 170 R N 0.482 120.847 120.500 -0.226 0.000 3.531 170 R HA -0.153 4.186 4.340 -0.002 0.000 0.280 170 R C -0.620 175.522 176.300 -0.264 0.000 1.130 170 R CA 0.663 56.557 56.100 -0.344 0.000 0.757 170 R CB -2.289 27.956 30.300 -0.092 0.000 1.218 170 R HN 0.414 nan 8.270 nan 0.000 0.454 171 E N 0.538 120.575 120.200 -0.272 0.000 2.299 171 E HA 0.360 4.709 4.350 -0.002 0.000 0.265 171 E C -0.167 176.317 176.600 -0.193 0.000 0.911 171 E CA -1.065 55.243 56.400 -0.154 0.000 0.789 171 E CB 1.282 30.923 29.700 -0.098 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.486 120.085 118.700 -0.168 0.000 2.445 172 N HA 0.183 4.922 4.740 -0.002 0.000 0.264 172 N C -0.365 174.998 175.510 -0.244 0.000 1.227 172 N CA -0.326 52.527 53.050 -0.329 0.000 0.963 172 N CB 0.977 38.996 38.487 -0.780 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.396 119.234 119.800 -0.283 0.000 2.495 173 Q HA 0.620 4.958 4.340 -0.002 0.000 0.283 173 Q C -1.052 174.911 176.000 -0.062 0.000 1.097 173 Q CA -0.679 55.067 55.803 -0.094 0.000 0.836 173 Q CB 1.860 30.596 28.738 -0.002 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.646 115.073 115.700 0.031 0.000 2.565 174 S HA 0.802 5.271 4.470 -0.002 0.000 0.269 174 S C -1.404 173.238 174.600 0.071 0.000 1.153 174 S CA -0.729 57.524 58.200 0.089 0.000 0.835 174 S CB 0.783 64.058 63.200 0.125 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.409 122.045 120.570 0.110 0.000 2.512 175 I HA 0.396 4.565 4.170 -0.002 0.000 0.287 175 I C -1.665 174.517 176.117 0.109 0.000 1.069 175 I CA -0.490 60.868 61.300 0.096 0.000 1.056 175 I CB 1.851 39.931 38.000 0.134 0.000 1.229 175 I HN 0.548 nan 8.210 nan 0.000 0.429 176 L N 7.801 129.065 121.223 0.069 0.000 2.277 176 L HA 0.515 4.854 4.340 -0.002 0.000 0.284 176 L C -0.403 176.571 176.870 0.174 0.000 1.028 176 L CA -0.046 54.877 54.840 0.138 0.000 0.835 176 L CB 0.725 42.878 42.059 0.157 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.369 123.026 120.570 0.146 0.000 2.353 177 I HA 0.585 4.754 4.170 -0.002 0.000 0.293 177 I C 0.418 176.596 176.117 0.103 0.000 0.992 177 I CA 0.301 61.671 61.300 0.117 0.000 1.268 177 I CB 1.630 39.688 38.000 0.095 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.481 118.080 114.554 0.075 0.000 3.012 178 T HA 0.769 5.118 4.350 -0.002 0.000 0.330 178 T C -0.643 174.069 174.700 0.021 0.000 1.321 178 T CA -0.648 61.487 62.100 0.057 0.000 1.067 178 T CB 1.801 70.710 68.868 0.068 0.000 1.235 178 T HN 0.943 nan 8.240 nan 0.000 0.479 179 G N 1.557 110.372 108.800 0.026 0.000 2.356 179 G HA2 0.506 4.465 3.960 -0.002 0.000 0.294 179 G HA3 0.506 4.465 3.960 -0.002 0.000 0.294 179 G C -1.557 173.360 174.900 0.028 0.000 1.423 179 G CA -0.870 44.236 45.100 0.010 0.000 0.806 179 G HN 0.691 nan 8.290 nan 0.000 0.527 180 E N 0.208 120.423 120.200 0.026 0.000 2.391 180 E HA 0.286 4.635 4.350 -0.002 0.000 0.255 180 E C 1.201 177.834 176.600 0.054 0.000 1.187 180 E CA 0.111 56.538 56.400 0.046 0.000 0.941 180 E CB 1.129 30.857 29.700 0.047 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.846 116.590 115.700 0.074 0.000 2.414 181 S HA -0.217 4.252 4.470 -0.002 0.000 0.241 181 S C 1.589 176.228 174.600 0.066 0.000 1.079 181 S CA 1.974 60.217 58.200 0.071 0.000 1.087 181 S CB -0.475 62.774 63.200 0.082 0.000 0.927 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.974 107.869 108.800 0.072 0.000 3.126 182 G HA2 0.456 4.415 3.960 -0.002 0.000 0.224 182 G HA3 0.456 4.415 3.960 -0.002 0.000 0.224 182 G C 1.243 176.192 174.900 0.081 0.000 1.142 182 G CA 0.587 45.742 45.100 0.092 0.000 0.759 182 G HN 0.570 nan 8.290 nan 0.000 0.550 183 A N 0.336 123.181 122.820 0.042 0.000 2.070 183 A HA 0.380 4.699 4.320 -0.002 0.000 0.220 183 A C 1.932 179.515 177.584 -0.002 0.000 1.159 183 A CA 1.497 53.536 52.037 0.003 0.000 0.656 183 A CB -0.539 18.456 19.000 -0.008 0.000 0.800 183 A HN 1.631 nan 8.150 nan 0.000 0.453 184 G N -0.570 108.247 108.800 0.028 0.000 2.452 184 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.275 184 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.275 184 G C 0.401 175.324 174.900 0.039 0.000 1.131 184 G CA 0.505 45.626 45.100 0.035 0.000 1.031 184 G HN 0.645 nan 8.290 nan 0.000 0.511 185 K N -0.490 119.933 120.400 0.038 0.000 2.067 185 K HA 0.017 4.336 4.320 -0.002 0.000 0.203 185 K C 2.560 179.190 176.600 0.050 0.000 1.048 185 K CA 1.480 57.792 56.287 0.043 0.000 0.954 185 K CB -0.450 32.074 32.500 0.040 0.000 0.737 185 K HN 0.310 nan 8.250 nan 0.000 0.444 186 T N 2.152 116.730 114.554 0.039 0.000 2.649 186 T HA -0.194 4.155 4.350 -0.002 0.000 0.268 186 T C 2.202 176.945 174.700 0.072 0.000 1.036 186 T CA 2.021 64.147 62.100 0.044 0.000 1.157 186 T CB -0.898 67.989 68.868 0.032 0.000 0.861 186 T HN 0.027 nan 8.240 nan 0.000 0.445 187 V N 2.686 122.645 119.914 0.076 0.000 2.282 187 V HA -0.260 3.859 4.120 -0.002 0.000 0.249 187 V C 2.494 178.665 176.094 0.128 0.000 1.057 187 V CA 1.896 64.256 62.300 0.100 0.000 1.032 187 V CB -0.813 31.063 31.823 0.088 0.000 0.645 187 V HN 0.447 nan 8.190 nan 0.000 0.447 188 N N 0.507 119.270 118.700 0.104 0.000 2.106 188 N HA -0.120 4.619 4.740 -0.002 0.000 0.188 188 N C 1.987 177.523 175.510 0.043 0.000 1.029 188 N CA 2.099 55.192 53.050 0.072 0.000 0.848 188 N CB -0.718 37.795 38.487 0.043 0.000 1.007 188 N HN 0.583 nan 8.380 nan 0.000 0.423 189 T N 2.209 116.802 114.554 0.064 0.000 2.635 189 T HA -0.138 4.211 4.350 -0.002 0.000 0.267 189 T C 1.868 176.626 174.700 0.097 0.000 1.040 189 T CA 1.230 63.379 62.100 0.081 0.000 1.156 189 T CB -0.143 68.779 68.868 0.089 0.000 0.863 189 T HN 0.292 nan 8.240 nan 0.000 0.430 190 K N 0.699 121.160 120.400 0.103 0.000 2.009 190 K HA -0.084 4.235 4.320 -0.002 0.000 0.210 190 K C 2.664 179.341 176.600 0.128 0.000 1.049 190 K CA 1.320 57.678 56.287 0.118 0.000 0.929 190 K CB -0.239 32.334 32.500 0.121 0.000 0.714 190 K HN 0.108 nan 8.250 nan 0.000 0.440 191 R N 0.713 121.287 120.500 0.122 0.000 2.127 191 R HA -0.098 4.241 4.340 -0.002 0.000 0.238 191 R C 2.168 178.486 176.300 0.030 0.000 1.134 191 R CA 0.772 56.941 56.100 0.116 0.000 0.975 191 R CB -0.270 30.126 30.300 0.160 0.000 0.865 191 R HN 0.010 nan 8.270 nan 0.000 0.447 192 V N 0.513 120.418 119.914 -0.016 0.000 2.379 192 V HA -0.214 3.905 4.120 -0.002 0.000 0.245 192 V C 2.164 178.341 176.094 0.138 0.000 1.044 192 V CA 1.505 63.778 62.300 -0.045 0.000 1.036 192 V CB -0.350 31.480 31.823 0.011 0.000 0.664 192 V HN 0.282 nan 8.190 nan 0.000 0.453 193 I N 0.130 120.824 120.570 0.206 0.000 2.163 193 I HA -0.286 3.883 4.170 -0.002 0.000 0.243 193 I C 2.778 179.040 176.117 0.242 0.000 1.085 193 I CA 1.673 63.138 61.300 0.275 0.000 1.347 193 I CB -0.936 37.181 38.000 0.194 0.000 1.044 193 I HN 0.442 nan 8.210 nan 0.000 0.408 194 Q N 0.085 119.998 119.800 0.188 0.000 2.077 194 Q HA -0.288 4.051 4.340 -0.002 0.000 0.206 194 Q C 2.215 178.298 176.000 0.139 0.000 0.989 194 Q CA 2.007 57.907 55.803 0.162 0.000 0.853 194 Q CB -0.937 27.907 28.738 0.175 0.000 0.907 194 Q HN 0.523 nan 8.270 nan 0.000 0.418 195 Y N 0.830 121.143 120.300 0.021 0.000 2.069 195 Y HA -0.305 4.244 4.550 -0.002 0.000 0.278 195 Y C 2.059 177.833 175.900 -0.210 0.000 1.175 195 Y CA 1.704 59.740 58.100 -0.107 0.000 1.134 195 Y CB -0.529 37.804 38.460 -0.211 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.488 119.572 119.950 0.183 0.000 2.069 196 F HA -0.217 4.308 4.527 -0.002 0.000 0.298 196 F C 2.633 178.462 175.800 0.047 0.000 1.113 196 F CA 1.439 59.516 58.000 0.128 0.000 1.214 196 F CB -1.434 37.792 39.000 0.376 0.000 0.978 196 F HN 0.126 nan 8.300 nan 0.000 0.474 197 A N 0.113 123.073 122.820 0.233 0.000 1.883 197 A HA -0.238 4.081 4.320 -0.002 0.000 0.217 197 A C 2.269 179.869 177.584 0.027 0.000 1.186 197 A CA 2.765 54.880 52.037 0.129 0.000 0.624 197 A CB -1.480 17.579 19.000 0.098 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.727 115.244 114.554 -0.061 0.000 2.588 198 T HA -0.193 4.156 4.350 -0.002 0.000 0.261 198 T C 1.854 176.436 174.700 -0.197 0.000 1.069 198 T CA 1.476 63.496 62.100 -0.133 0.000 1.172 198 T CB -0.994 67.761 68.868 -0.187 0.000 0.863 198 T HN 0.810 nan 8.240 nan 0.000 0.408 199 I N 0.283 120.620 120.570 -0.388 0.000 3.102 199 I HA 0.227 4.396 4.170 -0.002 0.000 0.278 199 I C 0.961 176.916 176.117 -0.271 0.000 1.316 199 I CA 1.056 62.106 61.300 -0.417 0.000 1.425 199 I CB -0.708 36.873 38.000 -0.698 0.000 1.073 199 I HN 0.334 nan 8.210 nan 0.000 0.503 200 A N 1.091 123.842 122.820 -0.114 0.000 3.367 200 A HA 0.732 5.051 4.320 -0.002 0.000 0.208 200 A C 0.054 177.719 177.584 0.134 0.000 1.043 200 A CA 0.024 52.083 52.037 0.037 0.000 1.079 200 A CB -0.585 18.447 19.000 0.053 0.000 1.314 200 A HN 0.438 nan 8.150 nan 0.000 0.668 201 A N -0.186 122.674 122.820 0.066 0.000 2.309 201 A HA 0.702 5.021 4.320 -0.002 0.000 0.298 201 A C 0.585 178.204 177.584 0.058 0.000 1.165 201 A CA -0.110 51.965 52.037 0.064 0.000 0.821 201 A CB 0.712 19.730 19.000 0.030 0.000 1.102 201 A HN 0.731 nan 8.150 nan 0.000 0.500 202 S N 1.667 117.401 115.700 0.057 0.000 2.592 202 S HA 0.359 4.828 4.470 -0.002 0.000 0.243 202 S C 0.592 175.207 174.600 0.025 0.000 1.160 202 S CA 0.260 58.486 58.200 0.044 0.000 1.145 202 S CB -0.080 63.153 63.200 0.054 0.000 0.909 202 S HN 1.105 nan 8.310 nan 0.000 0.487 203 G N 1.489 110.300 108.800 0.019 0.000 4.403 203 G HA2 0.337 4.295 3.960 -0.002 0.000 0.297 203 G HA3 0.337 4.295 3.960 -0.002 0.000 0.297 203 G C 0.045 174.950 174.900 0.008 0.000 1.325 203 G CA -0.414 44.692 45.100 0.010 0.000 1.378 203 G HN 0.456 nan 8.290 nan 0.000 0.595 219 E N 1.174 121.381 120.200 0.013 0.000 2.301 219 E HA -0.242 4.107 4.350 -0.002 0.000 0.202 219 E C 0.845 177.462 176.600 0.029 0.000 1.017 219 E CA 1.952 58.369 56.400 0.027 0.000 0.831 219 E CB -0.053 29.665 29.700 0.030 0.000 0.742 219 E HN 0.554 nan 8.360 nan 0.000 0.491 220 D N -0.357 120.054 120.400 0.019 0.000 2.369 220 D HA -0.050 4.589 4.640 -0.002 0.000 0.231 220 D C 1.933 178.244 176.300 0.018 0.000 0.967 220 D CA 0.419 54.432 54.000 0.022 0.000 0.905 220 D CB -0.387 40.423 40.800 0.017 0.000 1.044 220 D HN 0.235 nan 8.370 nan 0.000 0.487 221 Q N 0.989 120.790 119.800 0.003 0.000 2.077 221 Q HA -0.148 4.191 4.340 -0.002 0.000 0.206 221 Q C 2.359 178.358 176.000 -0.001 0.000 0.989 221 Q CA 0.905 56.702 55.803 -0.010 0.000 0.853 221 Q CB -0.192 28.524 28.738 -0.038 0.000 0.907 221 Q HN 0.265 nan 8.270 nan 0.000 0.418 222 I N 1.320 121.893 120.570 0.005 0.000 2.113 222 I HA -0.301 3.868 4.170 -0.002 0.000 0.242 222 I C 2.488 178.631 176.117 0.043 0.000 1.064 222 I CA 1.536 62.848 61.300 0.020 0.000 1.320 222 I CB -0.845 37.174 38.000 0.032 0.000 1.028 222 I HN 0.242 nan 8.210 nan 0.000 0.406 223 I N -0.002 120.597 120.570 0.048 0.000 2.162 223 I HA -0.220 3.949 4.170 -0.002 0.000 0.238 223 I C 2.550 178.706 176.117 0.064 0.000 1.076 223 I CA 1.078 62.416 61.300 0.063 0.000 1.353 223 I CB -0.702 37.334 38.000 0.060 0.000 1.063 223 I HN 0.134 nan 8.210 nan 0.000 0.408 224 S N 1.066 116.794 115.700 0.047 0.000 2.441 224 S HA -0.235 4.234 4.470 -0.002 0.000 0.242 224 S C 2.145 176.774 174.600 0.049 0.000 1.018 224 S CA 1.266 59.494 58.200 0.046 0.000 0.988 224 S CB -0.417 62.803 63.200 0.033 0.000 0.778 224 S HN 0.548 nan 8.310 nan 0.000 0.498 225 A N 3.225 126.071 122.820 0.045 0.000 1.859 225 A HA -0.260 4.059 4.320 -0.002 0.000 0.217 225 A C 1.955 179.580 177.584 0.069 0.000 1.198 225 A CA 1.904 53.962 52.037 0.036 0.000 0.629 225 A CB -0.921 18.099 19.000 0.033 0.000 0.830 225 A HN 0.607 nan 8.150 nan 0.000 0.446 226 N N 0.545 119.326 118.700 0.135 0.000 2.027 226 N HA -0.173 4.566 4.740 -0.002 0.000 0.200 226 N C -0.930 174.698 175.510 0.197 0.000 1.042 226 N CA 2.044 55.234 53.050 0.232 0.000 0.871 226 N CB -2.273 36.357 38.487 0.239 0.000 1.063 226 N HN 0.348 nan 8.380 nan 0.000 0.438 227 P HA -0.087 nan 4.420 nan 0.000 0.227 227 P C 1.549 178.903 177.300 0.091 0.000 1.145 227 P CA 0.667 63.839 63.100 0.120 0.000 0.769 227 P CB -0.001 31.750 31.700 0.086 0.000 0.769 228 L N -1.321 119.943 121.223 0.068 0.000 2.185 228 L HA 0.069 4.407 4.340 -0.002 0.000 0.198 228 L C 2.096 179.039 176.870 0.121 0.000 1.079 228 L CA 1.290 56.174 54.840 0.072 0.000 0.780 228 L CB -1.443 40.615 42.059 -0.001 0.000 0.955 228 L HN -0.245 nan 8.230 nan 0.000 0.462 229 L N 0.489 121.669 121.223 -0.071 0.000 2.051 229 L HA -0.256 4.083 4.340 -0.002 0.000 0.214 229 L C 2.592 179.350 176.870 -0.187 0.000 1.076 229 L CA 1.768 56.407 54.840 -0.336 0.000 0.758 229 L CB -1.246 40.255 42.059 -0.931 0.000 0.890 229 L HN 0.437 nan 8.230 nan 0.000 0.433 230 E N -1.111 119.129 120.200 0.066 0.000 2.153 230 E HA -0.177 4.171 4.350 -0.002 0.000 0.194 230 E C 2.167 178.922 176.600 0.258 0.000 0.988 230 E CA 1.095 57.686 56.400 0.319 0.000 0.811 230 E CB -0.115 29.811 29.700 0.377 0.000 0.746 230 E HN 0.525 nan 8.360 nan 0.000 0.466 231 A N 0.272 123.167 122.820 0.125 0.000 2.015 231 A HA -0.102 4.217 4.320 -0.002 0.000 0.219 231 A C 1.656 179.078 177.584 -0.270 0.000 1.163 231 A CA 1.018 53.014 52.037 -0.067 0.000 0.646 231 A CB -0.334 18.461 19.000 -0.343 0.000 0.806 231 A HN 0.146 nan 8.150 nan 0.000 0.448 232 F N -1.216 118.749 119.950 0.025 0.000 2.559 232 F HA 0.251 4.777 4.527 -0.002 0.000 0.286 232 F C 2.261 177.952 175.800 -0.182 0.000 1.108 232 F CA 0.733 58.711 58.000 -0.038 0.000 1.436 232 F CB -0.054 38.922 39.000 -0.041 0.000 1.130 232 F HN 0.243 nan 8.300 nan 0.000 0.584 233 G N -0.765 108.137 108.800 0.171 0.000 3.393 233 G HA2 0.159 4.118 3.960 -0.002 0.000 0.255 233 G HA3 0.159 4.118 3.960 -0.002 0.000 0.255 233 G C -0.294 174.918 174.900 0.518 0.000 1.097 233 G CA -0.038 45.144 45.100 0.137 0.000 0.780 233 G HN 0.072 nan 8.290 nan 0.000 0.540 234 N N -0.162 118.789 118.700 0.419 0.000 2.265 234 N HA 0.817 5.556 4.740 -0.002 0.000 0.300 234 N C -0.494 174.800 175.510 -0.361 0.000 1.148 234 N CA -0.059 53.084 53.050 0.155 0.000 0.772 234 N CB 2.308 40.943 38.487 0.247 0.000 1.434 234 N HN 0.218 nan 8.380 nan 0.000 0.481 235 A N 0.156 122.771 122.820 -0.342 0.000 2.586 235 A HA 0.444 4.763 4.320 -0.002 0.000 0.290 235 A C -1.415 176.138 177.584 -0.052 0.000 1.086 235 A CA -0.753 51.047 52.037 -0.396 0.000 0.665 235 A CB 1.053 19.772 19.000 -0.468 0.000 1.279 235 A HN 0.459 nan 8.150 nan 0.000 0.423 236 K N 1.570 121.986 120.400 0.026 0.000 2.338 236 K HA 0.356 4.675 4.320 -0.002 0.000 0.290 236 K C -0.535 176.030 176.600 -0.059 0.000 1.069 236 K CA 0.390 56.686 56.287 0.014 0.000 0.941 236 K CB 0.050 32.541 32.500 -0.014 0.000 1.023 236 K HN 0.702 nan 8.250 nan 0.000 0.477 237 T N 2.133 116.657 114.554 -0.050 0.000 2.927 237 T HA 0.032 4.381 4.350 -0.002 0.000 0.281 237 T C 1.249 175.905 174.700 -0.074 0.000 0.998 237 T CA -0.676 61.379 62.100 -0.076 0.000 1.019 237 T CB 1.762 70.590 68.868 -0.067 0.000 1.061 237 T HN 0.426 nan 8.240 nan 0.000 0.518 238 V N 1.400 121.258 119.914 -0.093 0.000 2.913 238 V HA -0.065 4.053 4.120 -0.002 0.000 0.260 238 V C 2.125 178.177 176.094 -0.069 0.000 1.098 238 V CA 1.679 63.928 62.300 -0.087 0.000 1.121 238 V CB -0.546 31.215 31.823 -0.104 0.000 0.714 238 V HN 0.640 nan 8.190 nan 0.000 0.487 239 R N -0.521 119.939 120.500 -0.066 0.000 2.087 239 R HA 0.162 4.501 4.340 -0.002 0.000 0.213 239 R C 0.902 177.190 176.300 -0.020 0.000 1.137 239 R CA 0.368 56.443 56.100 -0.042 0.000 1.022 239 R CB -0.075 30.201 30.300 -0.040 0.000 0.920 239 R HN 0.429 nan 8.270 nan 0.000 0.451 240 N N 0.071 118.764 118.700 -0.012 0.000 2.483 240 N HA 0.050 4.789 4.740 -0.002 0.000 0.285 240 N C -0.395 175.121 175.510 0.010 0.000 1.210 240 N CA -0.110 52.945 53.050 0.009 0.000 0.931 240 N CB 1.595 40.099 38.487 0.028 0.000 1.220 240 N HN -0.152 nan 8.380 nan 0.000 0.542 241 D N -0.591 119.825 120.400 0.028 0.000 2.423 241 D HA 0.118 4.756 4.640 -0.002 0.000 0.208 241 D C -0.391 175.971 176.300 0.102 0.000 1.068 241 D CA 0.528 54.549 54.000 0.035 0.000 0.860 241 D CB 0.190 40.995 40.800 0.009 0.000 0.992 241 D HN 0.406 nan 8.370 nan 0.000 0.504 242 N N -0.057 118.715 118.700 0.119 0.000 2.703 242 N HA 0.101 4.840 4.740 -0.002 0.000 0.283 242 N C -1.400 174.202 175.510 0.153 0.000 1.851 242 N CA -0.059 53.118 53.050 0.211 0.000 0.826 242 N CB 0.654 39.257 38.487 0.193 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.220 115.540 115.700 0.100 0.000 2.565 243 S HA 0.267 4.736 4.470 -0.002 0.000 0.276 243 S C 0.112 174.770 174.600 0.097 0.000 1.326 243 S CA -0.196 58.046 58.200 0.070 0.000 1.045 243 S CB 0.490 63.706 63.200 0.026 0.000 0.918 243 S HN 0.330 nan 8.310 nan 0.000 0.505 244 S N 3.255 119.009 115.700 0.090 0.000 2.430 244 S HA 0.206 4.675 4.470 -0.002 0.000 0.282 244 S C 1.132 175.819 174.600 0.145 0.000 1.186 244 S CA -0.499 57.769 58.200 0.114 0.000 1.060 244 S CB 0.047 63.231 63.200 -0.027 0.000 0.966 244 S HN 0.600 nan 8.310 nan 0.000 0.501 245 R N 2.777 123.417 120.500 0.234 0.000 2.334 245 R HA 0.150 4.489 4.340 -0.002 0.000 0.216 245 R C -0.048 176.375 176.300 0.204 0.000 0.905 245 R CA 0.180 56.392 56.100 0.187 0.000 1.064 245 R CB -0.167 30.221 30.300 0.146 0.000 1.046 245 R HN 0.649 nan 8.270 nan 0.000 0.508 246 F N -2.103 117.954 119.950 0.177 0.000 2.631 246 F HA 0.807 5.333 4.527 -0.002 0.000 0.328 246 F C 0.150 176.090 175.800 0.232 0.000 1.067 246 F CA -1.614 56.510 58.000 0.206 0.000 0.969 246 F CB 0.642 39.801 39.000 0.266 0.000 1.332 246 F HN -0.172 nan 8.300 nan 0.000 0.490 247 G N 0.575 109.647 108.800 0.453 0.000 2.461 247 G HA2 0.622 4.581 3.960 -0.002 0.000 0.329 247 G HA3 0.622 4.581 3.960 -0.002 0.000 0.329 247 G C -1.792 173.454 174.900 0.577 0.000 1.170 247 G CA -0.982 44.352 45.100 0.391 0.000 0.935 247 G HN 1.100 nan 8.290 nan 0.000 0.492 248 K N -1.182 119.509 120.400 0.485 0.000 2.587 248 K HA 0.583 4.902 4.320 -0.002 0.000 0.276 248 K C -2.474 174.440 176.600 0.524 0.000 0.956 248 K CA -0.916 55.664 56.287 0.489 0.000 0.857 248 K CB 2.074 34.834 32.500 0.433 0.000 1.431 248 K HN 0.382 nan 8.250 nan 0.000 0.420 249 F N 3.646 123.748 119.950 0.253 0.000 2.671 249 F HA 0.499 5.025 4.527 -0.002 0.000 0.332 249 F C -1.587 174.271 175.800 0.096 0.000 1.189 249 F CA -0.901 57.220 58.000 0.202 0.000 0.988 249 F CB 1.040 40.221 39.000 0.301 0.000 1.258 249 F HN 0.456 nan 8.300 nan 0.000 0.471 250 I N 5.621 126.020 120.570 -0.285 0.000 2.359 250 I HA 0.498 4.667 4.170 -0.002 0.000 0.294 250 I C -0.339 175.453 176.117 -0.542 0.000 0.987 250 I CA -0.751 60.354 61.300 -0.324 0.000 1.225 250 I CB 1.664 39.588 38.000 -0.127 0.000 1.366 250 I HN 0.430 nan 8.210 nan 0.000 0.466 251 R N 5.997 126.222 120.500 -0.457 0.000 2.275 251 R HA 0.530 4.868 4.340 -0.002 0.000 0.326 251 R C -1.030 175.070 176.300 -0.334 0.000 0.973 251 R CA -0.480 55.317 56.100 -0.504 0.000 0.854 251 R CB 0.993 30.853 30.300 -0.734 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.464 123.866 120.570 -0.281 0.000 2.322 252 I HA 0.110 4.279 4.170 -0.002 0.000 0.292 252 I C -0.046 175.794 176.117 -0.462 0.000 1.060 252 I CA -0.376 60.694 61.300 -0.382 0.000 1.309 252 I CB 0.530 38.235 38.000 -0.492 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.473 125.344 119.070 -0.332 0.000 2.846 253 H HA 0.318 4.873 4.556 -0.002 0.000 0.278 253 H C -0.550 174.617 175.328 -0.268 0.000 1.117 253 H CA -0.081 55.877 56.048 -0.151 0.000 1.406 253 H CB 0.165 29.867 29.762 -0.100 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.008 121.057 119.950 0.166 0.000 2.380 254 F HA 0.321 4.847 4.527 -0.002 0.000 0.325 254 F C 1.601 177.450 175.800 0.082 0.000 1.136 254 F CA 0.031 58.121 58.000 0.150 0.000 1.171 254 F CB 0.804 39.929 39.000 0.209 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.242 109.196 108.800 0.258 0.000 2.494 255 G HA2 0.414 4.372 3.960 -0.002 0.000 0.270 255 G HA3 0.414 4.372 3.960 -0.002 0.000 0.270 255 G C 0.697 175.603 174.900 0.010 0.000 1.423 255 G CA -0.052 45.103 45.100 0.091 0.000 1.055 255 G HN 0.804 nan 8.290 nan 0.000 0.536 256 A N -1.448 121.358 122.820 -0.022 0.000 1.903 256 A HA 0.082 4.400 4.320 -0.002 0.000 0.213 256 A C 2.551 180.171 177.584 0.061 0.000 1.185 256 A CA 2.343 54.356 52.037 -0.040 0.000 0.628 256 A CB -1.131 17.849 19.000 -0.033 0.000 0.830 256 A HN 0.833 nan 8.150 nan 0.000 0.446 257 T N -3.149 111.446 114.554 0.069 0.000 2.622 257 T HA 0.233 4.582 4.350 -0.002 0.000 0.266 257 T C 1.525 176.292 174.700 0.111 0.000 1.047 257 T CA 2.043 64.192 62.100 0.082 0.000 1.159 257 T CB -0.591 68.326 68.868 0.081 0.000 0.863 257 T HN 1.523 nan 8.240 nan 0.000 0.422 258 G N 0.237 109.133 108.800 0.160 0.000 2.870 258 G HA2 0.018 3.977 3.960 -0.002 0.000 0.216 258 G HA3 0.018 3.977 3.960 -0.002 0.000 0.216 258 G C -0.176 174.940 174.900 0.360 0.000 0.973 258 G CA -0.587 44.631 45.100 0.197 0.000 0.807 258 G HN 0.500 nan 8.290 nan 0.000 0.573 259 K N 0.982 121.558 120.400 0.293 0.000 2.110 259 K HA 0.534 4.853 4.320 -0.002 0.000 0.263 259 K C 0.871 177.663 176.600 0.320 0.000 0.975 259 K CA -0.795 55.672 56.287 0.299 0.000 0.895 259 K CB 1.934 34.537 32.500 0.172 0.000 1.060 259 K HN 0.202 nan 8.250 nan 0.000 0.448 260 L N 1.495 122.904 121.223 0.311 0.000 2.640 260 L HA -0.247 4.092 4.340 -0.002 0.000 0.300 260 L C 1.059 177.944 176.870 0.025 0.000 1.259 260 L CA 0.552 55.453 54.840 0.100 0.000 0.879 260 L CB 0.285 42.375 42.059 0.051 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.742 124.526 122.820 -0.059 0.000 1.895 261 A HA 0.385 4.704 4.320 -0.002 0.000 0.198 261 A C 0.350 177.886 177.584 -0.078 0.000 1.709 261 A CA 0.288 52.300 52.037 -0.041 0.000 1.194 261 A CB 0.577 19.572 19.000 -0.008 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.942 113.703 115.700 -0.092 0.000 2.611 262 S HA 0.758 5.227 4.470 -0.002 0.000 0.268 262 S C -0.617 173.951 174.600 -0.054 0.000 1.156 262 S CA -0.095 58.045 58.200 -0.100 0.000 0.817 262 S CB 1.541 64.626 63.200 -0.193 0.000 1.122 262 S HN 1.478 nan 8.310 nan 0.000 0.466 263 A N 0.481 123.264 122.820 -0.062 0.000 2.532 263 A HA 0.890 5.208 4.320 -0.002 0.000 0.290 263 A C -1.918 175.623 177.584 -0.072 0.000 1.143 263 A CA -0.478 51.524 52.037 -0.058 0.000 0.728 263 A CB 1.689 20.630 19.000 -0.099 0.000 1.317 263 A HN 0.726 nan 8.150 nan 0.000 0.414 264 D N 1.108 121.445 120.400 -0.105 0.000 2.354 264 D HA 0.351 4.989 4.640 -0.002 0.000 0.230 264 D C -1.251 174.958 176.300 -0.152 0.000 1.361 264 D CA -0.020 53.900 54.000 -0.133 0.000 0.992 264 D CB 0.844 41.572 40.800 -0.121 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.451 121.936 120.570 -0.142 0.000 2.566 265 I HA 0.414 4.583 4.170 -0.002 0.000 0.303 265 I C 0.273 176.312 176.117 -0.130 0.000 0.983 265 I CA -0.540 60.691 61.300 -0.115 0.000 1.235 265 I CB 1.821 39.755 38.000 -0.109 0.000 1.386 265 I HN 0.211 nan 8.210 nan 0.000 0.494 266 E N 2.189 122.335 120.200 -0.090 0.000 2.304 266 E HA 0.408 4.756 4.350 -0.002 0.000 0.277 266 E C -1.575 174.843 176.600 -0.303 0.000 0.898 266 E CA -0.495 55.782 56.400 -0.206 0.000 0.764 266 E CB 2.155 31.763 29.700 -0.153 0.000 1.216 266 E HN 0.544 nan 8.360 nan 0.000 0.419 267 T N 2.713 117.032 114.554 -0.392 0.000 2.855 267 T HA 0.536 4.885 4.350 -0.002 0.000 0.281 267 T C -1.411 173.310 174.700 0.035 0.000 1.007 267 T CA -0.348 61.718 62.100 -0.055 0.000 1.009 267 T CB 0.420 69.080 68.868 -0.347 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.874 121.520 120.300 0.577 0.000 2.442 268 Y HA 0.526 5.075 4.550 -0.002 0.000 0.344 268 Y C 0.009 176.053 175.900 0.240 0.000 0.976 268 Y CA -1.722 56.604 58.100 0.376 0.000 1.040 268 Y CB 1.063 39.712 38.460 0.315 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.174 124.529 121.223 0.220 0.000 3.642 269 L HA -0.258 4.081 4.340 -0.002 0.000 0.613 269 L C 0.573 177.479 176.870 0.061 0.000 1.064 269 L CA 0.095 54.969 54.840 0.057 0.000 1.039 269 L CB -0.463 41.628 42.059 0.054 0.000 1.226 269 L HN 0.702 nan 8.230 nan 0.000 0.764 270 L N 1.848 122.980 121.223 -0.151 0.000 2.591 270 L HA 0.211 4.550 4.340 -0.002 0.000 0.228 270 L C 1.181 178.433 176.870 0.636 0.000 1.133 270 L CA 1.281 56.124 54.840 0.006 0.000 0.880 270 L CB -0.225 41.427 42.059 -0.678 0.000 1.033 270 L HN 0.557 nan 8.230 nan 0.000 0.450 271 E N -0.028 120.183 120.200 0.018 0.000 3.243 271 E HA -0.218 4.131 4.350 -0.002 0.000 0.178 271 E C 0.663 177.345 176.600 0.136 0.000 1.421 271 E CA 0.294 56.726 56.400 0.054 0.000 0.787 271 E CB -0.575 29.167 29.700 0.070 0.000 1.099 271 E HN 0.467 nan 8.360 nan 0.000 0.396 272 K N -0.103 120.348 120.400 0.085 0.000 2.152 272 K HA -0.164 4.155 4.320 -0.002 0.000 0.206 272 K C 1.877 178.520 176.600 0.072 0.000 1.048 272 K CA 1.661 57.999 56.287 0.085 0.000 0.933 272 K CB -0.064 32.502 32.500 0.110 0.000 0.721 272 K HN 0.405 nan 8.250 nan 0.000 0.447 273 S N 1.170 116.933 115.700 0.105 0.000 2.400 273 S HA -0.148 4.321 4.470 -0.002 0.000 0.232 273 S C 1.743 176.388 174.600 0.075 0.000 1.025 273 S CA 0.940 59.175 58.200 0.058 0.000 0.993 273 S CB -0.266 62.985 63.200 0.086 0.000 0.808 273 S HN 0.309 nan 8.310 nan 0.000 0.478 274 R N 0.864 121.411 120.500 0.079 0.000 2.091 274 R HA -0.063 4.276 4.340 -0.002 0.000 0.238 274 R C 2.200 178.488 176.300 -0.020 0.000 1.136 274 R CA 1.474 57.563 56.100 -0.019 0.000 0.959 274 R CB -1.069 29.037 30.300 -0.323 0.000 0.856 274 R HN 0.337 nan 8.270 nan 0.000 0.437 275 V N 0.311 120.238 119.914 0.022 0.000 2.527 275 V HA -0.259 3.859 4.120 -0.002 0.000 0.255 275 V C 1.751 177.670 176.094 -0.292 0.000 1.081 275 V CA 2.180 64.398 62.300 -0.136 0.000 1.092 275 V CB -0.464 31.205 31.823 -0.255 0.000 0.673 275 V HN 0.425 nan 8.190 nan 0.000 0.470 276 T N -2.544 111.839 114.554 -0.286 0.000 2.958 276 T HA 0.325 4.673 4.350 -0.002 0.000 0.256 276 T C -0.189 174.410 174.700 -0.167 0.000 0.983 276 T CA -0.000 61.796 62.100 -0.507 0.000 0.924 276 T CB 0.356 68.961 68.868 -0.437 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.052 121.863 119.950 -0.233 0.000 2.692 277 F HA 0.630 5.156 4.527 -0.002 0.000 0.320 277 F C -1.861 173.865 175.800 -0.123 0.000 1.123 277 F CA -0.888 57.020 58.000 -0.153 0.000 0.961 277 F CB 1.601 40.546 39.000 -0.092 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.512 122.752 119.800 -0.933 0.000 2.518 278 Q HA 0.324 4.663 4.340 -0.002 0.000 0.254 278 Q C -2.166 173.244 176.000 -0.984 0.000 0.962 278 Q CA -0.786 54.582 55.803 -0.725 0.000 0.982 278 Q CB 1.676 30.205 28.738 -0.349 0.000 1.516 278 Q HN 0.787 nan 8.270 nan 0.000 0.426 279 L N 2.573 123.445 121.223 -0.585 0.000 2.472 279 L HA 0.197 4.536 4.340 -0.002 0.000 0.260 279 L C -1.201 175.497 176.870 -0.287 0.000 1.209 279 L CA -1.555 53.049 54.840 -0.393 0.000 0.817 279 L CB 0.242 42.183 42.059 -0.197 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.150 nan 4.420 nan 0.000 0.218 280 P C 0.514 177.743 177.300 -0.118 0.000 1.148 280 P CA 1.246 64.262 63.100 -0.140 0.000 0.822 280 P CB 0.185 31.825 31.700 -0.100 0.000 0.784 281 A N -1.382 121.364 122.820 -0.123 0.000 2.348 281 A HA 0.108 4.426 4.320 -0.002 0.000 0.224 281 A C 0.873 178.386 177.584 -0.118 0.000 1.227 281 A CA -0.001 51.973 52.037 -0.106 0.000 0.885 281 A CB -0.177 18.767 19.000 -0.094 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.173 119.942 120.200 -0.143 0.000 2.469 282 E HA 0.670 5.019 4.350 -0.002 0.000 0.246 282 E C -0.320 176.184 176.600 -0.160 0.000 0.969 282 E CA -1.008 55.304 56.400 -0.147 0.000 0.881 282 E CB 0.990 30.596 29.700 -0.155 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.857 119.554 120.500 -0.149 0.000 2.752 283 R HA 0.457 4.796 4.340 -0.002 0.000 0.271 283 R C -0.825 175.435 176.300 -0.067 0.000 1.026 283 R CA -0.673 55.358 56.100 -0.114 0.000 0.901 283 R CB 1.614 31.787 30.300 -0.211 0.000 1.243 283 R HN 0.437 nan 8.270 nan 0.000 0.463 284 S N -0.282 115.486 115.700 0.114 0.000 2.640 284 S HA 0.296 4.764 4.470 -0.002 0.000 0.262 284 S C -0.410 174.245 174.600 0.092 0.000 1.232 284 S CA -0.550 57.665 58.200 0.024 0.000 0.988 284 S CB 0.051 63.294 63.200 0.070 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.430 121.836 120.300 0.176 0.000 2.812 285 Y HA -0.024 4.525 4.550 -0.002 0.000 0.348 285 Y C 2.008 177.981 175.900 0.122 0.000 1.274 285 Y CA 0.709 58.828 58.100 0.031 0.000 1.489 285 Y CB 0.186 38.665 38.460 0.032 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.384 120.612 119.070 0.262 0.000 2.326 286 H HA -0.151 4.403 4.556 -0.002 0.000 0.301 286 H C 2.356 177.720 175.328 0.059 0.000 1.081 286 H CA 1.670 57.841 56.048 0.206 0.000 1.334 286 H CB -0.456 29.363 29.762 0.094 0.000 1.385 286 H HN 0.810 nan 8.280 nan 0.000 0.504 287 I N 0.779 121.286 120.570 -0.104 0.000 2.161 287 I HA -0.406 3.763 4.170 -0.002 0.000 0.246 287 I C 1.921 177.866 176.117 -0.287 0.000 1.048 287 I CA 1.601 62.660 61.300 -0.401 0.000 1.314 287 I CB -0.291 37.145 38.000 -0.940 0.000 1.014 287 I HN -0.044 nan 8.210 nan 0.000 0.418 288 F N -0.212 119.637 119.950 -0.168 0.000 2.069 288 F HA -0.236 4.290 4.527 -0.002 0.000 0.298 288 F C 2.219 177.802 175.800 -0.362 0.000 1.113 288 F CA 1.909 59.699 58.000 -0.350 0.000 1.214 288 F CB -1.319 37.311 39.000 -0.616 0.000 0.978 288 F HN 0.110 nan 8.300 nan 0.000 0.474 289 Y N -0.586 119.824 120.300 0.183 0.000 2.373 289 Y HA -0.125 4.424 4.550 -0.002 0.000 0.293 289 Y C 2.454 178.377 175.900 0.038 0.000 1.129 289 Y CA 0.776 58.927 58.100 0.085 0.000 1.226 289 Y CB -1.071 37.434 38.460 0.075 0.000 1.000 289 Y HN 0.115 nan 8.280 nan 0.000 0.549 290 Q N 0.506 120.393 119.800 0.144 0.000 1.967 290 Q HA -0.174 4.165 4.340 -0.002 0.000 0.202 290 Q C 2.260 178.282 176.000 0.036 0.000 0.985 290 Q CA 2.019 57.861 55.803 0.066 0.000 0.839 290 Q CB -0.339 28.407 28.738 0.014 0.000 0.906 290 Q HN 0.443 nan 8.270 nan 0.000 0.423 291 I N 0.164 120.741 120.570 0.011 0.000 2.185 291 I HA -0.345 3.824 4.170 -0.002 0.000 0.246 291 I C 2.059 178.163 176.117 -0.022 0.000 1.088 291 I CA 1.431 62.723 61.300 -0.013 0.000 1.347 291 I CB -0.224 37.769 38.000 -0.012 0.000 1.041 291 I HN 0.431 nan 8.210 nan 0.000 0.415 292 M N 0.031 119.626 119.600 -0.007 0.000 2.659 292 M HA -0.063 4.415 4.480 -0.002 0.000 0.243 292 M C 2.213 178.532 176.300 0.032 0.000 1.111 292 M CA 0.733 56.033 55.300 0.000 0.000 1.070 292 M CB -0.228 32.368 32.600 -0.006 0.000 1.525 292 M HN 0.288 nan 8.290 nan 0.000 0.517 293 S N 0.682 116.404 115.700 0.037 0.000 2.402 293 S HA -0.150 4.319 4.470 -0.002 0.000 0.229 293 S C 0.954 175.566 174.600 0.021 0.000 1.021 293 S CA 1.368 59.591 58.200 0.037 0.000 0.974 293 S CB -0.423 62.798 63.200 0.034 0.000 0.800 293 S HN 0.716 nan 8.310 nan 0.000 0.484 294 N N -0.510 118.193 118.700 0.005 0.000 2.989 294 N HA -0.137 4.602 4.740 -0.002 0.000 0.247 294 N C 0.403 175.908 175.510 -0.008 0.000 1.119 294 N CA 0.728 53.777 53.050 -0.003 0.000 0.755 294 N CB -1.168 37.325 38.487 0.009 0.000 1.100 294 N HN 0.525 nan 8.380 nan 0.000 0.550 295 K N 0.728 121.120 120.400 -0.013 0.000 2.365 295 K HA 0.131 4.449 4.320 -0.002 0.000 0.197 295 K C -0.148 176.438 176.600 -0.023 0.000 1.042 295 K CA 0.787 57.066 56.287 -0.012 0.000 0.987 295 K CB 0.363 32.859 32.500 -0.006 0.000 0.779 295 K HN 0.134 nan 8.250 nan 0.000 0.484 296 K N 0.910 121.284 120.400 -0.043 0.000 2.842 296 K HA 0.173 4.492 4.320 -0.002 0.000 0.176 296 K C -2.425 174.133 176.600 -0.069 0.000 1.080 296 K CA -1.538 54.710 56.287 -0.064 0.000 0.954 296 K CB 1.604 34.038 32.500 -0.110 0.000 1.203 296 K HN -0.046 nan 8.250 nan 0.000 0.611 297 P HA -0.238 nan 4.420 nan 0.000 0.217 297 P C 0.552 177.831 177.300 -0.034 0.000 1.148 297 P CA 1.469 64.552 63.100 -0.029 0.000 0.834 297 P CB 0.357 32.050 31.700 -0.012 0.000 0.783 298 E N -0.263 119.912 120.200 -0.042 0.000 2.097 298 E HA -0.194 4.155 4.350 -0.002 0.000 0.196 298 E C 1.990 178.558 176.600 -0.052 0.000 1.000 298 E CA 0.915 57.293 56.400 -0.037 0.000 0.804 298 E CB -1.346 28.329 29.700 -0.042 0.000 0.740 298 E HN 0.119 nan 8.360 nan 0.000 0.454 299 L N 0.363 121.521 121.223 -0.109 0.000 2.021 299 L HA -0.215 4.124 4.340 -0.002 0.000 0.215 299 L C 2.235 179.060 176.870 -0.076 0.000 1.074 299 L CA 1.529 56.271 54.840 -0.163 0.000 0.760 299 L CB -0.611 41.271 42.059 -0.294 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.623 119.918 120.570 -0.048 0.000 2.208 300 I HA -0.305 3.864 4.170 -0.002 0.000 0.245 300 I C 2.069 178.207 176.117 0.036 0.000 1.097 300 I CA 1.570 62.867 61.300 -0.005 0.000 1.363 300 I CB -0.386 37.616 38.000 0.003 0.000 1.051 300 I HN 0.342 nan 8.210 nan 0.000 0.413 301 D N -0.544 119.874 120.400 0.030 0.000 2.213 301 D HA -0.111 4.528 4.640 -0.002 0.000 0.205 301 D C 2.118 178.460 176.300 0.070 0.000 0.961 301 D CA 0.913 54.943 54.000 0.049 0.000 0.853 301 D CB -0.062 40.758 40.800 0.032 0.000 0.967 301 D HN 0.364 nan 8.370 nan 0.000 0.496 302 M N 0.353 119.985 119.600 0.053 0.000 2.132 302 M HA -0.148 4.331 4.480 -0.002 0.000 0.263 302 M C 1.332 177.709 176.300 0.129 0.000 1.065 302 M CA 1.309 56.656 55.300 0.078 0.000 1.122 302 M CB 0.178 32.793 32.600 0.025 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.252 121.541 121.223 0.110 0.000 2.446 303 L HA 0.241 4.580 4.340 -0.002 0.000 0.219 303 L C 0.688 177.718 176.870 0.267 0.000 1.116 303 L CA 0.815 55.754 54.840 0.165 0.000 0.844 303 L CB -0.381 41.739 42.059 0.103 0.000 0.970 303 L HN 0.469 nan 8.230 nan 0.000 0.457 304 L N -0.522 120.828 121.223 0.212 0.000 3.487 304 L HA -0.206 4.133 4.340 -0.002 0.000 0.450 304 L C -0.266 176.805 176.870 0.336 0.000 1.290 304 L CA 0.095 55.080 54.840 0.241 0.000 0.874 304 L CB -2.041 40.148 42.059 0.216 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.526 116.178 120.570 0.223 0.000 3.445 305 I HA 0.879 5.048 4.170 -0.002 0.000 0.303 305 I C 0.823 177.062 176.117 0.204 0.000 1.129 305 I CA -0.448 60.999 61.300 0.246 0.000 0.989 305 I CB 1.783 39.768 38.000 -0.025 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.342 112.381 114.554 0.282 0.000 2.876 306 T HA 0.389 4.738 4.350 -0.002 0.000 0.277 306 T C 0.731 175.514 174.700 0.139 0.000 0.997 306 T CA 0.190 62.410 62.100 0.200 0.000 0.966 306 T CB 1.208 70.210 68.868 0.223 0.000 1.312 306 T HN 0.831 nan 8.240 nan 0.000 0.598 307 T N -2.669 111.958 114.554 0.121 0.000 3.001 307 T HA 0.207 4.556 4.350 -0.002 0.000 0.251 307 T C 0.570 175.340 174.700 0.118 0.000 1.040 307 T CA -0.294 61.858 62.100 0.088 0.000 0.985 307 T CB -0.308 68.601 68.868 0.068 0.000 1.011 307 T HN 0.533 nan 8.240 nan 0.000 0.509 308 N N 2.723 121.523 118.700 0.166 0.000 2.439 308 N HA 0.323 5.061 4.740 -0.002 0.000 0.249 308 N C -2.223 173.434 175.510 0.246 0.000 1.003 308 N CA -2.613 50.556 53.050 0.198 0.000 0.942 308 N CB 1.839 40.444 38.487 0.196 0.000 1.115 308 N HN -0.072 nan 8.380 nan 0.000 0.505 309 P HA -0.028 nan 4.420 nan 0.000 0.226 309 P C 0.271 177.616 177.300 0.076 0.000 1.153 309 P CA 0.925 64.091 63.100 0.110 0.000 0.777 309 P CB -0.041 31.624 31.700 -0.058 0.000 0.794 310 Y N -0.424 119.962 120.300 0.143 0.000 2.584 310 Y HA -0.044 4.505 4.550 -0.002 0.000 0.317 310 Y C 1.445 177.350 175.900 0.009 0.000 1.208 310 Y CA 0.692 58.840 58.100 0.080 0.000 1.299 310 Y CB -0.825 37.665 38.460 0.051 0.000 1.047 310 Y HN -0.041 nan 8.280 nan 0.000 0.506 311 D N -1.652 118.790 120.400 0.071 0.000 2.369 311 D HA 0.028 4.667 4.640 -0.002 0.000 0.211 311 D C -0.755 175.028 176.300 -0.862 0.000 1.077 311 D CA 0.496 54.267 54.000 -0.381 0.000 0.842 311 D CB 0.158 40.650 40.800 -0.514 0.000 0.947 311 D HN 0.226 nan 8.370 nan 0.000 0.509 312 Y N -0.153 120.147 120.300 -0.001 0.000 2.705 312 Y HA 0.186 4.735 4.550 -0.002 0.000 0.355 312 Y C 1.104 177.002 175.900 -0.004 0.000 1.039 312 Y CA -1.021 57.047 58.100 -0.052 0.000 1.233 312 Y CB 0.181 38.554 38.460 -0.146 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.152 120.226 119.070 0.007 0.000 2.330 313 H HA -0.305 4.249 4.556 -0.002 0.000 0.290 313 H C 1.333 176.751 175.328 0.148 0.000 1.111 313 H CA 2.546 58.626 56.048 0.054 0.000 1.226 313 H CB -0.018 29.748 29.762 0.006 0.000 1.355 313 H HN 0.607 nan 8.280 nan 0.000 0.485 314 Y N -0.341 119.849 120.300 -0.182 0.000 2.193 314 Y HA -0.142 4.407 4.550 -0.002 0.000 0.285 314 Y C 2.727 178.444 175.900 -0.306 0.000 1.166 314 Y CA 1.588 59.526 58.100 -0.270 0.000 1.181 314 Y CB -0.807 37.552 38.460 -0.169 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.147 117.692 119.914 -0.126 0.000 3.319 315 V HA 0.313 4.432 4.120 -0.002 0.000 0.317 315 V C 0.568 176.631 176.094 -0.051 0.000 1.411 315 V CA 0.669 62.839 62.300 -0.216 0.000 1.112 315 V CB -0.203 31.281 31.823 -0.565 0.000 1.031 315 V HN 0.320 nan 8.190 nan 0.000 0.448 316 S N -1.546 114.116 115.700 -0.063 0.000 2.901 316 S HA 0.348 4.817 4.470 -0.002 0.000 0.248 316 S C 0.777 175.345 174.600 -0.054 0.000 1.021 316 S CA -0.272 57.868 58.200 -0.099 0.000 1.090 316 S CB 0.461 63.507 63.200 -0.258 0.000 1.039 316 S HN 0.523 nan 8.310 nan 0.000 0.514 317 Q N 0.507 120.250 119.800 -0.095 0.000 2.331 317 Q HA 0.210 4.549 4.340 -0.002 0.000 0.203 317 Q C 1.468 177.397 176.000 -0.119 0.000 0.944 317 Q CA 1.034 56.774 55.803 -0.105 0.000 0.892 317 Q CB 0.170 28.770 28.738 -0.231 0.000 0.983 317 Q HN 0.761 nan 8.270 nan 0.000 0.482 318 G N 0.189 108.904 108.800 -0.142 0.000 3.198 318 G HA2 0.163 4.122 3.960 -0.002 0.000 0.203 318 G HA3 0.163 4.122 3.960 -0.002 0.000 0.203 318 G C -0.126 174.714 174.900 -0.100 0.000 1.950 318 G CA -0.314 44.701 45.100 -0.143 0.000 0.798 318 G HN -0.014 nan 8.290 nan 0.000 0.720 319 E N -0.786 119.332 120.200 -0.136 0.000 2.249 319 E HA 0.531 4.879 4.350 -0.002 0.000 0.263 319 E C 0.460 176.899 176.600 -0.268 0.000 0.950 319 E CA -0.587 55.721 56.400 -0.153 0.000 0.827 319 E CB 2.660 32.272 29.700 -0.147 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.390 120.009 120.570 -0.285 0.000 3.971 320 I HA 0.023 4.191 4.170 -0.002 0.000 0.303 320 I C 0.965 176.816 176.117 -0.442 0.000 1.233 320 I CA 0.514 61.565 61.300 -0.414 0.000 1.346 320 I CB 1.010 38.883 38.000 -0.211 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.121 115.530 114.554 -0.241 0.000 2.863 321 T HA 0.663 5.011 4.350 -0.002 0.000 0.285 321 T C -1.123 173.491 174.700 -0.145 0.000 1.009 321 T CA -0.480 61.516 62.100 -0.174 0.000 0.989 321 T CB 1.543 70.362 68.868 -0.082 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.765 127.603 119.914 -0.128 0.000 2.483 322 V HA 0.343 4.461 4.120 -0.002 0.000 0.297 322 V C -1.629 174.422 176.094 -0.071 0.000 1.027 322 V CA -1.668 60.574 62.300 -0.096 0.000 0.855 322 V CB 1.785 33.548 31.823 -0.100 0.000 0.995 322 V HN 0.718 nan 8.190 nan 0.000 0.424 323 P HA -0.156 nan 4.420 nan 0.000 0.215 323 P C 1.648 178.925 177.300 -0.039 0.000 1.153 323 P CA 1.712 64.788 63.100 -0.040 0.000 0.853 323 P CB 0.165 31.845 31.700 -0.033 0.000 0.788 324 S N -1.103 114.572 115.700 -0.041 0.000 2.555 324 S HA 0.009 4.477 4.470 -0.002 0.000 0.230 324 S C 0.810 175.381 174.600 -0.047 0.000 0.978 324 S CA -0.056 58.122 58.200 -0.037 0.000 0.934 324 S CB -1.235 61.947 63.200 -0.030 0.000 0.766 324 S HN 0.102 nan 8.310 nan 0.000 0.533 325 I N 0.607 121.139 120.570 -0.064 0.000 2.474 325 I HA 0.514 4.682 4.170 -0.002 0.000 0.294 325 I C -1.098 174.978 176.117 -0.069 0.000 1.005 325 I CA -0.907 60.340 61.300 -0.088 0.000 1.113 325 I CB 1.679 39.591 38.000 -0.145 0.000 1.289 325 I HN -0.127 nan 8.210 nan 0.000 0.436 326 D N 4.621 124.985 120.400 -0.060 0.000 2.479 326 D HA 0.167 4.806 4.640 -0.002 0.000 0.247 326 D C 0.731 177.010 176.300 -0.035 0.000 1.119 326 D CA -0.230 53.747 54.000 -0.038 0.000 0.922 326 D CB 0.641 41.427 40.800 -0.024 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.878 122.260 120.400 -0.029 0.000 2.203 327 D HA -0.219 4.419 4.640 -0.002 0.000 0.199 327 D C 1.518 177.820 176.300 0.002 0.000 0.997 327 D CA 1.097 55.092 54.000 -0.008 0.000 0.863 327 D CB 0.366 41.187 40.800 0.034 0.000 0.928 327 D HN 0.635 nan 8.370 nan 0.000 0.458 328 Q N 0.497 120.298 119.800 0.001 0.000 2.079 328 Q HA -0.123 4.215 4.340 -0.002 0.000 0.200 328 Q C 2.039 178.040 176.000 0.002 0.000 0.974 328 Q CA 0.791 56.596 55.803 0.003 0.000 0.840 328 Q CB -0.147 28.592 28.738 0.003 0.000 0.898 328 Q HN 0.435 nan 8.270 nan 0.000 0.430 329 E N 0.532 120.731 120.200 -0.003 0.000 2.072 329 E HA -0.147 4.202 4.350 -0.002 0.000 0.190 329 E C 1.992 178.594 176.600 0.002 0.000 0.982 329 E CA 0.603 57.003 56.400 -0.001 0.000 0.803 329 E CB 0.311 30.008 29.700 -0.005 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.743 120.939 120.200 -0.006 0.000 2.077 330 E HA -0.211 4.137 4.350 -0.002 0.000 0.193 330 E C 2.310 178.915 176.600 0.009 0.000 0.989 330 E CA 0.535 56.932 56.400 -0.005 0.000 0.800 330 E CB -0.402 29.280 29.700 -0.031 0.000 0.746 330 E HN 0.292 nan 8.360 nan 0.000 0.452 331 L N 0.664 121.894 121.223 0.013 0.000 2.051 331 L HA -0.248 4.091 4.340 -0.002 0.000 0.214 331 L C 2.525 179.424 176.870 0.049 0.000 1.076 331 L CA 1.366 56.225 54.840 0.032 0.000 0.758 331 L CB -0.150 41.925 42.059 0.026 0.000 0.890 331 L HN 0.146 nan 8.230 nan 0.000 0.433 332 M N -1.464 118.156 119.600 0.033 0.000 2.156 332 M HA -0.097 4.381 4.480 -0.002 0.000 0.264 332 M C 2.517 178.840 176.300 0.038 0.000 1.067 332 M CA 1.540 56.863 55.300 0.037 0.000 1.131 332 M CB -1.317 31.299 32.600 0.025 0.000 1.368 332 M HN 0.370 nan 8.290 nan 0.000 0.416 333 A N 0.961 123.799 122.820 0.029 0.000 1.892 333 A HA -0.184 4.135 4.320 -0.002 0.000 0.218 333 A C 2.381 179.985 177.584 0.033 0.000 1.188 333 A CA 2.654 54.709 52.037 0.030 0.000 0.631 333 A CB -1.339 17.677 19.000 0.027 0.000 0.822 333 A HN 0.497 nan 8.150 nan 0.000 0.447 334 T N -0.254 114.317 114.554 0.029 0.000 2.622 334 T HA -0.180 4.168 4.350 -0.002 0.000 0.266 334 T C 1.797 176.511 174.700 0.024 0.000 1.047 334 T CA 1.459 63.570 62.100 0.018 0.000 1.159 334 T CB -0.498 68.367 68.868 -0.005 0.000 0.863 334 T HN 0.575 nan 8.240 nan 0.000 0.422 335 D N 0.999 121.437 120.400 0.062 0.000 2.137 335 D HA -0.128 4.511 4.640 -0.002 0.000 0.189 335 D C 2.340 178.673 176.300 0.056 0.000 0.998 335 D CA 1.876 55.934 54.000 0.096 0.000 0.839 335 D CB -0.270 40.611 40.800 0.135 0.000 0.962 335 D HN 0.352 nan 8.370 nan 0.000 0.446 336 S N 0.747 116.476 115.700 0.050 0.000 2.387 336 S HA -0.171 4.298 4.470 -0.002 0.000 0.230 336 S C 2.235 176.858 174.600 0.037 0.000 1.035 336 S CA 1.432 59.656 58.200 0.041 0.000 1.014 336 S CB -0.474 62.747 63.200 0.035 0.000 0.836 336 S HN 0.479 nan 8.310 nan 0.000 0.466 337 A N 1.738 124.578 122.820 0.034 0.000 1.902 337 A HA -0.035 4.283 4.320 -0.002 0.000 0.217 337 A C 2.116 179.728 177.584 0.047 0.000 1.181 337 A CA 1.235 53.293 52.037 0.035 0.000 0.623 337 A CB -0.775 18.244 19.000 0.032 0.000 0.818 337 A HN 0.483 nan 8.150 nan 0.000 0.443 338 I N -0.015 120.566 120.570 0.018 0.000 2.127 338 I HA -0.302 3.866 4.170 -0.002 0.000 0.241 338 I C 2.092 178.299 176.117 0.150 0.000 1.075 338 I CA 1.764 63.073 61.300 0.015 0.000 1.334 338 I CB -0.582 37.334 38.000 -0.139 0.000 1.040 338 I HN 0.359 nan 8.210 nan 0.000 0.405 339 D N 1.023 121.472 120.400 0.082 0.000 2.103 339 D HA -0.208 4.430 4.640 -0.002 0.000 0.190 339 D C 2.225 178.561 176.300 0.061 0.000 0.997 339 D CA 1.651 55.698 54.000 0.077 0.000 0.833 339 D CB -0.320 40.511 40.800 0.053 0.000 0.961 339 D HN 0.364 nan 8.370 nan 0.000 0.447 340 I N 0.759 121.356 120.570 0.045 0.000 2.335 340 I HA -0.247 3.922 4.170 -0.002 0.000 0.251 340 I C 2.224 178.343 176.117 0.004 0.000 1.129 340 I CA 0.616 61.928 61.300 0.020 0.000 1.402 340 I CB -0.163 37.849 38.000 0.020 0.000 1.069 340 I HN -0.041 nan 8.210 nan 0.000 0.424 341 L N 0.551 121.797 121.223 0.039 0.000 2.633 341 L HA -0.015 4.323 4.340 -0.002 0.000 0.235 341 L C 1.638 178.422 176.870 -0.143 0.000 1.163 341 L CA 0.880 55.714 54.840 -0.011 0.000 0.859 341 L CB -0.603 41.496 42.059 0.067 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.238 107.523 108.800 -0.064 0.000 2.143 342 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.249 342 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.249 342 G C 0.222 175.038 174.900 -0.141 0.000 0.981 342 G CA -0.475 44.551 45.100 -0.124 0.000 0.665 342 G HN 0.160 nan 8.290 nan 0.000 0.528 343 F N 1.540 121.417 119.950 -0.121 0.000 2.506 343 F HA 0.520 5.046 4.527 -0.002 0.000 0.351 343 F C 1.370 177.135 175.800 -0.059 0.000 1.136 343 F CA 0.752 58.677 58.000 -0.124 0.000 1.298 343 F CB 1.169 40.075 39.000 -0.156 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.750 117.557 115.700 0.179 0.000 2.576 344 S HA 0.359 4.828 4.470 -0.002 0.000 0.276 344 S C 1.091 175.766 174.600 0.125 0.000 1.339 344 S CA -0.149 58.122 58.200 0.119 0.000 1.039 344 S CB 0.938 64.202 63.200 0.107 0.000 0.902 344 S HN 0.778 nan 8.310 nan 0.000 0.516 345 A N 3.604 126.476 122.820 0.087 0.000 1.908 345 A HA -0.120 4.198 4.320 -0.002 0.000 0.218 345 A C 1.767 179.399 177.584 0.081 0.000 1.181 345 A CA 2.273 54.358 52.037 0.080 0.000 0.627 345 A CB -1.238 17.800 19.000 0.064 0.000 0.818 345 A HN 0.961 nan 8.150 nan 0.000 0.445 346 D N -0.565 119.879 120.400 0.074 0.000 2.103 346 D HA -0.195 4.443 4.640 -0.002 0.000 0.190 346 D C 1.973 178.321 176.300 0.080 0.000 0.997 346 D CA 1.939 55.977 54.000 0.064 0.000 0.833 346 D CB -0.147 40.688 40.800 0.059 0.000 0.961 346 D HN 0.642 nan 8.370 nan 0.000 0.447 347 E N -0.093 120.192 120.200 0.141 0.000 2.077 347 E HA -0.218 4.131 4.350 -0.002 0.000 0.193 347 E C 1.980 178.642 176.600 0.103 0.000 0.989 347 E CA 0.909 57.448 56.400 0.231 0.000 0.800 347 E CB -0.157 29.825 29.700 0.470 0.000 0.746 347 E HN 0.293 nan 8.360 nan 0.000 0.452 348 K N 0.681 121.112 120.400 0.051 0.000 2.442 348 K HA -0.092 4.227 4.320 -0.002 0.000 0.198 348 K C 1.429 178.042 176.600 0.022 0.000 1.044 348 K CA 1.313 57.564 56.287 -0.061 0.000 0.948 348 K CB 0.144 32.629 32.500 -0.026 0.000 0.762 348 K HN -0.015 nan 8.250 nan 0.000 0.472 349 T N 0.119 114.716 114.554 0.071 0.000 3.010 349 T HA 0.135 4.484 4.350 -0.002 0.000 0.252 349 T C 1.835 176.569 174.700 0.057 0.000 1.047 349 T CA 0.657 62.822 62.100 0.109 0.000 1.140 349 T CB 0.048 68.960 68.868 0.074 0.000 0.885 349 T HN 0.368 nan 8.240 nan 0.000 0.464 350 A N 2.004 124.827 122.820 0.005 0.000 1.883 350 A HA -0.059 4.260 4.320 -0.002 0.000 0.217 350 A C 2.237 179.780 177.584 -0.069 0.000 1.186 350 A CA 1.216 53.221 52.037 -0.053 0.000 0.624 350 A CB -0.871 18.071 19.000 -0.096 0.000 0.822 350 A HN 0.448 nan 8.150 nan 0.000 0.444 351 I N -1.742 118.774 120.570 -0.089 0.000 2.118 351 I HA -0.326 3.843 4.170 -0.002 0.000 0.241 351 I C 2.532 178.590 176.117 -0.098 0.000 1.070 351 I CA 2.033 63.228 61.300 -0.174 0.000 1.327 351 I CB -0.909 36.880 38.000 -0.350 0.000 1.034 351 I HN 0.416 nan 8.210 nan 0.000 0.405 352 Y N 1.145 121.432 120.300 -0.022 0.000 2.084 352 Y HA -0.205 4.344 4.550 -0.002 0.000 0.279 352 Y C 2.684 178.582 175.900 -0.004 0.000 1.119 352 Y CA 1.476 59.573 58.100 -0.004 0.000 1.101 352 Y CB -0.810 37.646 38.460 -0.006 0.000 0.989 352 Y HN -0.010 nan 8.280 nan 0.000 0.484 353 K N -0.545 119.948 120.400 0.156 0.000 2.107 353 K HA -0.243 4.075 4.320 -0.002 0.000 0.211 353 K C 1.854 178.484 176.600 0.049 0.000 1.049 353 K CA 1.652 57.986 56.287 0.077 0.000 0.927 353 K CB -0.499 32.003 32.500 0.003 0.000 0.714 353 K HN 0.128 nan 8.250 nan 0.000 0.452 354 L N 0.627 121.851 121.223 0.001 0.000 2.156 354 L HA -0.107 4.231 4.340 -0.002 0.000 0.208 354 L C 2.013 178.898 176.870 0.025 0.000 1.095 354 L CA 1.798 56.614 54.840 -0.039 0.000 0.770 354 L CB -0.777 41.214 42.059 -0.114 0.000 0.914 354 L HN 0.136 nan 8.230 nan 0.000 0.439 355 T N -1.401 113.198 114.554 0.074 0.000 3.035 355 T HA -0.015 4.334 4.350 -0.002 0.000 0.268 355 T C 1.631 176.469 174.700 0.231 0.000 1.109 355 T CA 0.961 63.155 62.100 0.158 0.000 1.119 355 T CB -0.198 68.732 68.868 0.103 0.000 0.900 355 T HN 0.498 nan 8.240 nan 0.000 0.503 356 G N 0.642 109.539 108.800 0.161 0.000 2.545 356 G HA2 0.260 4.219 3.960 -0.002 0.000 0.212 356 G HA3 0.260 4.219 3.960 -0.002 0.000 0.212 356 G C 1.782 176.788 174.900 0.177 0.000 1.144 356 G CA 0.561 45.736 45.100 0.125 0.000 0.813 356 G HN 0.481 nan 8.290 nan 0.000 0.531 357 A N 0.782 123.721 122.820 0.197 0.000 1.892 357 A HA -0.049 4.270 4.320 -0.002 0.000 0.218 357 A C 2.567 180.222 177.584 0.118 0.000 1.188 357 A CA 2.034 54.201 52.037 0.217 0.000 0.631 357 A CB -0.853 18.166 19.000 0.033 0.000 0.822 357 A HN 0.267 nan 8.150 nan 0.000 0.447 358 V N 0.191 120.108 119.914 0.004 0.000 2.324 358 V HA -0.368 3.751 4.120 -0.002 0.000 0.250 358 V C 2.683 178.903 176.094 0.210 0.000 1.060 358 V CA 2.304 64.633 62.300 0.047 0.000 1.042 358 V CB -0.755 31.192 31.823 0.205 0.000 0.650 358 V HN 0.575 nan 8.190 nan 0.000 0.450 359 M N -0.946 118.735 119.600 0.134 0.000 2.086 359 M HA -0.197 4.282 4.480 -0.002 0.000 0.261 359 M C 2.204 178.558 176.300 0.090 0.000 1.067 359 M CA 2.103 57.407 55.300 0.007 0.000 1.116 359 M CB -0.874 31.564 32.600 -0.270 0.000 1.348 359 M HN 0.436 nan 8.290 nan 0.000 0.407 360 H N -1.024 118.197 119.070 0.253 0.000 2.387 360 H HA -0.183 4.372 4.556 -0.002 0.000 0.299 360 H C 1.885 177.352 175.328 0.232 0.000 1.099 360 H CA 1.736 57.942 56.048 0.262 0.000 1.315 360 H CB -0.064 29.866 29.762 0.281 0.000 1.380 360 H HN 0.249 nan 8.280 nan 0.000 0.513 361 Y N 0.213 120.613 120.300 0.167 0.000 2.114 361 Y HA -0.171 4.378 4.550 -0.002 0.000 0.282 361 Y C 2.765 178.578 175.900 -0.145 0.000 1.165 361 Y CA 1.403 59.569 58.100 0.111 0.000 1.148 361 Y CB -0.952 37.657 38.460 0.249 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.893 107.590 108.800 -0.529 0.000 2.586 362 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.215 362 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.215 362 G C 1.383 175.995 174.900 -0.480 0.000 1.128 362 G CA 0.911 45.132 45.100 -1.466 0.000 0.774 362 G HN 0.312 nan 8.290 nan 0.000 0.543 363 N N -0.655 117.927 118.700 -0.196 0.000 2.282 363 N HA 0.129 4.867 4.740 -0.002 0.000 0.185 363 N C 0.259 175.719 175.510 -0.083 0.000 1.099 363 N CA -0.330 52.655 53.050 -0.109 0.000 0.878 363 N CB 0.228 38.683 38.487 -0.054 0.000 0.993 363 N HN 0.136 nan 8.380 nan 0.000 0.481 364 L N 1.395 122.589 121.223 -0.049 0.000 2.513 364 L HA 0.037 4.376 4.340 -0.002 0.000 0.272 364 L C 0.270 177.092 176.870 -0.079 0.000 1.187 364 L CA 0.713 55.495 54.840 -0.097 0.000 0.895 364 L CB 0.179 42.221 42.059 -0.029 0.000 1.147 364 L HN -0.157 nan 8.230 nan 0.000 0.483 365 K N 2.983 123.202 120.400 -0.301 0.000 2.328 365 K HA 0.742 5.060 4.320 -0.002 0.000 0.246 365 K C -1.351 174.892 176.600 -0.595 0.000 0.955 365 K CA -0.283 55.912 56.287 -0.153 0.000 0.817 365 K CB 1.359 33.787 32.500 -0.120 0.000 1.208 365 K HN 0.210 nan 8.250 nan 0.000 0.432 366 F N 0.770 120.787 119.950 0.112 0.000 2.629 366 F HA 0.543 5.069 4.527 -0.002 0.000 0.316 366 F C -0.449 175.327 175.800 -0.040 0.000 1.081 366 F CA -0.797 57.174 58.000 -0.048 0.000 0.954 366 F CB 1.952 40.819 39.000 -0.220 0.000 1.337 366 F HN 0.332 nan 8.300 nan 0.000 0.474 367 K N 0.668 121.158 120.400 0.150 0.000 2.508 367 K HA 0.434 4.753 4.320 -0.002 0.000 0.260 367 K C -1.528 175.102 176.600 0.049 0.000 0.949 367 K CA -1.056 55.275 56.287 0.074 0.000 0.834 367 K CB 2.151 34.677 32.500 0.043 0.000 1.365 367 K HN 0.629 nan 8.250 nan 0.000 0.437 368 Q N 2.157 121.974 119.800 0.028 0.000 2.289 368 Q HA 0.021 4.360 4.340 -0.002 0.000 0.273 368 Q C -0.567 175.445 176.000 0.021 0.000 1.029 368 Q CA 0.385 56.196 55.803 0.013 0.000 0.896 368 Q CB 1.050 29.796 28.738 0.012 0.000 1.182 368 Q HN 0.398 nan 8.270 nan 0.000 0.385 369 K N 2.711 123.124 120.400 0.023 0.000 2.295 369 K HA 0.004 4.323 4.320 -0.002 0.000 0.270 369 K C -0.301 176.315 176.600 0.026 0.000 1.011 369 K CA -0.059 56.248 56.287 0.034 0.000 0.953 369 K CB 0.626 33.157 32.500 0.052 0.000 0.956 369 K HN 0.512 nan 8.250 nan 0.000 0.477 370 Q N 2.686 122.501 119.800 0.025 0.000 2.300 370 Q HA -0.025 4.314 4.340 -0.002 0.000 0.280 370 Q C -0.155 175.856 176.000 0.018 0.000 1.033 370 Q CA 0.688 56.502 55.803 0.019 0.000 0.903 370 Q CB 0.499 29.247 28.738 0.016 0.000 1.195 370 Q HN 0.631 nan 8.270 nan 0.000 0.386 371 R N 0.088 120.597 120.500 0.015 0.000 3.977 371 R HA -0.199 4.140 4.340 -0.002 0.000 0.428 371 R C -0.329 175.981 176.300 0.016 0.000 1.079 371 R CA 1.135 57.244 56.100 0.014 0.000 1.269 371 R CB -1.107 29.200 30.300 0.012 0.000 1.856 371 R HN 0.602 nan 8.270 nan 0.000 0.551 372 E N 0.212 120.423 120.200 0.019 0.000 2.336 372 E HA 0.237 4.586 4.350 -0.002 0.000 0.267 372 E C -0.451 176.157 176.600 0.015 0.000 0.906 372 E CA -0.543 55.870 56.400 0.021 0.000 0.781 372 E CB 1.722 31.442 29.700 0.034 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.920 121.126 120.200 0.011 0.000 2.451 373 E HA 0.015 4.364 4.350 -0.002 0.000 0.194 373 E C -0.240 176.350 176.600 -0.017 0.000 1.027 373 E CA -0.064 56.336 56.400 -0.001 0.000 0.914 373 E CB 0.650 30.350 29.700 -0.000 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.160 119.955 119.800 -0.008 0.000 2.221 374 Q HA 0.482 4.821 4.340 -0.002 0.000 0.242 374 Q C -0.953 175.008 176.000 -0.065 0.000 0.940 374 Q CA -0.402 55.378 55.803 -0.039 0.000 0.896 374 Q CB 1.342 30.090 28.738 0.016 0.000 1.226 374 Q HN 0.131 nan 8.270 nan 0.000 0.463 375 A N 2.601 125.328 122.820 -0.155 0.000 2.301 375 A HA 0.512 4.830 4.320 -0.002 0.000 0.298 375 A C -0.995 176.518 177.584 -0.118 0.000 1.185 375 A CA -0.338 51.602 52.037 -0.161 0.000 0.830 375 A CB 0.326 19.133 19.000 -0.321 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.752 122.970 120.200 0.030 0.000 2.272 376 E HA 0.618 4.966 4.350 -0.002 0.000 0.269 376 E C -3.034 173.687 176.600 0.202 0.000 0.877 376 E CA -2.302 54.156 56.400 0.096 0.000 0.755 376 E CB 1.983 31.734 29.700 0.084 0.000 1.192 376 E HN 0.304 nan 8.360 nan 0.000 0.422 377 P HA -0.007 nan 4.420 nan 0.000 0.264 377 P C -0.418 176.834 177.300 -0.079 0.000 1.183 377 P CA 0.159 63.274 63.100 0.026 0.000 0.763 377 P CB 0.501 32.195 31.700 -0.011 0.000 0.807 378 D N 1.863 122.131 120.400 -0.221 0.000 2.460 378 D HA 0.302 4.941 4.640 -0.002 0.000 0.229 378 D C 0.447 176.660 176.300 -0.145 0.000 1.170 378 D CA 0.091 54.008 54.000 -0.138 0.000 0.827 378 D CB -0.515 40.215 40.800 -0.118 0.000 0.973 378 D HN 0.572 nan 8.370 nan 0.000 0.496 379 G N -0.702 108.011 108.800 -0.146 0.000 2.316 379 G HA2 0.095 4.054 3.960 -0.002 0.000 0.468 379 G HA3 0.095 4.054 3.960 -0.002 0.000 0.468 379 G C -0.301 174.524 174.900 -0.125 0.000 1.523 379 G CA -0.314 44.718 45.100 -0.115 0.000 0.972 379 G HN 0.103 nan 8.290 nan 0.000 0.667 380 T N -1.734 112.770 114.554 -0.084 0.000 3.444 380 T HA 0.605 4.954 4.350 -0.002 0.000 0.265 380 T C 0.489 175.151 174.700 -0.064 0.000 1.537 380 T CA 0.048 62.105 62.100 -0.071 0.000 1.530 380 T CB 1.348 70.189 68.868 -0.045 0.000 0.958 380 T HN 0.534 nan 8.240 nan 0.000 0.684 381 E N 0.629 120.783 120.200 -0.075 0.000 2.207 381 E HA 0.066 4.414 4.350 -0.002 0.000 0.197 381 E C 1.557 178.113 176.600 -0.073 0.000 0.914 381 E CA 0.463 56.824 56.400 -0.065 0.000 0.914 381 E CB 0.529 30.192 29.700 -0.062 0.000 0.893 381 E HN 0.393 nan 8.360 nan 0.000 0.479 382 V N 1.241 121.107 119.914 -0.081 0.000 2.599 382 V HA -0.022 4.097 4.120 -0.002 0.000 0.245 382 V C 2.347 178.392 176.094 -0.082 0.000 1.046 382 V CA 1.356 63.606 62.300 -0.082 0.000 1.065 382 V CB -0.222 31.581 31.823 -0.033 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N 0.160 122.934 122.820 -0.076 0.000 1.933 383 A HA -0.258 4.061 4.320 -0.002 0.000 0.218 383 A C 1.955 179.533 177.584 -0.010 0.000 1.175 383 A CA 2.053 54.062 52.037 -0.047 0.000 0.628 383 A CB -0.587 18.376 19.000 -0.062 0.000 0.814 383 A HN 0.501 nan 8.150 nan 0.000 0.444 384 D N -0.075 120.308 120.400 -0.029 0.000 2.104 384 D HA -0.139 4.500 4.640 -0.002 0.000 0.194 384 D C 2.006 178.317 176.300 0.019 0.000 0.994 384 D CA 1.598 55.593 54.000 -0.008 0.000 0.830 384 D CB -0.202 40.575 40.800 -0.039 0.000 0.959 384 D HN 0.574 nan 8.370 nan 0.000 0.452 385 K N 0.590 120.958 120.400 -0.054 0.000 2.031 385 K HA 0.047 4.366 4.320 -0.002 0.000 0.205 385 K C 2.207 178.816 176.600 0.016 0.000 1.049 385 K CA 1.070 57.312 56.287 -0.075 0.000 0.939 385 K CB -0.097 32.177 32.500 -0.376 0.000 0.717 385 K HN 0.002 nan 8.250 nan 0.000 0.438 386 A N 1.884 124.712 122.820 0.013 0.000 1.902 386 A HA -0.126 4.192 4.320 -0.002 0.000 0.217 386 A C 2.451 180.161 177.584 0.210 0.000 1.181 386 A CA 1.882 54.048 52.037 0.214 0.000 0.623 386 A CB -0.826 18.395 19.000 0.369 0.000 0.818 386 A HN 0.330 nan 8.150 nan 0.000 0.443 387 A N -1.289 121.628 122.820 0.161 0.000 1.883 387 A HA -0.140 4.179 4.320 -0.002 0.000 0.217 387 A C 2.186 179.863 177.584 0.154 0.000 1.186 387 A CA 1.801 53.929 52.037 0.152 0.000 0.624 387 A CB -0.861 18.207 19.000 0.115 0.000 0.822 387 A HN 0.844 nan 8.150 nan 0.000 0.444 388 Y N -0.243 120.079 120.300 0.036 0.000 2.200 388 Y HA -0.087 4.462 4.550 -0.002 0.000 0.290 388 Y C 1.827 177.749 175.900 0.036 0.000 1.137 388 Y CA 1.449 59.566 58.100 0.028 0.000 1.163 388 Y CB -0.325 38.141 38.460 0.011 0.000 0.988 388 Y HN 0.162 nan 8.280 nan 0.000 0.518 389 L N 0.220 121.390 121.223 -0.088 0.000 2.191 389 L HA -0.167 4.171 4.340 -0.002 0.000 0.212 389 L C 2.032 178.820 176.870 -0.136 0.000 1.103 389 L CA 1.706 56.449 54.840 -0.162 0.000 0.769 389 L CB -0.771 41.328 42.059 0.068 0.000 0.908 389 L HN 0.405 nan 8.230 nan 0.000 0.438 390 M N -2.021 117.545 119.600 -0.058 0.000 2.441 390 M HA 0.252 4.731 4.480 -0.002 0.000 0.244 390 M C 1.050 177.310 176.300 -0.065 0.000 1.122 390 M CA 0.586 55.846 55.300 -0.065 0.000 1.041 390 M CB 0.330 32.919 32.600 -0.017 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.971 110.727 108.800 -0.073 0.000 2.248 391 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.263 391 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.263 391 G C -0.656 174.257 174.900 0.021 0.000 1.082 391 G CA -0.276 44.797 45.100 -0.044 0.000 0.863 391 G HN 0.265 nan 8.290 nan 0.000 0.495 392 L N -0.357 120.900 121.223 0.057 0.000 2.260 392 L HA 0.747 5.086 4.340 -0.002 0.000 0.265 392 L C 0.185 177.106 176.870 0.084 0.000 1.015 392 L CA -1.583 53.309 54.840 0.086 0.000 0.826 392 L CB 1.554 43.690 42.059 0.129 0.000 1.373 392 L HN 0.236 nan 8.230 nan 0.000 0.450 393 N N -0.718 118.026 118.700 0.074 0.000 2.443 393 N HA 0.177 4.915 4.740 -0.002 0.000 0.269 393 N C 0.383 175.928 175.510 0.058 0.000 0.985 393 N CA 0.024 53.111 53.050 0.062 0.000 0.921 393 N CB 1.707 40.221 38.487 0.045 0.000 1.195 393 N HN 0.515 nan 8.380 nan 0.000 0.492 394 S N 2.623 118.355 115.700 0.054 0.000 2.378 394 S HA -0.261 4.208 4.470 -0.002 0.000 0.229 394 S C 1.742 176.363 174.600 0.035 0.000 1.052 394 S CA 2.219 60.443 58.200 0.041 0.000 1.084 394 S CB -0.151 63.063 63.200 0.024 0.000 0.950 394 S HN 0.781 nan 8.310 nan 0.000 0.440 395 A N 1.027 123.867 122.820 0.033 0.000 1.832 395 A HA -0.126 4.193 4.320 -0.002 0.000 0.214 395 A C 1.959 179.566 177.584 0.039 0.000 1.200 395 A CA 1.590 53.648 52.037 0.034 0.000 0.610 395 A CB -0.875 18.142 19.000 0.028 0.000 0.842 395 A HN 0.571 nan 8.150 nan 0.000 0.444 396 E N -0.795 119.425 120.200 0.033 0.000 2.147 396 E HA -0.259 4.089 4.350 -0.002 0.000 0.199 396 E C 1.937 178.550 176.600 0.023 0.000 1.005 396 E CA 1.489 57.904 56.400 0.026 0.000 0.810 396 E CB -0.326 29.386 29.700 0.021 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.512 121.754 121.223 0.031 0.000 2.005 397 L HA -0.168 4.171 4.340 -0.002 0.000 0.207 397 L C 2.064 178.950 176.870 0.026 0.000 1.072 397 L CA 1.495 56.351 54.840 0.027 0.000 0.744 397 L CB -0.345 41.745 42.059 0.053 0.000 0.895 397 L HN 0.059 nan 8.230 nan 0.000 0.433 398 L N -0.222 121.031 121.223 0.050 0.000 2.275 398 L HA -0.122 4.217 4.340 -0.002 0.000 0.215 398 L C 2.459 179.376 176.870 0.078 0.000 1.119 398 L CA 1.383 56.276 54.840 0.087 0.000 0.790 398 L CB -1.093 41.022 42.059 0.093 0.000 0.919 398 L HN 0.320 nan 8.230 nan 0.000 0.443 399 K N -0.619 119.828 120.400 0.077 0.000 1.980 399 K HA -0.053 4.266 4.320 -0.002 0.000 0.208 399 K C 2.102 178.744 176.600 0.070 0.000 1.043 399 K CA 1.186 57.549 56.287 0.128 0.000 0.938 399 K CB -0.225 32.342 32.500 0.112 0.000 0.724 399 K HN 0.239 nan 8.250 nan 0.000 0.438 400 A N 1.677 124.510 122.820 0.021 0.000 1.940 400 A HA -0.234 4.085 4.320 -0.002 0.000 0.221 400 A C 2.112 179.649 177.584 -0.079 0.000 1.190 400 A CA 1.656 53.674 52.037 -0.031 0.000 0.647 400 A CB -0.727 18.235 19.000 -0.064 0.000 0.821 400 A HN 0.268 nan 8.150 nan 0.000 0.457 401 L N -1.007 120.162 121.223 -0.090 0.000 2.017 401 L HA -0.150 4.188 4.340 -0.002 0.000 0.208 401 L C 2.668 179.376 176.870 -0.270 0.000 1.073 401 L CA 1.923 56.667 54.840 -0.159 0.000 0.745 401 L CB -0.871 41.121 42.059 -0.111 0.000 0.894 401 L HN 0.543 nan 8.230 nan 0.000 0.432 402 C N -2.214 116.912 119.300 -0.291 0.000 2.505 402 C HA -0.025 4.434 4.460 -0.002 0.000 0.279 402 C C 0.860 175.392 174.990 -0.764 0.000 1.316 402 C CA -0.134 58.550 59.018 -0.555 0.000 1.720 402 C CB -0.618 26.781 27.740 -0.568 0.000 2.050 402 C HN 0.405 nan 8.230 nan 0.000 0.493 403 Y N 0.873 121.127 120.300 -0.077 0.000 2.553 403 Y HA 0.307 4.856 4.550 -0.001 0.000 0.369 403 Y C -2.338 173.520 175.900 -0.070 0.000 0.964 403 Y CA -3.246 54.814 58.100 -0.067 0.000 1.156 403 Y CB -0.577 37.855 38.460 -0.047 0.000 1.218 403 Y HN 0.193 nan 8.280 nan 0.000 0.630 404 P HA -0.090 nan 4.420 nan 0.000 0.256 404 P C -0.120 177.176 177.300 -0.006 0.000 1.173 404 P CA 0.338 63.415 63.100 -0.038 0.000 0.768 404 P CB 0.369 32.022 31.700 -0.079 0.000 0.758 405 R N 3.648 124.143 120.500 -0.008 0.000 2.230 405 R HA 0.402 4.741 4.340 -0.002 0.000 0.337 405 R C -0.647 175.640 176.300 -0.021 0.000 1.063 405 R CA -0.685 55.411 56.100 -0.007 0.000 0.935 405 R CB 0.088 30.387 30.300 -0.002 0.000 1.121 405 R HN 0.102 nan 8.270 nan 0.000 0.486 406 V N 2.869 122.770 119.914 -0.022 0.000 3.596 406 V HA 0.493 4.612 4.120 -0.002 0.000 0.288 406 V C 0.809 176.892 176.094 -0.018 0.000 1.021 406 V CA 0.106 62.391 62.300 -0.025 0.000 1.020 406 V CB 1.233 33.035 31.823 -0.035 0.000 1.243 406 V HN 0.842 nan 8.190 nan 0.000 0.433 407 K N 0.274 120.664 120.400 -0.016 0.000 3.207 407 K HA 0.587 4.906 4.320 -0.002 0.000 0.166 407 K C -1.014 175.580 176.600 -0.011 0.000 1.079 407 K CA -0.237 56.044 56.287 -0.010 0.000 0.818 407 K CB 0.881 nan 32.500 nan 0.000 0.967 407 K HN 0.378 nan 8.250 nan 0.000 0.594 408 V N 1.780 121.685 119.914 -0.015 0.000 2.389 408 V HA 0.700 4.818 4.120 -0.002 0.000 0.264 408 V C 1.391 177.478 176.094 -0.011 0.000 1.049 408 V CA 1.217 63.508 62.300 -0.015 0.000 0.932 408 V CB 0.099 31.908 31.823 -0.023 0.000 1.011 408 V HN 1.331 nan 8.190 nan 0.000 0.475 409 G N 5.436 114.232 108.800 -0.007 0.000 2.846 409 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.225 409 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.225 409 G C 0.278 175.176 174.900 -0.003 0.000 1.285 409 G CA 0.143 45.241 45.100 -0.005 0.000 1.055 409 G HN 0.819 nan 8.290 nan 0.000 0.579 410 N N 2.012 120.710 118.700 -0.003 0.000 2.170 410 N HA 0.196 4.934 4.740 -0.002 0.000 0.222 410 N C 0.581 176.089 175.510 -0.003 0.000 1.218 410 N CA 1.018 54.066 53.050 -0.002 0.000 0.889 410 N CB 0.757 39.243 38.487 -0.001 0.000 1.083 410 N HN 0.966 nan 8.380 nan 0.000 0.520 411 E N -0.370 119.827 120.200 -0.005 0.000 2.573 411 E HA 0.578 4.927 4.350 -0.002 0.000 0.218 411 E C -1.053 175.543 176.600 -0.007 0.000 0.777 411 E CA -1.076 55.320 56.400 -0.006 0.000 0.970 411 E CB 0.630 30.326 29.700 -0.007 0.000 1.666 411 E HN -0.093 nan 8.360 nan 0.000 0.384 412 F N 0.582 120.526 119.950 -0.009 0.000 2.610 412 F HA 0.516 5.041 4.527 -0.002 0.000 0.355 412 F C -0.626 175.167 175.800 -0.013 0.000 1.140 412 F CA -1.183 56.810 58.000 -0.010 0.000 1.037 412 F CB 1.082 40.076 39.000 -0.010 0.000 1.287 412 F HN 0.266 nan 8.300 nan 0.000 0.457 413 V N 2.599 122.505 119.914 -0.014 0.000 2.385 413 V HA 0.288 4.406 4.120 -0.002 0.000 0.269 413 V C 0.670 176.756 176.094 -0.013 0.000 1.043 413 V CA -0.559 61.732 62.300 -0.015 0.000 0.906 413 V CB 0.994 32.807 31.823 -0.018 0.000 0.995 413 V HN 0.850 nan 8.190 nan 0.000 0.467 414 T N 6.742 121.291 114.554 -0.008 0.000 2.769 414 T HA 0.170 4.519 4.350 -0.002 0.000 0.293 414 T C 0.180 174.893 174.700 0.021 0.000 0.931 414 T CA 0.065 62.169 62.100 0.007 0.000 1.139 414 T CB -0.115 68.755 68.868 0.003 0.000 0.881 414 T HN 0.511 nan 8.240 nan 0.000 0.532 415 K N 2.418 122.833 120.400 0.025 0.000 2.182 415 K HA 0.520 4.839 4.320 -0.002 0.000 0.262 415 K C 0.408 177.038 176.600 0.049 0.000 0.957 415 K CA -0.678 55.618 56.287 0.016 0.000 0.842 415 K CB 2.150 34.631 32.500 -0.032 0.000 1.099 415 K HN 0.672 nan 8.250 nan 0.000 0.438 416 G N 1.906 110.736 108.800 0.050 0.000 2.367 416 G HA2 0.299 4.258 3.960 -0.002 0.000 0.314 416 G HA3 0.299 4.258 3.960 -0.002 0.000 0.314 416 G C -0.578 174.270 174.900 -0.087 0.000 1.130 416 G CA -0.316 44.799 45.100 0.026 0.000 0.864 416 G HN 0.452 nan 8.290 nan 0.000 0.486 417 Q N -0.088 119.596 119.800 -0.193 0.000 2.359 417 Q HA 0.483 4.822 4.340 -0.002 0.000 0.275 417 Q C -0.247 175.632 176.000 -0.202 0.000 1.082 417 Q CA -0.674 55.013 55.803 -0.194 0.000 0.849 417 Q CB 2.226 30.822 28.738 -0.237 0.000 1.377 417 Q HN 0.534 nan 8.270 nan 0.000 0.452 418 T N -0.168 114.289 114.554 -0.162 0.000 2.881 418 T HA 0.140 4.489 4.350 -0.002 0.000 0.278 418 T C 1.555 176.130 174.700 -0.208 0.000 0.982 418 T CA -0.628 61.387 62.100 -0.142 0.000 0.989 418 T CB 1.058 69.877 68.868 -0.081 0.000 1.058 418 T HN 0.345 nan 8.240 nan 0.000 0.529 419 V N 1.212 121.018 119.914 -0.180 0.000 2.255 419 V HA -0.180 3.939 4.120 -0.002 0.000 0.247 419 V C 2.684 178.616 176.094 -0.269 0.000 1.051 419 V CA 2.047 64.194 62.300 -0.255 0.000 1.018 419 V CB -1.027 30.714 31.823 -0.136 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.553 115.083 115.700 -0.107 0.000 2.419 420 S HA -0.270 4.199 4.470 -0.002 0.000 0.235 420 S C 1.958 176.534 174.600 -0.040 0.000 1.019 420 S CA 1.572 59.762 58.200 -0.018 0.000 0.982 420 S CB -0.346 62.867 63.200 0.023 0.000 0.789 420 S HN 0.705 nan 8.310 nan 0.000 0.490 421 Q N 0.152 119.890 119.800 -0.103 0.000 2.187 421 Q HA -0.001 4.338 4.340 -0.002 0.000 0.199 421 Q C 2.214 178.121 176.000 -0.156 0.000 0.957 421 Q CA 1.026 56.767 55.803 -0.102 0.000 0.857 421 Q CB -0.236 28.433 28.738 -0.114 0.000 0.929 421 Q HN 0.438 nan 8.270 nan 0.000 0.453 422 V N 0.479 120.216 119.914 -0.295 0.000 2.255 422 V HA -0.222 3.897 4.120 -0.002 0.000 0.243 422 V C 1.995 177.965 176.094 -0.206 0.000 1.038 422 V CA 1.697 63.740 62.300 -0.429 0.000 1.008 422 V CB -0.828 30.431 31.823 -0.940 0.000 0.645 422 V HN 0.349 nan 8.190 nan 0.000 0.449 423 H N 0.960 119.960 119.070 -0.116 0.000 2.394 423 H HA -0.172 4.383 4.556 -0.002 0.000 0.297 423 H C 2.268 177.647 175.328 0.085 0.000 1.113 423 H CA 2.009 58.093 56.048 0.060 0.000 1.277 423 H CB -0.645 29.182 29.762 0.109 0.000 1.370 423 H HN 0.578 nan 8.280 nan 0.000 0.506 424 N N -0.200 118.589 118.700 0.149 0.000 2.216 424 N HA -0.114 4.624 4.740 -0.002 0.000 0.183 424 N C 2.125 177.681 175.510 0.075 0.000 1.017 424 N CA 1.113 54.223 53.050 0.101 0.000 0.861 424 N CB 0.063 38.584 38.487 0.056 0.000 0.986 424 N HN 0.306 nan 8.380 nan 0.000 0.428 425 S N 0.621 116.338 115.700 0.027 0.000 2.383 425 S HA -0.063 4.406 4.470 -0.002 0.000 0.227 425 S C 2.117 176.772 174.600 0.092 0.000 1.026 425 S CA 0.643 58.856 58.200 0.022 0.000 0.981 425 S CB -0.706 62.469 63.200 -0.042 0.000 0.818 425 S HN 0.016 nan 8.310 nan 0.000 0.472 426 V N 2.734 122.723 119.914 0.125 0.000 2.233 426 V HA -0.126 3.993 4.120 -0.002 0.000 0.247 426 V C 2.995 179.310 176.094 0.368 0.000 1.050 426 V CA 2.081 64.527 62.300 0.243 0.000 1.010 426 V CB -1.786 30.198 31.823 0.269 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.601 108.396 108.800 0.328 0.000 2.469 427 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.220 427 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.220 427 G C 1.716 176.706 174.900 0.151 0.000 1.136 427 G CA 1.221 46.466 45.100 0.242 0.000 0.759 427 G HN 0.661 nan 8.290 nan 0.000 0.562 428 A N 0.298 123.201 122.820 0.138 0.000 1.930 428 A HA 0.164 4.483 4.320 -0.002 0.000 0.217 428 A C 2.422 180.111 177.584 0.176 0.000 1.175 428 A CA 1.257 53.362 52.037 0.113 0.000 0.627 428 A CB -0.279 18.768 19.000 0.079 0.000 0.815 428 A HN 0.366 nan 8.150 nan 0.000 0.443 429 L N -0.778 120.591 121.223 0.243 0.000 2.044 429 L HA -0.090 4.248 4.340 -0.002 0.000 0.205 429 L C 3.065 180.133 176.870 0.329 0.000 1.075 429 L CA 0.935 55.971 54.840 0.328 0.000 0.747 429 L CB -0.696 41.609 42.059 0.409 0.000 0.903 429 L HN 0.370 nan 8.230 nan 0.000 0.435 430 A N 0.684 123.704 122.820 0.335 0.000 1.896 430 A HA -0.323 3.996 4.320 -0.002 0.000 0.220 430 A C 2.337 180.030 177.584 0.182 0.000 1.206 430 A CA 2.492 54.667 52.037 0.229 0.000 0.647 430 A CB -0.555 18.645 19.000 0.332 0.000 0.828 430 A HN 0.342 nan 8.150 nan 0.000 0.455 431 K N -0.466 120.018 120.400 0.140 0.000 2.025 431 K HA 0.044 4.363 4.320 -0.002 0.000 0.207 431 K C 2.366 179.078 176.600 0.186 0.000 1.049 431 K CA 1.222 57.577 56.287 0.114 0.000 0.933 431 K CB -0.440 32.094 32.500 0.057 0.000 0.714 431 K HN 0.456 nan 8.250 nan 0.000 0.438 432 A N 0.961 123.910 122.820 0.215 0.000 1.873 432 A HA -0.196 4.123 4.320 -0.002 0.000 0.218 432 A C 2.407 180.127 177.584 0.227 0.000 1.193 432 A CA 2.063 54.251 52.037 0.252 0.000 0.629 432 A CB -1.057 18.165 19.000 0.371 0.000 0.826 432 A HN 0.080 nan 8.150 nan 0.000 0.447 433 V N -1.569 118.534 119.914 0.314 0.000 2.287 433 V HA -0.316 3.802 4.120 -0.002 0.000 0.248 433 V C 2.337 178.472 176.094 0.069 0.000 1.053 433 V CA 2.286 64.703 62.300 0.196 0.000 1.027 433 V CB -1.171 30.745 31.823 0.154 0.000 0.646 433 V HN 0.667 nan 8.190 nan 0.000 0.447 434 Y N 0.997 121.304 120.300 0.012 0.000 2.081 434 Y HA -0.317 4.231 4.550 -0.002 0.000 0.280 434 Y C 2.686 178.569 175.900 -0.028 0.000 1.163 434 Y CA 2.444 60.539 58.100 -0.008 0.000 1.135 434 Y CB -0.333 38.138 38.460 0.018 0.000 0.970 434 Y HN 0.408 nan 8.280 nan 0.000 0.498 435 E N 0.178 120.521 120.200 0.239 0.000 2.019 435 E HA -0.375 3.974 4.350 -0.002 0.000 0.208 435 E C 2.193 178.826 176.600 0.053 0.000 1.030 435 E CA 2.141 58.623 56.400 0.136 0.000 0.856 435 E CB -0.282 29.495 29.700 0.129 0.000 0.781 435 E HN 0.301 nan 8.360 nan 0.000 0.471 436 K N 0.135 120.517 120.400 -0.030 0.000 2.090 436 K HA -0.277 4.041 4.320 -0.002 0.000 0.218 436 K C 2.194 178.734 176.600 -0.100 0.000 1.055 436 K CA 2.552 58.761 56.287 -0.130 0.000 0.941 436 K CB -0.443 31.827 32.500 -0.383 0.000 0.722 436 K HN 0.343 nan 8.250 nan 0.000 0.458 437 M N -0.713 118.792 119.600 -0.158 0.000 2.073 437 M HA -0.228 4.251 4.480 -0.002 0.000 0.258 437 M C 1.962 178.185 176.300 -0.128 0.000 1.070 437 M CA 1.894 57.100 55.300 -0.157 0.000 1.103 437 M CB -0.276 32.139 32.600 -0.308 0.000 1.321 437 M HN 0.229 nan 8.290 nan 0.000 0.405 438 F N 0.705 120.414 119.950 -0.401 0.000 2.126 438 F HA -0.262 4.264 4.527 -0.002 0.000 0.299 438 F C 1.476 177.120 175.800 -0.260 0.000 1.096 438 F CA 1.457 59.199 58.000 -0.430 0.000 1.255 438 F CB -0.267 38.506 39.000 -0.378 0.000 0.997 438 F HN 0.142 nan 8.300 nan 0.000 0.479 439 L N -0.771 120.450 121.223 -0.002 0.000 2.017 439 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 439 L C 2.076 178.877 176.870 -0.116 0.000 1.073 439 L CA 1.759 56.557 54.840 -0.071 0.000 0.745 439 L CB -1.945 40.131 42.059 0.028 0.000 0.894 439 L HN 0.504 nan 8.230 nan 0.000 0.432 440 W N 0.187 121.343 121.300 -0.241 0.000 2.333 440 W HA -0.265 4.394 4.660 -0.002 0.000 0.316 440 W C 2.674 179.066 176.519 -0.210 0.000 1.215 440 W CA 1.782 59.003 57.345 -0.206 0.000 1.278 440 W CB -0.414 28.929 29.460 -0.194 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.231 119.153 119.600 -0.360 0.000 2.089 441 M HA -0.301 4.177 4.480 -0.002 0.000 0.257 441 M C 1.876 177.899 176.300 -0.461 0.000 1.071 441 M CA 2.341 57.326 55.300 -0.526 0.000 1.096 441 M CB -0.869 31.353 32.600 -0.629 0.000 1.330 441 M HN -0.068 nan 8.290 nan 0.000 0.403 442 V N 0.473 120.069 119.914 -0.530 0.000 2.255 442 V HA -0.312 3.807 4.120 -0.002 0.000 0.247 442 V C 2.126 178.011 176.094 -0.348 0.000 1.051 442 V CA 2.058 64.089 62.300 -0.448 0.000 1.018 442 V CB -0.557 30.984 31.823 -0.470 0.000 0.641 442 V HN 0.428 nan 8.190 nan 0.000 0.445 443 I N -0.692 119.686 120.570 -0.321 0.000 2.118 443 I HA -0.263 3.906 4.170 -0.002 0.000 0.241 443 I C 2.787 178.684 176.117 -0.367 0.000 1.070 443 I CA 1.583 62.718 61.300 -0.274 0.000 1.327 443 I CB -0.432 37.450 38.000 -0.196 0.000 1.034 443 I HN 0.187 nan 8.210 nan 0.000 0.405 444 R N 0.386 120.556 120.500 -0.550 0.000 2.105 444 R HA -0.133 4.206 4.340 -0.002 0.000 0.239 444 R C 2.200 178.114 176.300 -0.644 0.000 1.135 444 R CA 1.473 57.149 56.100 -0.707 0.000 0.967 444 R CB -0.713 28.904 30.300 -1.138 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.221 121.489 120.570 -0.504 0.000 2.113 445 I HA -0.317 3.851 4.170 -0.002 0.000 0.238 445 I C 1.955 177.895 176.117 -0.295 0.000 1.070 445 I CA 1.228 62.309 61.300 -0.366 0.000 1.332 445 I CB -0.548 37.306 38.000 -0.244 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.097 119.642 118.700 -0.257 0.000 2.133 446 N HA -0.276 4.463 4.740 -0.002 0.000 0.193 446 N C 1.839 177.219 175.510 -0.218 0.000 1.012 446 N CA 1.855 54.781 53.050 -0.208 0.000 0.871 446 N CB -0.461 37.911 38.487 -0.192 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.085 119.728 119.800 -0.263 0.000 2.124 447 Q HA -0.168 4.170 4.340 -0.002 0.000 0.202 447 Q C 1.663 177.523 176.000 -0.233 0.000 0.977 447 Q CA 1.328 56.983 55.803 -0.248 0.000 0.850 447 Q CB -0.293 28.306 28.738 -0.230 0.000 0.901 447 Q HN 0.200 nan 8.270 nan 0.000 0.429 448 Q N 0.356 119.998 119.800 -0.263 0.000 2.137 448 Q HA 0.037 4.376 4.340 -0.002 0.000 0.198 448 Q C 1.386 177.286 176.000 -0.167 0.000 0.960 448 Q CA 0.705 56.376 55.803 -0.220 0.000 0.847 448 Q CB 0.111 28.701 28.738 -0.246 0.000 0.915 448 Q HN 0.297 nan 8.270 nan 0.000 0.448 449 L N 1.244 122.367 121.223 -0.166 0.000 2.786 449 L HA 0.025 4.364 4.340 -0.002 0.000 0.250 449 L C -0.346 176.448 176.870 -0.127 0.000 1.151 449 L CA 0.836 55.598 54.840 -0.129 0.000 0.910 449 L CB -0.802 41.185 42.059 -0.120 0.000 1.082 449 L HN 0.052 nan 8.230 nan 0.000 0.433 450 D N -0.636 119.668 120.400 -0.160 0.000 2.303 450 D HA 0.396 5.035 4.640 -0.002 0.000 0.236 450 D C 0.167 176.389 176.300 -0.131 0.000 1.068 450 D CA -0.038 53.866 54.000 -0.159 0.000 0.830 450 D CB 1.191 41.893 40.800 -0.163 0.000 1.109 450 D HN 0.156 nan 8.370 nan 0.000 0.496 451 T N -0.049 114.429 114.554 -0.127 0.000 2.940 451 T HA 0.445 4.793 4.350 -0.002 0.000 0.288 451 T C 1.028 175.670 174.700 -0.097 0.000 1.045 451 T CA -0.760 61.281 62.100 -0.099 0.000 1.018 451 T CB 1.964 70.782 68.868 -0.083 0.000 1.151 451 T HN 0.154 nan 8.240 nan 0.000 0.529 452 K N -0.095 120.260 120.400 -0.075 0.000 2.211 452 K HA 0.066 4.385 4.320 -0.002 0.000 0.201 452 K C 0.750 177.314 176.600 -0.061 0.000 1.052 452 K CA 0.300 56.547 56.287 -0.066 0.000 0.973 452 K CB 0.025 32.493 32.500 -0.052 0.000 0.766 452 K HN 0.656 nan 8.250 nan 0.000 0.466 453 Q N 2.180 121.947 119.800 -0.054 0.000 2.352 453 Q HA -0.024 4.315 4.340 -0.002 0.000 0.326 453 Q C -2.332 173.637 176.000 -0.052 0.000 1.135 453 Q CA -1.109 54.668 55.803 -0.043 0.000 1.000 453 Q CB -0.638 28.081 28.738 -0.031 0.000 1.237 453 Q HN 0.018 nan 8.270 nan 0.000 0.409 454 P HA 0.091 nan 4.420 nan 0.000 0.272 454 P C -0.959 176.311 177.300 -0.050 0.000 1.223 454 P CA -0.018 63.053 63.100 -0.048 0.000 0.784 454 P CB 0.621 32.296 31.700 -0.042 0.000 0.923 455 R N 1.290 121.757 120.500 -0.055 0.000 2.561 455 R HA 0.377 4.716 4.340 -0.002 0.000 0.297 455 R C 0.653 176.904 176.300 -0.083 0.000 0.969 455 R CA -0.611 55.470 56.100 -0.031 0.000 0.879 455 R CB 1.941 32.245 30.300 0.008 0.000 1.178 455 R HN 0.399 nan 8.270 nan 0.000 0.445 456 Q N 1.030 120.683 119.800 -0.246 0.000 2.431 456 Q HA 0.181 4.520 4.340 -0.002 0.000 0.244 456 Q C -0.565 175.100 176.000 -0.557 0.000 0.880 456 Q CA 0.735 56.210 55.803 -0.546 0.000 0.954 456 Q CB 0.888 29.045 28.738 -0.969 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.009 119.401 120.300 0.183 0.000 2.670 457 Y HA 0.507 5.056 4.550 -0.002 0.000 0.334 457 Y C -0.662 175.369 175.900 0.219 0.000 1.185 457 Y CA -1.998 56.188 58.100 0.144 0.000 1.053 457 Y CB 0.774 39.248 38.460 0.023 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.829 119.230 119.950 0.182 0.000 2.664 458 F HA 0.911 5.436 4.527 -0.002 0.000 0.317 458 F C -1.901 173.912 175.800 0.023 0.000 1.108 458 F CA -1.850 56.112 58.000 -0.064 0.000 0.957 458 F CB 1.643 40.247 39.000 -0.661 0.000 1.365 458 F HN 0.354 nan 8.300 nan 0.000 0.475 459 I N 1.818 122.480 120.570 0.154 0.000 2.439 459 I HA 0.495 4.664 4.170 -0.002 0.000 0.283 459 I C 0.009 176.181 176.117 0.091 0.000 1.023 459 I CA -0.735 60.576 61.300 0.018 0.000 1.100 459 I CB 1.683 39.636 38.000 -0.078 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.787 114.691 108.800 0.174 0.000 2.353 460 G HA2 0.520 4.478 3.960 -0.002 0.000 0.284 460 G HA3 0.520 4.478 3.960 -0.002 0.000 0.284 460 G C -0.661 174.316 174.900 0.129 0.000 1.172 460 G CA -0.226 44.921 45.100 0.079 0.000 0.854 460 G HN 0.328 nan 8.290 nan 0.000 0.485 461 V N 3.937 123.860 119.914 0.015 0.000 2.326 461 V HA 0.319 4.438 4.120 -0.002 0.000 0.281 461 V C -0.173 176.093 176.094 0.288 0.000 1.015 461 V CA -0.687 61.706 62.300 0.155 0.000 0.823 461 V CB 1.035 32.936 31.823 0.130 0.000 1.009 461 V HN 0.704 nan 8.190 nan 0.000 0.436 462 L N 4.512 125.977 121.223 0.404 0.000 2.282 462 L HA 0.765 5.103 4.340 -0.002 0.000 0.288 462 L C -0.631 176.393 176.870 0.258 0.000 1.033 462 L CA 0.342 55.452 54.840 0.449 0.000 0.807 462 L CB 1.458 43.721 42.059 0.340 0.000 1.209 462 L HN 0.644 nan 8.230 nan 0.000 0.423 463 D N 6.367 126.914 120.400 0.246 0.000 2.549 463 D HA 0.566 5.204 4.640 -0.002 0.000 0.251 463 D C -0.997 175.397 176.300 0.158 0.000 1.153 463 D CA -0.099 53.999 54.000 0.163 0.000 0.861 463 D CB 1.060 41.935 40.800 0.125 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.935 121.576 120.570 0.118 0.000 3.181 464 I HA 0.516 4.684 4.170 -0.002 0.000 0.311 464 I C -0.223 175.943 176.117 0.082 0.000 1.287 464 I CA -1.330 60.035 61.300 0.108 0.000 0.958 464 I CB 1.904 39.959 38.000 0.091 0.000 1.294 464 I HN 0.428 nan 8.210 nan 0.000 0.467 465 A N 1.028 123.897 122.820 0.081 0.000 2.304 465 A HA 0.783 5.101 4.320 -0.002 0.000 0.271 465 A C 0.084 177.717 177.584 0.082 0.000 1.091 465 A CA -0.005 52.077 52.037 0.074 0.000 0.812 465 A CB 0.579 19.623 19.000 0.074 0.000 1.056 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 G N -1.008 107.839 108.800 0.078 0.000 2.441 466 G HA2 0.487 4.446 3.960 -0.002 0.000 0.334 466 G HA3 0.487 4.446 3.960 -0.002 0.000 0.334 466 G C -0.531 174.435 174.900 0.110 0.000 1.161 466 G CA -0.715 44.450 45.100 0.109 0.000 0.935 466 G HN 0.623 nan 8.290 nan 0.000 0.488 467 F N 0.968 120.899 119.950 -0.032 0.000 2.473 467 F HA 0.048 4.574 4.527 -0.002 0.000 0.405 467 F C 0.792 176.482 175.800 -0.182 0.000 0.988 467 F CA 0.731 58.659 58.000 -0.120 0.000 1.096 467 F CB 0.188 39.101 39.000 -0.145 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.308 126.333 120.200 -0.292 0.000 2.222 468 E HA 0.471 4.819 4.350 -0.002 0.000 0.267 468 E C -0.891 175.186 176.600 -0.872 0.000 0.884 468 E CA -0.943 55.155 56.400 -0.503 0.000 0.764 468 E CB 2.093 31.476 29.700 -0.529 0.000 1.169 468 E HN 0.467 nan 8.360 nan 0.000 0.413 469 I N 3.386 123.489 120.570 -0.778 0.000 2.378 469 I HA 0.382 4.550 4.170 -0.002 0.000 0.291 469 I C -0.923 174.774 176.117 -0.699 0.000 0.992 469 I CA -0.530 60.387 61.300 -0.639 0.000 1.154 469 I CB 0.688 38.558 38.000 -0.216 0.000 1.315 469 I HN 0.343 nan 8.210 nan 0.000 0.448 470 F N 2.754 122.644 119.950 -0.101 0.000 2.593 470 F HA 0.329 4.854 4.527 -0.002 0.000 0.320 470 F C 1.343 177.124 175.800 -0.031 0.000 1.060 470 F CA -1.016 56.959 58.000 -0.040 0.000 0.940 470 F CB 0.831 39.837 39.000 0.010 0.000 1.268 470 F HN 0.476 nan 8.300 nan 0.000 0.475 471 D N 0.245 120.789 120.400 0.241 0.000 2.218 471 D HA -0.194 4.444 4.640 -0.002 0.000 0.204 471 D C 0.143 176.564 176.300 0.201 0.000 0.976 471 D CA 1.410 55.502 54.000 0.152 0.000 0.853 471 D CB -0.014 40.867 40.800 0.134 0.000 0.939 471 D HN 0.220 nan 8.370 nan 0.000 0.481 472 F N 2.108 122.124 119.950 0.109 0.000 2.382 472 F HA 0.309 4.835 4.527 -0.002 0.000 0.361 472 F C -0.731 175.156 175.800 0.145 0.000 1.109 472 F CA -1.070 56.987 58.000 0.095 0.000 1.031 472 F CB 0.722 39.761 39.000 0.065 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.755 123.235 118.700 -0.367 0.000 2.446 473 N HA 0.228 4.967 4.740 -0.002 0.000 0.265 473 N C -0.814 174.596 175.510 -0.167 0.000 0.975 473 N CA -0.251 52.679 53.050 -0.201 0.000 0.928 473 N CB 2.043 40.307 38.487 -0.372 0.000 1.160 473 N HN 0.470 nan 8.380 nan 0.000 0.495 474 S N 0.686 116.406 115.700 0.033 0.000 2.776 474 S HA 0.352 4.821 4.470 -0.002 0.000 0.306 474 S C 1.076 175.796 174.600 0.199 0.000 1.114 474 S CA -0.593 57.778 58.200 0.284 0.000 0.973 474 S CB 0.533 63.929 63.200 0.327 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.304 121.932 119.950 -0.538 0.000 2.085 475 F HA -0.213 4.313 4.527 -0.002 0.000 0.299 475 F C 1.857 177.366 175.800 -0.486 0.000 1.096 475 F CA 2.777 60.033 58.000 -1.239 0.000 1.227 475 F CB -0.788 37.315 39.000 -1.494 0.000 0.983 475 F HN 0.677 nan 8.300 nan 0.000 0.482 476 E N 0.022 120.006 120.200 -0.360 0.000 2.160 476 E HA -0.253 4.096 4.350 -0.002 0.000 0.195 476 E C 2.012 178.476 176.600 -0.227 0.000 0.991 476 E CA 1.633 57.811 56.400 -0.370 0.000 0.810 476 E CB -0.513 29.109 29.700 -0.130 0.000 0.742 476 E HN 0.514 nan 8.360 nan 0.000 0.466 477 Q N 0.047 119.819 119.800 -0.046 0.000 2.079 477 Q HA -0.069 4.269 4.340 -0.002 0.000 0.200 477 Q C 2.076 178.122 176.000 0.077 0.000 0.974 477 Q CA 0.831 56.667 55.803 0.056 0.000 0.840 477 Q CB -0.298 28.531 28.738 0.151 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.002 121.284 121.223 0.099 0.000 1.989 478 L HA -0.229 4.110 4.340 -0.002 0.000 0.211 478 L C 1.925 178.850 176.870 0.091 0.000 1.071 478 L CA 1.891 56.728 54.840 -0.004 0.000 0.749 478 L CB -0.873 41.046 42.059 -0.232 0.000 0.890 478 L HN 0.342 nan 8.230 nan 0.000 0.431 479 C N -0.564 118.677 119.300 -0.099 0.000 2.398 479 C HA -0.171 4.288 4.460 -0.002 0.000 0.276 479 C C 2.678 177.772 174.990 0.172 0.000 1.222 479 C CA 0.984 59.978 59.018 -0.039 0.000 1.746 479 C CB -1.217 25.970 27.740 -0.922 0.000 2.039 479 C HN 0.642 nan 8.230 nan 0.000 0.470 480 I N 1.423 122.000 120.570 0.011 0.000 2.233 480 I HA -0.149 4.019 4.170 -0.002 0.000 0.243 480 I C 2.289 178.471 176.117 0.109 0.000 1.093 480 I CA 1.544 62.885 61.300 0.068 0.000 1.380 480 I CB -0.460 37.542 38.000 0.004 0.000 1.067 480 I HN 0.399 nan 8.210 nan 0.000 0.413 481 N N -0.150 118.558 118.700 0.013 0.000 2.104 481 N HA -0.268 4.471 4.740 -0.002 0.000 0.190 481 N C 1.945 177.650 175.510 0.325 0.000 1.024 481 N CA 1.347 54.353 53.050 -0.074 0.000 0.853 481 N CB -0.331 37.869 38.487 -0.477 0.000 1.008 481 N HN 0.239 nan 8.380 nan 0.000 0.424 482 F N 2.505 122.602 119.950 0.245 0.000 2.161 482 F HA -0.153 4.373 4.527 -0.002 0.000 0.300 482 F C 2.255 178.217 175.800 0.271 0.000 1.089 482 F CA 1.244 59.430 58.000 0.310 0.000 1.282 482 F CB -0.833 38.376 39.000 0.349 0.000 1.010 482 F HN -0.081 nan 8.300 nan 0.000 0.485 483 T N 0.647 115.286 114.554 0.142 0.000 2.708 483 T HA -0.187 4.162 4.350 -0.002 0.000 0.266 483 T C 1.864 176.565 174.700 0.001 0.000 1.037 483 T CA 1.545 63.608 62.100 -0.062 0.000 1.146 483 T CB -0.392 68.522 68.868 0.078 0.000 0.865 483 T HN 0.292 nan 8.240 nan 0.000 0.435 484 N N 0.907 119.705 118.700 0.164 0.000 2.142 484 N HA -0.091 4.647 4.740 -0.002 0.000 0.186 484 N C 1.954 177.694 175.510 0.384 0.000 1.023 484 N CA 1.025 54.236 53.050 0.269 0.000 0.852 484 N CB -0.269 38.434 38.487 0.360 0.000 0.998 484 N HN 0.512 nan 8.380 nan 0.000 0.424 485 E N 1.029 121.513 120.200 0.473 0.000 2.333 485 E HA -0.097 4.252 4.350 -0.002 0.000 0.198 485 E C 1.707 178.497 176.600 0.317 0.000 1.007 485 E CA 0.940 57.686 56.400 0.577 0.000 0.845 485 E CB 0.253 30.318 29.700 0.608 0.000 0.766 485 E HN 0.233 nan 8.360 nan 0.000 0.507 486 K N -0.386 120.090 120.400 0.127 0.000 2.044 486 K HA -0.072 4.247 4.320 -0.002 0.000 0.204 486 K C 1.899 178.564 176.600 0.109 0.000 1.045 486 K CA 0.461 56.758 56.287 0.017 0.000 0.951 486 K CB -0.074 32.279 32.500 -0.244 0.000 0.738 486 K HN 0.116 nan 8.250 nan 0.000 0.443 487 L N 1.949 123.237 121.223 0.110 0.000 2.051 487 L HA -0.250 4.088 4.340 -0.002 0.000 0.214 487 L C 2.502 179.576 176.870 0.339 0.000 1.076 487 L CA 1.748 56.721 54.840 0.223 0.000 0.758 487 L CB -1.050 41.117 42.059 0.179 0.000 0.890 487 L HN 0.220 nan 8.230 nan 0.000 0.433 488 Q N -0.346 119.566 119.800 0.187 0.000 2.030 488 Q HA -0.260 4.079 4.340 -0.002 0.000 0.204 488 Q C 2.329 178.424 176.000 0.160 0.000 0.986 488 Q CA 2.069 57.888 55.803 0.026 0.000 0.843 488 Q CB -0.405 28.107 28.738 -0.378 0.000 0.904 488 Q HN 0.575 nan 8.270 nan 0.000 0.420 489 Q N -1.369 118.539 119.800 0.180 0.000 2.234 489 Q HA -0.180 4.159 4.340 -0.002 0.000 0.206 489 Q C 1.753 177.924 176.000 0.286 0.000 0.980 489 Q CA 1.359 57.285 55.803 0.205 0.000 0.869 489 Q CB -0.269 28.575 28.738 0.176 0.000 0.912 489 Q HN 0.477 nan 8.270 nan 0.000 0.436 490 F N 0.204 120.259 119.950 0.174 0.000 2.186 490 F HA -0.155 4.371 4.527 -0.002 0.000 0.299 490 F C 1.566 177.578 175.800 0.354 0.000 1.090 490 F CA 1.087 59.210 58.000 0.206 0.000 1.307 490 F CB -0.469 38.648 39.000 0.195 0.000 1.019 490 F HN 0.192 nan 8.300 nan 0.000 0.489 491 F N 1.323 121.311 119.950 0.063 0.000 2.074 491 F HA -0.091 4.435 4.527 -0.002 0.000 0.290 491 F C 2.128 177.914 175.800 -0.024 0.000 1.118 491 F CA 1.852 59.775 58.000 -0.129 0.000 1.199 491 F CB -1.069 37.694 39.000 -0.396 0.000 1.012 491 F HN -0.142 nan 8.300 nan 0.000 0.472 492 N N -0.354 118.408 118.700 0.104 0.000 2.242 492 N HA -0.296 4.443 4.740 -0.002 0.000 0.191 492 N C 1.641 177.250 175.510 0.165 0.000 1.005 492 N CA 1.850 54.949 53.050 0.080 0.000 0.877 492 N CB -0.666 37.951 38.487 0.218 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.257 117.839 119.070 0.043 0.000 2.329 493 H HA -0.005 4.549 4.556 -0.002 0.000 0.306 493 H C 2.109 177.493 175.328 0.094 0.000 1.062 493 H CA 1.539 57.629 56.048 0.069 0.000 1.364 493 H CB -0.224 29.560 29.762 0.036 0.000 1.409 493 H HN 0.332 nan 8.280 nan 0.000 0.519 494 H N -0.340 118.739 119.070 0.014 0.000 2.426 494 H HA -0.145 4.409 4.556 -0.002 0.000 0.298 494 H C 2.198 177.414 175.328 -0.186 0.000 1.107 494 H CA 2.053 58.034 56.048 -0.112 0.000 1.298 494 H CB -0.155 29.459 29.762 -0.248 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.174 118.253 119.600 -0.289 0.000 2.288 495 M HA -0.058 4.421 4.480 -0.002 0.000 0.266 495 M C 1.691 177.995 176.300 0.006 0.000 1.072 495 M CA 1.039 56.135 55.300 -0.340 0.000 1.132 495 M CB -0.085 32.165 32.600 -0.584 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.165 120.142 119.950 0.044 0.000 2.163 496 F HA -0.116 4.410 4.527 -0.002 0.000 0.297 496 F C 1.737 177.499 175.800 -0.063 0.000 1.094 496 F CA 1.142 59.264 58.000 0.203 0.000 1.290 496 F CB -0.375 38.576 39.000 -0.081 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.722 120.562 119.914 -0.123 0.000 2.261 497 V HA -0.294 3.825 4.120 -0.002 0.000 0.246 497 V C 2.417 178.310 176.094 -0.334 0.000 1.047 497 V CA 1.960 64.073 62.300 -0.311 0.000 1.015 497 V CB -0.860 30.852 31.823 -0.184 0.000 0.642 497 V HN 0.406 nan 8.190 nan 0.000 0.446 498 L N -0.270 120.745 121.223 -0.347 0.000 1.989 498 L HA -0.177 4.162 4.340 -0.002 0.000 0.211 498 L C 2.635 179.338 176.870 -0.277 0.000 1.071 498 L CA 1.970 56.596 54.840 -0.356 0.000 0.749 498 L CB -0.685 41.090 42.059 -0.474 0.000 0.890 498 L HN 0.274 nan 8.230 nan 0.000 0.431 499 E N -0.405 119.660 120.200 -0.225 0.000 2.048 499 E HA -0.352 3.996 4.350 -0.002 0.000 0.202 499 E C 2.078 178.498 176.600 -0.301 0.000 1.021 499 E CA 1.822 58.065 56.400 -0.262 0.000 0.825 499 E CB -0.508 29.162 29.700 -0.050 0.000 0.756 499 E HN 0.642 nan 8.360 nan 0.000 0.454 500 Q N 0.462 120.239 119.800 -0.039 0.000 2.376 500 Q HA -0.219 4.120 4.340 -0.002 0.000 0.211 500 Q C 1.808 177.735 176.000 -0.121 0.000 0.986 500 Q CA 1.592 57.365 55.803 -0.050 0.000 0.886 500 Q CB -0.030 28.394 28.738 -0.524 0.000 0.927 500 Q HN 0.298 nan 8.270 nan 0.000 0.457 501 E N -0.216 119.875 120.200 -0.181 0.000 2.076 501 E HA -0.182 4.167 4.350 -0.002 0.000 0.190 501 E C 1.700 178.241 176.600 -0.098 0.000 0.979 501 E CA 0.897 57.217 56.400 -0.135 0.000 0.807 501 E CB 0.168 29.776 29.700 -0.152 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N 0.026 120.120 120.200 -0.177 0.000 2.012 502 E HA -0.207 4.142 4.350 -0.002 0.000 0.197 502 E C 1.558 178.170 176.600 0.019 0.000 1.007 502 E CA 1.452 57.766 56.400 -0.144 0.000 0.816 502 E CB -0.333 29.201 29.700 -0.277 0.000 0.762 502 E HN 0.303 nan 8.360 nan 0.000 0.451 503 Y N 0.342 120.689 120.300 0.078 0.000 2.538 503 Y HA -0.134 4.415 4.550 -0.002 0.000 0.287 503 Y C 2.114 178.068 175.900 0.090 0.000 1.157 503 Y CA 1.310 59.486 58.100 0.126 0.000 1.338 503 Y CB -0.624 38.001 38.460 0.274 0.000 0.970 503 Y HN 0.087 nan 8.280 nan 0.000 0.564 504 K N 0.312 120.812 120.400 0.167 0.000 2.244 504 K HA 0.012 4.330 4.320 -0.002 0.000 0.200 504 K C 2.079 178.713 176.600 0.057 0.000 1.052 504 K CA 0.542 56.883 56.287 0.090 0.000 0.980 504 K CB 0.099 32.616 32.500 0.029 0.000 0.838 504 K HN 0.003 nan 8.250 nan 0.000 0.481 505 K N 0.308 120.731 120.400 0.039 0.000 2.001 505 K HA -0.124 4.195 4.320 -0.002 0.000 0.208 505 K C 1.757 178.381 176.600 0.040 0.000 1.048 505 K CA 1.674 57.974 56.287 0.023 0.000 0.932 505 K CB 0.067 32.568 32.500 0.002 0.000 0.715 505 K HN 0.013 nan 8.250 nan 0.000 0.437 506 E N -1.070 119.169 120.200 0.065 0.000 2.046 506 E HA -0.026 4.323 4.350 -0.002 0.000 0.190 506 E C 0.968 177.610 176.600 0.069 0.000 0.982 506 E CA 1.314 57.756 56.400 0.069 0.000 0.800 506 E CB 0.173 29.931 29.700 0.097 0.000 0.756 506 E HN 0.552 nan 8.360 nan 0.000 0.449 507 G N -0.414 108.443 108.800 0.096 0.000 2.148 507 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.157 507 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.157 507 G C 0.213 175.159 174.900 0.076 0.000 1.012 507 G CA 0.033 45.177 45.100 0.074 0.000 0.677 507 G HN 0.155 nan 8.290 nan 0.000 0.506 508 I N 0.258 120.900 120.570 0.118 0.000 2.945 508 I HA 0.340 4.509 4.170 -0.002 0.000 0.292 508 I C 0.785 176.959 176.117 0.095 0.000 1.093 508 I CA -0.150 61.192 61.300 0.070 0.000 1.336 508 I CB 0.964 38.977 38.000 0.022 0.000 1.435 508 I HN 0.051 nan 8.210 nan 0.000 0.593 509 E N 4.406 124.619 120.200 0.020 0.000 2.267 509 E HA 0.183 4.532 4.350 -0.002 0.000 0.241 509 E C -1.593 174.954 176.600 -0.088 0.000 0.950 509 E CA -0.316 56.076 56.400 -0.014 0.000 0.776 509 E CB 0.768 30.377 29.700 -0.152 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.425 124.984 121.300 0.432 0.000 2.619 510 W HA 0.306 4.965 4.660 -0.002 0.000 0.327 510 W C -0.853 176.178 176.519 0.854 0.000 1.027 510 W CA -0.646 58.794 57.345 3.492 0.000 1.233 510 W CB 1.477 31.144 29.460 0.344 0.000 1.370 510 W HN 0.344 nan 8.180 nan 0.000 0.453 511 E N 4.613 120.141 120.200 -7.788 0.000 2.179 511 E HA 0.498 4.846 4.350 -0.002 0.000 0.275 511 E C -1.062 174.449 176.600 -1.815 0.000 0.945 511 E CA -0.593 54.320 56.400 -2.478 0.000 0.792 511 E CB 1.959 31.063 29.700 -0.992 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.125 119.210 119.950 -1.025 0.000 2.688 512 F HA 0.511 5.037 4.527 -0.002 0.000 0.308 512 F C -1.330 174.292 175.800 -0.295 0.000 1.117 512 F CA -1.237 56.346 58.000 -0.696 0.000 0.976 512 F CB 0.486 39.151 39.000 -0.559 0.000 1.291 512 F HN 0.311 nan 8.300 nan 0.000 0.439 513 I N 2.470 122.900 120.570 -0.233 0.000 2.638 513 I HA 0.097 4.265 4.170 -0.002 0.000 0.286 513 I C 0.488 176.283 176.117 -0.537 0.000 1.088 513 I CA -0.069 61.063 61.300 -0.280 0.000 1.397 513 I CB 0.446 38.307 38.000 -0.233 0.000 1.414 513 I HN 0.704 nan 8.210 nan 0.000 0.566 514 D N 4.580 124.291 120.400 -1.148 0.000 2.571 514 D HA -0.143 4.496 4.640 -0.002 0.000 0.231 514 D C 0.550 176.341 176.300 -0.849 0.000 1.133 514 D CA 0.714 53.581 54.000 -1.888 0.000 0.862 514 D CB 0.540 40.588 40.800 -1.253 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.711 121.520 119.950 -0.236 0.000 2.710 515 F HA 0.155 4.681 4.527 -0.002 0.000 0.298 515 F C 2.383 178.167 175.800 -0.027 0.000 1.137 515 F CA 0.265 58.252 58.000 -0.022 0.000 1.444 515 F CB -0.214 38.827 39.000 0.069 0.000 1.111 515 F HN 0.495 nan 8.300 nan 0.000 0.580 516 G N 0.302 109.144 108.800 0.071 0.000 2.421 516 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.216 516 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.216 516 G C 1.729 176.669 174.900 0.067 0.000 1.171 516 G CA 0.850 46.013 45.100 0.104 0.000 0.775 516 G HN 0.326 nan 8.290 nan 0.000 0.543 517 M N 0.623 120.219 119.600 -0.008 0.000 2.201 517 M HA -0.222 4.257 4.480 -0.002 0.000 0.251 517 M C 1.803 178.125 176.300 0.036 0.000 1.090 517 M CA 2.216 57.509 55.300 -0.012 0.000 1.063 517 M CB -0.273 32.279 32.600 -0.079 0.000 1.360 517 M HN 0.146 nan 8.290 nan 0.000 0.401 518 D N -0.155 120.285 120.400 0.066 0.000 2.218 518 D HA -0.104 4.535 4.640 -0.002 0.000 0.204 518 D C 1.621 177.985 176.300 0.106 0.000 0.976 518 D CA 1.320 55.374 54.000 0.090 0.000 0.853 518 D CB 0.011 40.883 40.800 0.120 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.181 121.476 121.223 0.120 0.000 2.477 519 L HA 0.160 4.499 4.340 -0.002 0.000 0.220 519 L C 2.326 179.277 176.870 0.135 0.000 1.106 519 L CA 0.265 55.196 54.840 0.152 0.000 0.851 519 L CB -0.403 41.771 42.059 0.192 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.512 123.394 122.820 0.102 0.000 1.997 520 A HA -0.248 4.071 4.320 -0.002 0.000 0.221 520 A C 2.569 180.205 177.584 0.087 0.000 1.172 520 A CA 1.932 54.023 52.037 0.090 0.000 0.645 520 A CB -0.751 18.285 19.000 0.060 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.045 121.822 122.820 0.079 0.000 1.851 521 A HA -0.267 4.051 4.320 -0.002 0.000 0.216 521 A C 2.469 180.094 177.584 0.069 0.000 1.195 521 A CA 1.852 53.929 52.037 0.068 0.000 0.622 521 A CB -1.514 17.525 19.000 0.066 0.000 0.831 521 A HN 0.854 nan 8.150 nan 0.000 0.444 522 C N -0.616 118.736 119.300 0.087 0.000 2.432 522 C HA -0.077 4.381 4.460 -0.002 0.000 0.277 522 C C 2.611 177.661 174.990 0.099 0.000 1.249 522 C CA 1.071 60.131 59.018 0.070 0.000 1.725 522 C CB -1.553 26.219 27.740 0.054 0.000 2.028 522 C HN 0.581 nan 8.230 nan 0.000 0.477 523 I N 1.483 122.159 120.570 0.175 0.000 2.127 523 I HA -0.226 3.943 4.170 -0.002 0.000 0.241 523 I C 2.608 178.821 176.117 0.160 0.000 1.075 523 I CA 2.137 63.591 61.300 0.258 0.000 1.334 523 I CB -0.643 37.519 38.000 0.269 0.000 1.040 523 I HN 0.465 nan 8.210 nan 0.000 0.405 524 E N 0.691 120.952 120.200 0.102 0.000 2.097 524 E HA -0.298 4.050 4.350 -0.002 0.000 0.196 524 E C 2.229 178.833 176.600 0.008 0.000 1.000 524 E CA 1.399 57.837 56.400 0.063 0.000 0.804 524 E CB -0.713 29.019 29.700 0.053 0.000 0.740 524 E HN 0.413 nan 8.360 nan 0.000 0.454 525 L N 1.028 122.231 121.223 -0.034 0.000 2.127 525 L HA -0.132 4.207 4.340 -0.002 0.000 0.211 525 L C 2.196 178.922 176.870 -0.241 0.000 1.089 525 L CA 1.367 56.117 54.840 -0.150 0.000 0.757 525 L CB -0.104 41.868 42.059 -0.146 0.000 0.899 525 L HN 0.076 nan 8.230 nan 0.000 0.434 526 I N -0.874 119.564 120.570 -0.219 0.000 2.385 526 I HA -0.149 4.020 4.170 -0.002 0.000 0.244 526 I C 2.332 178.262 176.117 -0.311 0.000 1.089 526 I CA 1.195 62.239 61.300 -0.426 0.000 1.410 526 I CB -0.308 37.303 38.000 -0.647 0.000 1.117 526 I HN 0.344 nan 8.210 nan 0.000 0.429 527 E N 1.251 121.375 120.200 -0.127 0.000 2.318 527 E HA 0.019 4.368 4.350 -0.002 0.000 0.193 527 E C 0.917 177.571 176.600 0.091 0.000 0.998 527 E CA 0.080 56.522 56.400 0.069 0.000 0.859 527 E CB 0.155 30.020 29.700 0.274 0.000 0.812 527 E HN 0.266 nan 8.360 nan 0.000 0.492 528 K N 1.135 121.569 120.400 0.056 0.000 2.149 528 K HA 0.073 4.392 4.320 -0.002 0.000 0.245 528 K C -1.618 175.019 176.600 0.062 0.000 1.024 528 K CA -1.515 54.807 56.287 0.060 0.000 0.899 528 K CB 0.467 32.996 32.500 0.049 0.000 1.038 528 K HN -0.109 nan 8.250 nan 0.000 0.496 529 P HA -0.166 nan 4.420 nan 0.000 0.215 529 P C 0.862 178.197 177.300 0.057 0.000 1.157 529 P CA 1.654 64.787 63.100 0.056 0.000 0.874 529 P CB 0.193 31.917 31.700 0.041 0.000 0.790 530 M N -1.112 118.519 119.600 0.051 0.000 2.453 530 M HA 0.201 4.680 4.480 -0.002 0.000 0.239 530 M C 0.928 177.316 176.300 0.146 0.000 1.151 530 M CA 0.027 55.351 55.300 0.040 0.000 0.989 530 M CB -0.377 32.195 32.600 -0.046 0.000 1.548 530 M HN -0.161 nan 8.290 nan 0.000 0.479 531 G N 0.310 109.186 108.800 0.128 0.000 2.572 531 G HA2 0.359 4.318 3.960 -0.002 0.000 0.261 531 G HA3 0.359 4.318 3.960 -0.002 0.000 0.261 531 G C 1.204 176.099 174.900 -0.008 0.000 1.197 531 G CA -0.689 44.434 45.100 0.040 0.000 0.870 531 G HN 0.237 nan 8.290 nan 0.000 0.548 532 I N -0.150 120.295 120.570 -0.208 0.000 2.203 532 I HA -0.355 3.814 4.170 -0.002 0.000 0.237 532 I C 2.481 178.631 176.117 0.054 0.000 0.993 532 I CA 1.927 63.116 61.300 -0.184 0.000 1.277 532 I CB -0.722 37.044 38.000 -0.391 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.086 121.064 119.950 0.046 0.000 2.065 533 F HA -0.244 4.282 4.527 -0.002 0.000 0.298 533 F C 3.054 178.911 175.800 0.096 0.000 1.112 533 F CA 1.830 59.882 58.000 0.086 0.000 1.212 533 F CB -1.388 37.633 39.000 0.034 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.270 116.125 115.700 0.258 0.000 2.365 534 S HA -0.214 4.255 4.470 -0.002 0.000 0.221 534 S C 2.227 176.928 174.600 0.170 0.000 1.037 534 S CA 1.658 59.965 58.200 0.177 0.000 1.060 534 S CB -0.643 62.633 63.200 0.125 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.051 121.722 120.570 0.169 0.000 2.300 535 I HA -0.217 3.952 4.170 -0.002 0.000 0.252 535 I C 2.217 178.497 176.117 0.272 0.000 1.119 535 I CA 0.807 62.219 61.300 0.187 0.000 1.384 535 I CB -0.287 37.800 38.000 0.144 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.097 122.504 121.223 0.306 0.000 2.044 536 L HA -0.181 4.158 4.340 -0.002 0.000 0.205 536 L C 2.386 179.258 176.870 0.003 0.000 1.075 536 L CA 1.842 56.727 54.840 0.075 0.000 0.747 536 L CB -0.690 41.501 42.059 0.220 0.000 0.903 536 L HN 0.339 nan 8.230 nan 0.000 0.435 537 E N -1.505 118.762 120.200 0.111 0.000 2.502 537 E HA -0.125 4.223 4.350 -0.002 0.000 0.194 537 E C 1.519 178.177 176.600 0.096 0.000 1.062 537 E CA 0.354 56.804 56.400 0.084 0.000 0.867 537 E CB -0.045 29.714 29.700 0.099 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.444 121.715 120.200 0.118 0.000 2.065 538 E HA -0.129 4.219 4.350 -0.002 0.000 0.191 538 E C 1.649 178.392 176.600 0.238 0.000 0.960 538 E CA 0.286 56.788 56.400 0.171 0.000 0.824 538 E CB 0.202 30.005 29.700 0.172 0.000 0.793 538 E HN 0.025 nan 8.360 nan 0.000 0.459 539 E N 0.234 120.528 120.200 0.157 0.000 2.233 539 E HA -0.210 4.139 4.350 -0.002 0.000 0.199 539 E C 1.672 178.367 176.600 0.159 0.000 1.004 539 E CA 0.925 57.402 56.400 0.128 0.000 0.819 539 E CB -0.267 29.439 29.700 0.009 0.000 0.738 539 E HN 0.244 nan 8.360 nan 0.000 0.478 540 C N -0.511 118.837 119.300 0.080 0.000 2.466 540 C HA 0.038 4.497 4.460 -0.002 0.000 0.283 540 C C 2.172 177.210 174.990 0.079 0.000 1.472 540 C CA 0.432 59.476 59.018 0.042 0.000 1.765 540 C CB -0.894 26.848 27.740 0.003 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.678 118.009 119.600 0.144 0.000 2.465 541 M HA 0.210 4.688 4.480 -0.002 0.000 0.249 541 M C -0.285 175.995 176.300 -0.033 0.000 1.130 541 M CA 0.423 55.752 55.300 0.048 0.000 1.067 541 M CB 0.223 32.836 32.600 0.021 0.000 1.394 541 M HN 0.119 nan 8.290 nan 0.000 0.483 542 F N 1.534 121.478 119.950 -0.010 0.000 2.404 542 F HA 0.236 4.762 4.527 -0.002 0.000 0.359 542 F C -1.553 174.236 175.800 -0.019 0.000 1.134 542 F CA -2.310 55.684 58.000 -0.009 0.000 1.160 542 F CB 0.279 39.281 39.000 0.003 0.000 1.186 542 F HN -0.033 nan 8.300 nan 0.000 0.526 543 P HA -0.190 nan 4.420 nan 0.000 0.224 543 P C 0.258 177.581 177.300 0.038 0.000 1.142 543 P CA 1.413 64.517 63.100 0.007 0.000 0.778 543 P CB 0.178 31.848 31.700 -0.050 0.000 0.764 544 K N -1.306 119.152 120.400 0.097 0.000 3.012 544 K HA 0.429 4.748 4.320 -0.002 0.000 0.207 544 K C -0.225 176.432 176.600 0.096 0.000 1.130 544 K CA -0.343 55.991 56.287 0.079 0.000 1.021 544 K CB 1.131 33.670 32.500 0.066 0.000 0.736 544 K HN -0.015 nan 8.250 nan 0.000 0.448 545 A N 0.404 123.287 122.820 0.106 0.000 2.264 545 A HA 0.681 4.999 4.320 -0.002 0.000 0.304 545 A C 0.026 177.639 177.584 0.049 0.000 1.100 545 A CA -0.062 52.017 52.037 0.070 0.000 0.839 545 A CB 0.848 19.891 19.000 0.072 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.159 114.422 114.554 0.044 0.000 2.916 546 T HA 0.340 4.689 4.350 -0.002 0.000 0.292 546 T C 0.168 174.912 174.700 0.073 0.000 1.064 546 T CA -0.386 61.743 62.100 0.049 0.000 1.011 546 T CB 1.474 70.371 68.868 0.047 0.000 1.152 546 T HN 0.583 nan 8.240 nan 0.000 0.510 547 D N 0.974 121.413 120.400 0.065 0.000 2.104 547 D HA -0.087 4.551 4.640 -0.002 0.000 0.194 547 D C 2.093 178.454 176.300 0.102 0.000 0.994 547 D CA 1.514 55.572 54.000 0.097 0.000 0.830 547 D CB -0.315 40.494 40.800 0.015 0.000 0.959 547 D HN 0.467 nan 8.370 nan 0.000 0.452 548 T N 0.120 114.707 114.554 0.056 0.000 2.720 548 T HA -0.185 4.164 4.350 -0.002 0.000 0.268 548 T C 2.075 176.797 174.700 0.036 0.000 1.037 548 T CA 1.824 63.951 62.100 0.045 0.000 1.144 548 T CB -0.309 68.591 68.868 0.054 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.613 117.342 115.700 0.048 0.000 2.354 549 S HA -0.190 4.279 4.470 -0.002 0.000 0.219 549 S C 1.871 176.493 174.600 0.036 0.000 1.035 549 S CA 1.508 59.723 58.200 0.024 0.000 1.037 549 S CB -0.979 62.226 63.200 0.008 0.000 0.956 549 S HN 0.420 nan 8.310 nan 0.000 0.428 550 F N 3.389 123.276 119.950 -0.105 0.000 2.085 550 F HA -0.175 4.351 4.527 -0.002 0.000 0.299 550 F C 2.333 178.041 175.800 -0.153 0.000 1.096 550 F CA 2.310 60.236 58.000 -0.123 0.000 1.227 550 F CB -1.018 37.916 39.000 -0.110 0.000 0.983 550 F HN 0.412 nan 8.300 nan 0.000 0.482 551 K N 0.416 120.594 120.400 -0.370 0.000 2.001 551 K HA -0.273 4.046 4.320 -0.002 0.000 0.214 551 K C 1.993 178.343 176.600 -0.417 0.000 1.050 551 K CA 2.061 58.000 56.287 -0.580 0.000 0.934 551 K CB -0.515 31.810 32.500 -0.292 0.000 0.718 551 K HN 0.349 nan 8.250 nan 0.000 0.443 552 N N 0.983 119.611 118.700 -0.120 0.000 2.137 552 N HA -0.181 4.558 4.740 -0.002 0.000 0.190 552 N C 1.687 177.165 175.510 -0.055 0.000 1.017 552 N CA 1.466 54.533 53.050 0.028 0.000 0.859 552 N CB -0.157 38.356 38.487 0.044 0.000 1.002 552 N HN 0.333 nan 8.380 nan 0.000 0.428 553 K N 0.334 120.654 120.400 -0.133 0.000 2.147 553 K HA -0.058 4.261 4.320 -0.002 0.000 0.205 553 K C 1.908 178.384 176.600 -0.206 0.000 1.049 553 K CA 0.439 56.643 56.287 -0.137 0.000 0.936 553 K CB -0.077 32.362 32.500 -0.101 0.000 0.722 553 K HN -0.013 nan 8.250 nan 0.000 0.446 554 L N 0.033 121.044 121.223 -0.353 0.000 2.046 554 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 554 L C 1.814 178.470 176.870 -0.357 0.000 1.077 554 L CA 1.792 56.359 54.840 -0.456 0.000 0.747 554 L CB -0.507 41.072 42.059 -0.800 0.000 0.896 554 L HN 0.141 nan 8.230 nan 0.000 0.432 555 Y N -0.337 119.868 120.300 -0.158 0.000 2.114 555 Y HA -0.174 4.375 4.550 -0.002 0.000 0.284 555 Y C 2.451 178.277 175.900 -0.124 0.000 1.119 555 Y CA 1.198 59.268 58.100 -0.050 0.000 1.108 555 Y CB -1.009 37.475 38.460 0.041 0.000 0.995 555 Y HN 0.153 nan 8.280 nan 0.000 0.491 556 D N -0.285 120.163 120.400 0.081 0.000 2.244 556 D HA -0.260 4.379 4.640 -0.002 0.000 0.197 556 D C 2.023 178.258 176.300 -0.108 0.000 1.006 556 D CA 1.958 55.948 54.000 -0.017 0.000 0.888 556 D CB -0.236 40.542 40.800 -0.038 0.000 0.912 556 D HN 0.429 nan 8.370 nan 0.000 0.452 557 Q N -1.461 118.208 119.800 -0.217 0.000 2.373 557 Q HA -0.006 4.333 4.340 -0.002 0.000 0.210 557 Q C 1.422 177.065 176.000 -0.595 0.000 0.913 557 Q CA 0.957 56.520 55.803 -0.400 0.000 0.911 557 Q CB 0.320 28.757 28.738 -0.502 0.000 1.040 557 Q HN 0.347 nan 8.270 nan 0.000 0.521 558 H N -0.997 117.831 119.070 -0.404 0.000 2.788 558 H HA 0.227 4.782 4.556 -0.002 0.000 0.262 558 H C -0.055 175.111 175.328 -0.269 0.000 0.968 558 H CA -0.168 55.546 56.048 -0.558 0.000 1.218 558 H CB 0.414 29.399 29.762 -1.295 0.000 1.443 558 H HN 0.188 nan 8.280 nan 0.000 0.478 559 L N 1.245 122.498 121.223 0.050 0.000 2.499 559 L HA 0.161 4.499 4.340 -0.002 0.000 0.273 559 L C 1.305 178.267 176.870 0.153 0.000 1.195 559 L CA 1.117 56.154 54.840 0.327 0.000 0.882 559 L CB 0.339 42.647 42.059 0.415 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.026 111.927 108.800 0.169 0.000 2.347 560 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.247 560 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.247 560 G C 1.216 176.159 174.900 0.072 0.000 1.037 560 G CA 0.544 45.700 45.100 0.093 0.000 0.622 560 G HN 0.645 nan 8.290 nan 0.000 0.521 561 K N 0.144 120.582 120.400 0.064 0.000 2.323 561 K HA 0.304 4.623 4.320 -0.002 0.000 0.197 561 K C 0.418 177.056 176.600 0.065 0.000 1.043 561 K CA 0.663 56.971 56.287 0.035 0.000 0.997 561 K CB 0.210 32.700 32.500 -0.017 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.046 115.817 115.700 0.118 0.000 2.532 562 S HA 0.214 4.683 4.470 -0.002 0.000 0.299 562 S C 0.225 174.933 174.600 0.180 0.000 1.105 562 S CA -0.644 57.643 58.200 0.144 0.000 1.018 562 S CB 1.777 65.070 63.200 0.154 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.743 121.520 118.700 0.128 0.000 2.250 563 N HA -0.034 4.705 4.740 -0.002 0.000 0.181 563 N C 1.027 176.608 175.510 0.119 0.000 1.017 563 N CA 0.749 53.865 53.050 0.110 0.000 0.866 563 N CB 0.008 38.541 38.487 0.078 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.854 117.920 118.700 0.124 0.000 2.494 564 N HA -0.024 4.714 4.740 -0.002 0.000 0.182 564 N C -0.622 174.976 175.510 0.147 0.000 1.076 564 N CA 0.174 53.289 53.050 0.109 0.000 0.908 564 N CB 0.164 38.697 38.487 0.076 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.652 121.620 119.950 0.031 0.000 2.404 565 F HA 0.358 4.884 4.527 -0.002 0.000 0.345 565 F C -0.089 175.770 175.800 0.098 0.000 1.110 565 F CA -0.254 57.776 58.000 0.050 0.000 1.130 565 F CB 0.628 39.634 39.000 0.010 0.000 1.129 565 F HN -0.117 nan 8.300 nan 0.000 0.500 566 Q N 4.089 123.623 119.800 -0.444 0.000 2.482 566 Q HA 0.287 4.625 4.340 -0.002 0.000 0.286 566 Q C -1.463 174.399 176.000 -0.230 0.000 1.007 566 Q CA -1.309 54.377 55.803 -0.195 0.000 0.801 566 Q CB 3.018 31.718 28.738 -0.063 0.000 1.455 566 Q HN 0.627 nan 8.270 nan 0.000 0.398 567 K N 0.546 120.912 120.400 -0.055 0.000 2.183 567 K HA 0.564 4.883 4.320 -0.002 0.000 0.274 567 K C -2.564 174.033 176.600 -0.005 0.000 1.009 567 K CA -1.782 54.518 56.287 0.023 0.000 0.888 567 K CB 0.895 33.409 32.500 0.023 0.000 1.078 567 K HN 0.137 nan 8.250 nan 0.000 0.459 568 P HA -0.086 nan 4.420 nan 0.000 0.266 568 P C -1.058 176.226 177.300 -0.027 0.000 1.195 568 P CA -0.075 63.008 63.100 -0.029 0.000 0.768 568 P CB 0.500 32.170 31.700 -0.050 0.000 0.838 569 K N 4.273 124.657 120.400 -0.026 0.000 2.266 569 K HA 0.246 4.564 4.320 -0.002 0.000 0.274 569 K C -2.012 174.576 176.600 -0.020 0.000 1.090 569 K CA -1.821 54.454 56.287 -0.020 0.000 0.925 569 K CB -0.171 32.322 32.500 -0.013 0.000 1.225 569 K HN 0.301 nan 8.250 nan 0.000 0.458 570 P HA 0.014 nan 4.420 nan 0.000 0.263 570 P C -1.057 176.237 177.300 -0.009 0.000 1.175 570 P CA -0.075 63.014 63.100 -0.018 0.000 0.761 570 P CB 1.009 32.698 31.700 -0.018 0.000 0.794 576 E N -0.691 119.590 120.200 0.135 0.000 2.330 576 E HA 0.666 5.014 4.350 -0.002 0.000 0.256 576 E C -0.368 176.212 176.600 -0.033 0.000 1.146 576 E CA -0.049 56.365 56.400 0.024 0.000 0.945 576 E CB 1.658 31.360 29.700 0.004 0.000 1.182 576 E HN 1.268 nan 8.360 nan 0.000 0.480 577 A N 0.677 123.382 122.820 -0.193 0.000 2.589 577 A HA 0.367 4.686 4.320 -0.002 0.000 0.296 577 A C -0.906 176.476 177.584 -0.338 0.000 1.062 577 A CA -0.551 51.378 52.037 -0.180 0.000 0.686 577 A CB 0.972 19.903 19.000 -0.115 0.000 1.282 577 A HN 0.792 nan 8.150 nan 0.000 0.404 578 H N 0.443 119.469 119.070 -0.073 0.000 3.017 578 H HA 0.297 4.851 4.556 -0.002 0.000 0.255 578 H C -0.630 174.777 175.328 0.132 0.000 0.990 578 H CA 1.053 57.117 56.048 0.027 0.000 1.205 578 H CB 1.043 30.792 29.762 -0.021 0.000 1.460 578 H HN 0.789 nan 8.280 nan 0.000 0.478 579 F N 0.546 120.501 119.950 0.007 0.000 2.680 579 F HA 0.463 4.989 4.527 -0.002 0.000 0.315 579 F C -1.573 174.202 175.800 -0.042 0.000 1.099 579 F CA -1.265 56.658 58.000 -0.128 0.000 1.033 579 F CB 0.874 39.685 39.000 -0.315 0.000 1.285 579 F HN -0.164 nan 8.300 nan 0.000 0.457 580 S N 3.483 119.178 115.700 -0.009 0.000 2.593 580 S HA 0.903 5.372 4.470 -0.002 0.000 0.297 580 S C -1.289 173.383 174.600 0.120 0.000 1.112 580 S CA -0.760 57.438 58.200 -0.003 0.000 1.043 580 S CB 2.286 65.462 63.200 -0.041 0.000 1.054 580 S HN 0.761 nan 8.310 nan 0.000 0.516 581 L N 1.256 122.607 121.223 0.212 0.000 2.341 581 L HA 0.586 4.925 4.340 -0.002 0.000 0.267 581 L C -0.830 176.129 176.870 0.149 0.000 1.009 581 L CA -0.628 54.329 54.840 0.195 0.000 0.819 581 L CB 2.317 44.530 42.059 0.256 0.000 1.323 581 L HN 0.646 nan 8.230 nan 0.000 0.425 582 V N 3.026 122.979 119.914 0.066 0.000 2.217 582 V HA 0.314 4.433 4.120 -0.002 0.000 0.264 582 V C 0.143 176.286 176.094 0.081 0.000 1.107 582 V CA -0.656 61.698 62.300 0.090 0.000 0.913 582 V CB -0.363 31.505 31.823 0.074 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.688 121.837 119.070 0.133 0.000 2.544 583 H HA 0.103 4.658 4.556 -0.002 0.000 0.365 583 H C 1.189 176.470 175.328 -0.080 0.000 1.268 583 H CA 0.225 56.324 56.048 0.086 0.000 1.400 583 H CB 1.238 31.129 29.762 0.214 0.000 1.538 583 H HN 0.666 nan 8.280 nan 0.000 0.597 584 Y N -0.023 120.340 120.300 0.106 0.000 2.165 584 Y HA -0.164 4.384 4.550 -0.002 0.000 0.286 584 Y C 2.211 178.023 175.900 -0.146 0.000 1.155 584 Y CA 1.087 59.176 58.100 -0.020 0.000 1.164 584 Y CB -0.912 37.537 38.460 -0.019 0.000 0.978 584 Y HN 0.527 nan 8.280 nan 0.000 0.513 585 A N 0.516 122.736 122.820 -1.000 0.000 2.014 585 A HA 0.432 4.751 4.320 -0.002 0.000 0.218 585 A C 1.582 178.953 177.584 -0.354 0.000 1.163 585 A CA 1.323 52.897 52.037 -0.772 0.000 0.652 585 A CB -1.110 16.958 19.000 -1.553 0.000 0.808 585 A HN 0.986 nan 8.150 nan 0.000 0.449 586 G N -2.861 105.807 108.800 -0.222 0.000 2.350 586 G HA2 0.330 4.288 3.960 -0.002 0.000 0.276 586 G HA3 0.330 4.288 3.960 -0.002 0.000 0.276 586 G C -0.772 174.193 174.900 0.109 0.000 1.313 586 G CA -0.109 44.978 45.100 -0.023 0.000 0.903 586 G HN 0.201 nan 8.290 nan 0.000 0.490 587 T N 0.640 115.247 114.554 0.087 0.000 2.743 587 T HA 0.550 4.898 4.350 -0.002 0.000 0.293 587 T C -0.060 174.668 174.700 0.048 0.000 0.945 587 T CA -0.100 62.057 62.100 0.095 0.000 1.030 587 T CB 1.202 70.094 68.868 0.039 0.000 0.912 587 T HN 0.728 nan 8.240 nan 0.000 0.483 588 V N 4.427 124.373 119.914 0.052 0.000 2.417 588 V HA 0.316 4.435 4.120 -0.002 0.000 0.291 588 V C -0.134 175.717 176.094 -0.404 0.000 1.024 588 V CA -1.025 61.118 62.300 -0.261 0.000 0.861 588 V CB 1.812 33.333 31.823 -0.503 0.000 0.985 588 V HN 0.813 nan 8.190 nan 0.000 0.436 589 D N 4.285 124.435 120.400 -0.418 0.000 2.347 589 D HA 0.325 4.963 4.640 -0.002 0.000 0.235 589 D C -0.931 175.078 176.300 -0.484 0.000 1.149 589 D CA 0.112 53.906 54.000 -0.344 0.000 0.850 589 D CB 1.172 41.858 40.800 -0.190 0.000 1.061 589 D HN 0.440 nan 8.370 nan 0.000 0.487 590 Y N 1.289 121.309 120.300 -0.466 0.000 2.342 590 Y HA 0.167 4.716 4.550 -0.002 0.000 0.334 590 Y C 1.012 176.664 175.900 -0.414 0.000 1.067 590 Y CA -0.875 56.906 58.100 -0.533 0.000 1.128 590 Y CB 1.182 39.147 38.460 -0.825 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.970 122.611 118.700 -0.099 0.000 2.424 591 N HA 0.274 5.013 4.740 -0.002 0.000 0.271 591 N C -1.099 174.228 175.510 -0.306 0.000 0.985 591 N CA -0.303 52.742 53.050 -0.007 0.000 0.921 591 N CB 0.784 39.207 38.487 -0.106 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.864 122.902 120.570 -0.888 0.000 2.261 592 I HA 0.049 4.218 4.170 -0.002 0.000 0.285 592 I C 0.196 175.798 176.117 -0.859 0.000 1.113 592 I CA -0.228 60.157 61.300 -1.525 0.000 1.377 592 I CB 0.042 37.371 38.000 -1.118 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.290 117.790 115.700 -0.333 0.000 2.652 593 S HA 0.693 5.162 4.470 -0.002 0.000 0.252 593 S C 0.277 174.955 174.600 0.130 0.000 1.219 593 S CA 0.079 58.259 58.200 -0.034 0.000 1.151 593 S CB 1.286 64.513 63.200 0.044 0.000 1.080 593 S HN 0.803 nan 8.310 nan 0.000 0.481 594 G N 2.753 111.618 108.800 0.107 0.000 2.318 594 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.172 594 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.172 594 G C 0.572 175.467 174.900 -0.008 0.000 1.002 594 G CA 0.083 45.156 45.100 -0.045 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.783 121.915 121.300 -0.280 0.000 2.317 595 W HA 0.114 4.773 4.660 -0.002 0.000 0.318 595 W C 2.395 178.613 176.519 -0.502 0.000 1.227 595 W CA 1.489 58.567 57.345 -0.445 0.000 1.269 595 W CB -1.313 27.960 29.460 -0.312 0.000 1.155 595 W HN 0.278 nan 8.180 nan 0.000 0.484 596 L N 0.374 121.515 121.223 -0.136 0.000 1.997 596 L HA -0.250 4.089 4.340 -0.002 0.000 0.216 596 L C 2.486 179.262 176.870 -0.157 0.000 1.074 596 L CA 2.012 56.734 54.840 -0.198 0.000 0.763 596 L CB -1.254 40.725 42.059 -0.132 0.000 0.890 596 L HN 0.025 nan 8.230 nan 0.000 0.434 597 E N -0.563 119.565 120.200 -0.120 0.000 2.007 597 E HA -0.273 4.076 4.350 -0.002 0.000 0.194 597 E C 2.304 178.812 176.600 -0.153 0.000 0.999 597 E CA 1.408 57.749 56.400 -0.098 0.000 0.811 597 E CB -0.122 29.529 29.700 -0.082 0.000 0.762 597 E HN 0.385 nan 8.360 nan 0.000 0.450 598 K N 0.485 120.740 120.400 -0.241 0.000 2.127 598 K HA -0.209 4.110 4.320 -0.002 0.000 0.208 598 K C 1.872 178.292 176.600 -0.300 0.000 1.047 598 K CA 1.415 57.529 56.287 -0.288 0.000 0.927 598 K CB -0.117 32.118 32.500 -0.442 0.000 0.716 598 K HN -0.049 nan 8.250 nan 0.000 0.450 599 N N 0.543 119.003 118.700 -0.400 0.000 2.494 599 N HA -0.051 4.688 4.740 -0.002 0.000 0.182 599 N C 0.858 176.304 175.510 -0.106 0.000 1.076 599 N CA 0.900 53.768 53.050 -0.303 0.000 0.908 599 N CB 0.301 38.556 38.487 -0.385 0.000 0.967 599 N HN 0.135 nan 8.380 nan 0.000 0.449 600 K N -0.574 119.779 120.400 -0.079 0.000 2.323 600 K HA 0.021 4.340 4.320 -0.002 0.000 0.197 600 K C 0.327 176.956 176.600 0.048 0.000 1.043 600 K CA 0.246 56.532 56.287 -0.002 0.000 0.997 600 K CB 0.397 32.900 32.500 0.004 0.000 0.807 600 K HN -0.037 nan 8.250 nan 0.000 0.497 601 D N -0.147 120.268 120.400 0.024 0.000 3.786 601 D HA -0.183 4.456 4.640 -0.002 0.000 0.217 601 D C -2.368 174.021 176.300 0.148 0.000 1.718 601 D CA 1.808 55.844 54.000 0.060 0.000 2.037 601 D CB -1.552 39.309 40.800 0.101 0.000 1.255 601 D HN 0.166 nan 8.370 nan 0.000 0.598 602 P HA -0.122 nan 4.420 nan 0.000 0.246 602 P C -0.928 176.424 177.300 0.087 0.000 1.053 602 P CA 0.751 63.907 63.100 0.093 0.000 0.754 602 P CB -0.011 31.727 31.700 0.063 0.000 0.614 603 L N 2.496 123.775 121.223 0.094 0.000 2.436 603 L HA 0.412 4.751 4.340 -0.002 0.000 0.268 603 L C 0.411 177.260 176.870 -0.035 0.000 0.974 603 L CA -0.693 54.166 54.840 0.033 0.000 0.826 603 L CB 1.559 43.629 42.059 0.018 0.000 1.291 603 L HN 0.310 nan 8.230 nan 0.000 0.406 604 N N 2.174 120.825 118.700 -0.083 0.000 2.406 604 N HA -0.031 4.708 4.740 -0.002 0.000 0.274 604 N C 0.623 176.024 175.510 -0.183 0.000 1.249 604 N CA 0.479 53.459 53.050 -0.116 0.000 0.951 604 N CB 0.494 38.910 38.487 -0.119 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.611 121.734 120.200 -0.129 0.000 2.265 605 E HA -0.140 4.209 4.350 -0.002 0.000 0.196 605 E C 0.916 177.415 176.600 -0.168 0.000 0.996 605 E CA 1.339 57.655 56.400 -0.139 0.000 0.832 605 E CB 0.171 29.864 29.700 -0.012 0.000 0.756 605 E HN 0.665 nan 8.360 nan 0.000 0.491 606 T N 0.104 114.566 114.554 -0.152 0.000 2.737 606 T HA -0.121 4.227 4.350 -0.002 0.000 0.265 606 T C 2.047 176.616 174.700 -0.217 0.000 1.038 606 T CA 1.142 63.157 62.100 -0.141 0.000 1.144 606 T CB -0.155 68.651 68.868 -0.102 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.174 121.912 119.914 -0.293 0.000 2.287 607 V HA -0.157 3.962 4.120 -0.002 0.000 0.248 607 V C 2.490 178.108 176.094 -0.793 0.000 1.053 607 V CA 1.415 63.438 62.300 -0.462 0.000 1.027 607 V CB -0.752 30.794 31.823 -0.462 0.000 0.646 607 V HN 0.495 nan 8.190 nan 0.000 0.447 608 I N 1.008 121.096 120.570 -0.804 0.000 2.315 608 I HA -0.230 3.939 4.170 -0.002 0.000 0.251 608 I C 2.566 178.378 176.117 -0.509 0.000 1.125 608 I CA 1.783 62.536 61.300 -0.912 0.000 1.392 608 I CB -1.362 36.201 38.000 -0.728 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.581 110.180 108.800 -0.335 0.000 2.459 609 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.217 609 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.217 609 G C 1.532 176.354 174.900 -0.129 0.000 1.183 609 G CA 0.446 45.447 45.100 -0.165 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.005 121.128 121.223 -0.166 0.000 2.043 610 L HA -0.087 4.252 4.340 -0.002 0.000 0.212 610 L C 2.718 179.620 176.870 0.054 0.000 1.075 610 L CA 0.916 55.722 54.840 -0.058 0.000 0.752 610 L CB -1.348 40.680 42.059 -0.051 0.000 0.891 610 L HN 0.235 nan 8.230 nan 0.000 0.432 611 Y N -0.105 120.111 120.300 -0.139 0.000 2.128 611 Y HA -0.252 4.297 4.550 -0.002 0.000 0.284 611 Y C 2.745 178.607 175.900 -0.064 0.000 1.154 611 Y CA 0.934 58.954 58.100 -0.132 0.000 1.149 611 Y CB -1.188 37.081 38.460 -0.318 0.000 0.976 611 Y HN 0.322 nan 8.280 nan 0.000 0.505 612 Q N 0.271 120.130 119.800 0.098 0.000 2.308 612 Q HA -0.200 4.138 4.340 -0.002 0.000 0.209 612 Q C 0.393 176.428 176.000 0.058 0.000 0.985 612 Q CA 1.711 57.563 55.803 0.082 0.000 0.881 612 Q CB -0.079 28.688 28.738 0.049 0.000 0.917 612 Q HN 0.466 nan 8.270 nan 0.000 0.443 613 K N -0.953 119.475 120.400 0.047 0.000 2.896 613 K HA 0.248 4.567 4.320 -0.002 0.000 0.210 613 K C -0.418 176.203 176.600 0.035 0.000 1.116 613 K CA -0.229 56.078 56.287 0.033 0.000 1.050 613 K CB 1.298 33.810 32.500 0.021 0.000 0.812 613 K HN -0.136 nan 8.250 nan 0.000 0.462 614 S N 0.556 116.282 115.700 0.043 0.000 2.600 614 S HA 0.068 4.537 4.470 -0.002 0.000 0.265 614 S C 1.104 175.707 174.600 0.005 0.000 1.325 614 S CA -0.490 57.728 58.200 0.029 0.000 1.002 614 S CB 0.666 63.876 63.200 0.017 0.000 0.921 614 S HN 0.430 nan 8.310 nan 0.000 0.554 615 S N 1.099 116.796 115.700 -0.005 0.000 2.528 615 S HA 0.107 4.576 4.470 -0.002 0.000 0.219 615 S C 0.240 174.820 174.600 -0.034 0.000 0.985 615 S CA -0.218 57.974 58.200 -0.013 0.000 0.914 615 S CB 0.027 63.221 63.200 -0.009 0.000 0.776 615 S HN 0.470 nan 8.310 nan 0.000 0.526 616 V N 3.150 123.033 119.914 -0.052 0.000 2.218 616 V HA 0.245 4.363 4.120 -0.002 0.000 0.261 616 V C 1.093 177.133 176.094 -0.089 0.000 1.142 616 V CA -0.600 61.653 62.300 -0.079 0.000 0.965 616 V CB 0.322 32.081 31.823 -0.107 0.000 1.190 616 V HN 0.290 nan 8.190 nan 0.000 0.478 617 K N 1.451 121.809 120.400 -0.070 0.000 2.090 617 K HA -0.278 4.041 4.320 -0.002 0.000 0.218 617 K C 2.130 178.650 176.600 -0.134 0.000 1.055 617 K CA 2.433 58.678 56.287 -0.070 0.000 0.941 617 K CB -0.299 32.176 32.500 -0.043 0.000 0.722 617 K HN 0.663 nan 8.250 nan 0.000 0.458 618 T N 1.751 116.185 114.554 -0.200 0.000 2.635 618 T HA -0.186 4.162 4.350 -0.002 0.000 0.267 618 T C 1.715 176.156 174.700 -0.431 0.000 1.040 618 T CA 1.587 63.435 62.100 -0.421 0.000 1.156 618 T CB -0.317 68.253 68.868 -0.496 0.000 0.863 618 T HN 0.146 nan 8.240 nan 0.000 0.430 619 L N 1.430 122.480 121.223 -0.289 0.000 2.042 619 L HA 0.037 4.376 4.340 -0.002 0.000 0.210 619 L C 2.586 179.412 176.870 -0.073 0.000 1.076 619 L CA 1.982 56.699 54.840 -0.204 0.000 0.749 619 L CB -1.173 40.777 42.059 -0.182 0.000 0.893 619 L HN 0.233 nan 8.230 nan 0.000 0.432 620 A N -0.673 122.110 122.820 -0.063 0.000 1.883 620 A HA -0.208 4.110 4.320 -0.002 0.000 0.217 620 A C 2.239 179.827 177.584 0.007 0.000 1.186 620 A CA 2.055 54.099 52.037 0.011 0.000 0.624 620 A CB -0.969 18.028 19.000 -0.005 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.958 120.209 121.223 -0.093 0.000 1.970 621 L HA -0.194 4.145 4.340 -0.002 0.000 0.212 621 L C 2.333 179.138 176.870 -0.108 0.000 1.071 621 L CA 1.591 56.366 54.840 -0.109 0.000 0.751 621 L CB -0.671 41.275 42.059 -0.189 0.000 0.889 621 L HN 0.319 nan 8.230 nan 0.000 0.432 622 L N -1.537 119.539 121.223 -0.245 0.000 2.171 622 L HA -0.252 4.087 4.340 -0.002 0.000 0.216 622 L C 0.974 177.704 176.870 -0.234 0.000 1.084 622 L CA 1.749 56.407 54.840 -0.304 0.000 0.771 622 L CB -0.742 41.060 42.059 -0.428 0.000 0.890 622 L HN 0.113 nan 8.230 nan 0.000 0.437 623 F N -1.749 118.197 119.950 -0.007 0.000 2.664 623 F HA 0.429 4.955 4.527 -0.002 0.000 0.322 623 F C 1.054 176.908 175.800 0.091 0.000 1.324 623 F CA 0.066 58.112 58.000 0.076 0.000 1.154 623 F CB -0.039 39.014 39.000 0.088 0.000 1.236 623 F HN -0.100 nan 8.300 nan 0.000 0.532 624 A N -0.631 122.303 122.820 0.190 0.000 2.229 624 A HA 0.023 4.342 4.320 -0.002 0.000 0.211 624 A C 2.009 179.675 177.584 0.138 0.000 1.193 624 A CA 0.960 53.083 52.037 0.143 0.000 0.879 624 A CB -0.236 18.812 19.000 0.080 0.000 0.911 624 A HN 0.318 nan 8.150 nan 0.000 0.492 625 T N -1.580 113.061 114.554 0.144 0.000 3.148 625 T HA 0.130 4.479 4.350 -0.002 0.000 0.253 625 T C 0.434 175.203 174.700 0.116 0.000 1.134 625 T CA -0.070 62.091 62.100 0.102 0.000 1.051 625 T CB -0.608 68.299 68.868 0.066 0.000 0.959 625 T HN 0.315 nan 8.240 nan 0.000 0.525 648 T N 1.113 115.785 114.554 0.197 0.000 2.862 648 T HA 0.419 4.767 4.350 -0.002 0.000 0.276 648 T C 0.820 175.605 174.700 0.142 0.000 0.974 648 T CA 0.021 62.200 62.100 0.131 0.000 0.966 648 T CB 1.177 70.096 68.868 0.086 0.000 1.072 648 T HN 0.448 nan 8.240 nan 0.000 0.538 649 V N 1.875 121.855 119.914 0.111 0.000 2.346 649 V HA -0.058 4.060 4.120 -0.002 0.000 0.244 649 V C 2.825 179.009 176.094 0.149 0.000 1.037 649 V CA 2.126 64.508 62.300 0.136 0.000 1.029 649 V CB -0.670 31.231 31.823 0.130 0.000 0.663 649 V HN 1.030 nan 8.190 nan 0.000 0.454 650 S N 1.193 116.966 115.700 0.123 0.000 2.442 650 S HA -0.113 4.356 4.470 -0.002 0.000 0.236 650 S C 2.061 176.645 174.600 -0.027 0.000 1.007 650 S CA 1.159 59.358 58.200 -0.002 0.000 0.965 650 S CB -0.522 62.569 63.200 -0.182 0.000 0.773 650 S HN 0.548 nan 8.310 nan 0.000 0.504 651 A N 1.864 124.710 122.820 0.043 0.000 1.940 651 A HA 0.054 4.373 4.320 -0.002 0.000 0.219 651 A C 2.213 179.837 177.584 0.068 0.000 1.176 651 A CA 1.521 53.592 52.037 0.056 0.000 0.631 651 A CB -0.700 18.365 19.000 0.107 0.000 0.814 651 A HN 0.540 nan 8.150 nan 0.000 0.446 652 L N -2.629 118.665 121.223 0.118 0.000 2.071 652 L HA 0.005 4.344 4.340 -0.002 0.000 0.201 652 L C 2.298 179.246 176.870 0.129 0.000 1.076 652 L CA 1.139 56.053 54.840 0.124 0.000 0.755 652 L CB -0.698 41.458 42.059 0.161 0.000 0.915 652 L HN 0.409 nan 8.230 nan 0.000 0.445 653 F N 1.386 121.352 119.950 0.027 0.000 2.076 653 F HA -0.398 4.128 4.527 -0.002 0.000 0.294 653 F C 2.577 178.399 175.800 0.036 0.000 1.078 653 F CA 1.961 59.978 58.000 0.028 0.000 1.247 653 F CB -0.436 38.529 39.000 -0.059 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.078 120.279 120.500 -0.239 0.000 2.070 654 R HA -0.178 4.161 4.340 -0.002 0.000 0.233 654 R C 2.273 178.479 176.300 -0.157 0.000 1.137 654 R CA 1.796 57.758 56.100 -0.229 0.000 0.945 654 R CB -0.736 29.527 30.300 -0.060 0.000 0.845 654 R HN 0.401 nan 8.270 nan 0.000 0.430 655 E N 0.296 120.458 120.200 -0.063 0.000 2.118 655 E HA -0.203 4.146 4.350 -0.002 0.000 0.195 655 E C 1.477 178.062 176.600 -0.024 0.000 0.992 655 E CA 1.637 58.021 56.400 -0.028 0.000 0.804 655 E CB 0.023 29.727 29.700 0.007 0.000 0.741 655 E HN 0.374 nan 8.360 nan 0.000 0.458 656 N N -0.426 118.271 118.700 -0.004 0.000 2.135 656 N HA -0.121 4.618 4.740 -0.002 0.000 0.186 656 N C 1.611 177.103 175.510 -0.029 0.000 1.027 656 N CA 0.486 53.583 53.050 0.079 0.000 0.849 656 N CB -0.047 38.587 38.487 0.245 0.000 1.002 656 N HN 0.070 nan 8.380 nan 0.000 0.425 657 L N 1.288 122.364 121.223 -0.245 0.000 2.450 657 L HA -0.014 4.324 4.340 -0.002 0.000 0.224 657 L C 0.860 177.560 176.870 -0.283 0.000 1.149 657 L CA 1.531 56.127 54.840 -0.407 0.000 0.816 657 L CB -0.473 41.184 42.059 -0.668 0.000 0.932 657 L HN 0.098 nan 8.230 nan 0.000 0.449 658 N N -0.620 117.974 118.700 -0.176 0.000 2.387 658 N HA -0.061 4.677 4.740 -0.002 0.000 0.176 658 N C 1.623 177.074 175.510 -0.099 0.000 1.022 658 N CA 0.882 53.858 53.050 -0.124 0.000 0.883 658 N CB -0.144 38.301 38.487 -0.069 0.000 1.019 658 N HN 0.320 nan 8.380 nan 0.000 0.435 659 K N 0.379 120.739 120.400 -0.066 0.000 2.283 659 K HA -0.052 4.267 4.320 -0.002 0.000 0.202 659 K C 1.552 178.121 176.600 -0.051 0.000 1.048 659 K CA 0.723 56.993 56.287 -0.028 0.000 0.948 659 K CB 0.049 32.557 32.500 0.014 0.000 0.742 659 K HN 0.068 nan 8.250 nan 0.000 0.458 660 L N 0.529 121.677 121.223 -0.126 0.000 2.062 660 L HA 0.018 4.357 4.340 -0.002 0.000 0.202 660 L C 1.955 178.629 176.870 -0.327 0.000 1.079 660 L CA 1.399 56.082 54.840 -0.262 0.000 0.755 660 L CB -0.444 41.393 42.059 -0.370 0.000 0.913 660 L HN 0.129 nan 8.230 nan 0.000 0.445 661 M N -0.134 119.271 119.600 -0.325 0.000 2.435 661 M HA -0.106 4.373 4.480 -0.002 0.000 0.262 661 M C 2.089 178.229 176.300 -0.267 0.000 1.065 661 M CA 1.374 56.457 55.300 -0.362 0.000 1.076 661 M CB -1.471 30.937 32.600 -0.320 0.000 1.403 661 M HN 0.524 nan 8.290 nan 0.000 0.454 662 A N -0.228 122.496 122.820 -0.159 0.000 1.943 662 A HA -0.043 4.275 4.320 -0.002 0.000 0.213 662 A C 2.004 179.578 177.584 -0.017 0.000 1.181 662 A CA 0.915 52.909 52.037 -0.071 0.000 0.653 662 A CB -0.352 18.630 19.000 -0.031 0.000 0.833 662 A HN 0.379 nan 8.150 nan 0.000 0.451 663 N N -0.157 118.537 118.700 -0.010 0.000 2.270 663 N HA -0.055 4.684 4.740 -0.002 0.000 0.181 663 N C 1.386 176.984 175.510 0.146 0.000 1.016 663 N CA 0.757 53.889 53.050 0.137 0.000 0.870 663 N CB -0.234 38.367 38.487 0.190 0.000 0.979 663 N HN 0.276 nan 8.380 nan 0.000 0.431 664 L N 1.472 122.642 121.223 -0.088 0.000 2.141 664 L HA 0.009 4.347 4.340 -0.002 0.000 0.209 664 L C 2.169 178.998 176.870 -0.069 0.000 1.094 664 L CA 1.188 55.909 54.840 -0.198 0.000 0.763 664 L CB -0.351 41.323 42.059 -0.643 0.000 0.908 664 L HN 0.083 nan 8.230 nan 0.000 0.437 665 R N -1.001 119.477 120.500 -0.037 0.000 2.062 665 R HA -0.006 4.333 4.340 -0.002 0.000 0.229 665 R C 1.585 177.970 176.300 0.141 0.000 1.128 665 R CA 1.357 57.533 56.100 0.127 0.000 0.960 665 R CB -0.507 29.837 30.300 0.074 0.000 0.855 665 R HN 0.364 nan 8.270 nan 0.000 0.432 666 S N 0.733 116.503 115.700 0.116 0.000 3.009 666 S HA 0.061 4.530 4.470 -0.002 0.000 0.243 666 S C 0.044 174.686 174.600 0.069 0.000 1.012 666 S CA 0.088 58.352 58.200 0.107 0.000 1.113 666 S CB 0.031 63.317 63.200 0.144 0.000 0.827 666 S HN 0.089 nan 8.310 nan 0.000 0.495 667 T N 1.198 115.802 114.554 0.082 0.000 2.906 667 T HA 0.271 4.620 4.350 -0.002 0.000 0.295 667 T C -0.919 173.827 174.700 0.076 0.000 1.061 667 T CA -0.663 61.457 62.100 0.035 0.000 1.000 667 T CB 1.427 70.346 68.868 0.085 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.888 122.876 119.070 -0.136 0.000 2.872 668 H HA 0.281 4.835 4.556 -0.002 0.000 0.273 668 H C -2.354 172.722 175.328 -0.419 0.000 1.205 668 H CA -2.550 53.345 56.048 -0.254 0.000 1.342 668 H CB 0.544 30.134 29.762 -0.287 0.000 1.469 668 H HN 0.163 nan 8.280 nan 0.000 0.487 669 P HA -0.014 nan 4.420 nan 0.000 0.267 669 P C -0.881 175.791 177.300 -1.046 0.000 1.205 669 P CA 0.502 63.198 63.100 -0.672 0.000 0.765 669 P CB 0.646 31.854 31.700 -0.819 0.000 0.828 670 H N 2.873 121.563 119.070 -0.633 0.000 2.658 670 H HA 0.341 4.896 4.556 -0.002 0.000 0.337 670 H C -0.475 174.645 175.328 -0.348 0.000 1.009 670 H CA -0.303 55.505 56.048 -0.400 0.000 1.231 670 H CB 0.629 30.244 29.762 -0.245 0.000 1.508 670 H HN 0.281 nan 8.280 nan 0.000 0.517 671 F N 1.901 121.973 119.950 0.202 0.000 2.421 671 F HA 0.418 4.944 4.527 -0.002 0.000 0.337 671 F C 0.302 176.264 175.800 0.269 0.000 1.105 671 F CA -0.774 57.384 58.000 0.264 0.000 1.049 671 F CB 1.599 40.830 39.000 0.385 0.000 1.139 671 F HN 0.090 nan 8.300 nan 0.000 0.479 672 V N 3.971 124.114 119.914 0.382 0.000 2.524 672 V HA 0.519 4.638 4.120 -0.002 0.000 0.297 672 V C -0.735 175.442 176.094 0.137 0.000 1.035 672 V CA -0.897 61.539 62.300 0.228 0.000 0.867 672 V CB 1.664 33.563 31.823 0.126 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.546 123.076 120.500 0.050 0.000 2.288 673 R HA 0.554 4.892 4.340 -0.002 0.000 0.326 673 R C -0.792 175.479 176.300 -0.048 0.000 0.959 673 R CA -0.683 55.366 56.100 -0.085 0.000 0.834 673 R CB 1.125 31.228 30.300 -0.327 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.353 123.634 119.300 -0.032 0.000 2.369 674 C HA 0.574 5.033 4.460 -0.002 0.000 0.358 674 C C 0.748 175.700 174.990 -0.063 0.000 1.274 674 C CA -0.611 58.391 59.018 -0.027 0.000 1.935 674 C CB -0.252 27.488 27.740 0.001 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.225 123.739 120.570 -0.093 0.000 2.646 675 I HA 0.517 4.686 4.170 -0.002 0.000 0.299 675 I C -0.258 175.771 176.117 -0.145 0.000 1.036 675 I CA -0.310 60.917 61.300 -0.122 0.000 1.074 675 I CB 1.473 39.377 38.000 -0.161 0.000 1.258 675 I HN 0.577 nan 8.210 nan 0.000 0.430 676 I N 7.516 128.020 120.570 -0.110 0.000 2.420 676 I HA 0.362 4.530 4.170 -0.002 0.000 0.282 676 I C -1.916 174.162 176.117 -0.065 0.000 1.019 676 I CA -2.349 58.906 61.300 -0.075 0.000 1.130 676 I CB 2.063 40.073 38.000 0.016 0.000 1.262 676 I HN 0.379 nan 8.210 nan 0.000 0.454 677 P HA -0.105 nan 4.420 nan 0.000 0.211 677 P C -0.822 176.504 177.300 0.043 0.000 1.179 677 P CA 1.300 64.346 63.100 -0.089 0.000 0.910 677 P CB -0.072 31.581 31.700 -0.078 0.000 0.785 678 N N -2.434 116.363 118.700 0.162 0.000 2.287 678 N HA 0.193 4.932 4.740 -0.002 0.000 0.289 678 N C 0.165 175.741 175.510 0.111 0.000 1.066 678 N CA -0.781 52.339 53.050 0.116 0.000 0.841 678 N CB 1.041 39.596 38.487 0.113 0.000 1.599 678 N HN -0.187 nan 8.380 nan 0.000 0.476 679 E N -0.168 120.063 120.200 0.052 0.000 2.219 679 E HA -0.212 4.137 4.350 -0.002 0.000 0.198 679 E C 0.944 177.538 176.600 -0.010 0.000 0.998 679 E CA 1.892 58.309 56.400 0.027 0.000 0.818 679 E CB -0.123 29.583 29.700 0.010 0.000 0.741 679 E HN 0.846 nan 8.360 nan 0.000 0.477 680 T N -1.423 113.123 114.554 -0.015 0.000 3.160 680 T HA 0.008 4.357 4.350 -0.002 0.000 0.257 680 T C 0.541 175.167 174.700 -0.123 0.000 1.147 680 T CA 0.064 62.135 62.100 -0.049 0.000 1.064 680 T CB -0.150 68.703 68.868 -0.026 0.000 0.949 680 T HN 0.035 nan 8.240 nan 0.000 0.526 681 K N 1.174 121.437 120.400 -0.228 0.000 3.585 681 K HA -0.115 4.203 4.320 -0.002 0.000 0.275 681 K C -1.082 175.305 176.600 -0.356 0.000 1.026 681 K CA 0.544 56.453 56.287 -0.629 0.000 0.800 681 K CB -1.810 30.387 32.500 -0.505 0.000 1.401 681 K HN 0.544 nan 8.250 nan 0.000 0.453 682 T N 1.601 116.125 114.554 -0.050 0.000 2.937 682 T HA 0.385 4.733 4.350 -0.002 0.000 0.297 682 T C -2.609 172.301 174.700 0.351 0.000 0.991 682 T CA -1.372 60.801 62.100 0.123 0.000 0.990 682 T CB 2.132 71.061 68.868 0.102 0.000 0.991 682 T HN -0.021 nan 8.240 nan 0.000 0.440 683 P HA 0.313 nan 4.420 nan 0.000 0.272 683 P C 1.043 178.491 177.300 0.247 0.000 1.230 683 P CA 0.331 63.668 63.100 0.395 0.000 0.788 683 P CB 0.309 32.229 31.700 0.367 0.000 0.949 684 G N -0.399 108.360 108.800 -0.068 0.000 2.187 684 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.261 684 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.261 684 G C 0.262 175.029 174.900 -0.221 0.000 1.000 684 G CA 0.370 45.087 45.100 -0.637 0.000 0.718 684 G HN 0.897 nan 8.290 nan 0.000 0.519 685 A N -1.241 121.714 122.820 0.224 0.000 2.430 685 A HA 0.990 5.309 4.320 -0.002 0.000 0.300 685 A C -0.445 177.329 177.584 0.317 0.000 1.124 685 A CA -0.060 52.121 52.037 0.239 0.000 0.766 685 A CB 1.862 20.945 19.000 0.140 0.000 1.328 685 A HN 1.343 nan 8.150 nan 0.000 0.424 686 M N 1.112 120.798 119.600 0.145 0.000 2.255 686 M HA 0.327 4.806 4.480 -0.002 0.000 0.275 686 M C -1.511 174.806 176.300 0.028 0.000 1.050 686 M CA 0.085 55.428 55.300 0.072 0.000 0.978 686 M CB 1.710 34.349 32.600 0.064 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.099 123.306 120.200 0.012 0.000 2.331 687 E HA 0.202 4.551 4.350 -0.002 0.000 0.272 687 E C -0.028 176.611 176.600 0.065 0.000 1.036 687 E CA -0.350 56.032 56.400 -0.029 0.000 0.864 687 E CB 0.973 30.656 29.700 -0.029 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.945 120.972 119.070 -0.071 0.000 2.312 688 H HA -0.156 4.399 4.556 -0.002 0.000 0.299 688 H C 1.948 177.251 175.328 -0.043 0.000 1.051 688 H CA 0.987 56.983 56.048 -0.086 0.000 1.227 688 H CB 0.192 29.902 29.762 -0.087 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.332 121.622 120.200 0.151 0.000 2.273 689 E HA -0.205 4.144 4.350 -0.002 0.000 0.198 689 E C 2.204 178.896 176.600 0.153 0.000 1.002 689 E CA 0.876 57.350 56.400 0.123 0.000 0.828 689 E CB -0.113 29.646 29.700 0.098 0.000 0.747 689 E HN 0.378 nan 8.360 nan 0.000 0.491 690 L N 0.067 121.339 121.223 0.083 0.000 2.044 690 L HA -0.128 4.211 4.340 -0.002 0.000 0.205 690 L C 2.317 179.220 176.870 0.056 0.000 1.075 690 L CA 1.054 55.924 54.840 0.049 0.000 0.747 690 L CB -0.130 41.935 42.059 0.009 0.000 0.903 690 L HN -0.034 nan 8.230 nan 0.000 0.435 691 V N 0.018 119.944 119.914 0.021 0.000 2.427 691 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 691 V C 2.555 178.635 176.094 -0.023 0.000 1.051 691 V CA 1.775 64.057 62.300 -0.030 0.000 1.048 691 V CB -0.607 31.168 31.823 -0.080 0.000 0.666 691 V HN 0.425 nan 8.190 nan 0.000 0.456 692 L N -0.731 120.492 121.223 0.000 0.000 2.013 692 L HA -0.263 4.075 4.340 -0.002 0.000 0.212 692 L C 2.584 179.420 176.870 -0.057 0.000 1.073 692 L CA 2.008 56.832 54.840 -0.027 0.000 0.753 692 L CB -0.688 41.373 42.059 0.003 0.000 0.890 692 L HN 0.389 nan 8.230 nan 0.000 0.432 693 H N -0.097 118.947 119.070 -0.042 0.000 2.251 693 H HA -0.236 4.319 4.556 -0.002 0.000 0.294 693 H C 2.423 177.716 175.328 -0.059 0.000 1.078 693 H CA 2.231 58.252 56.048 -0.045 0.000 1.246 693 H CB -0.121 29.618 29.762 -0.038 0.000 1.358 693 H HN 0.349 nan 8.280 nan 0.000 0.488 694 Q N -0.342 119.509 119.800 0.084 0.000 2.112 694 Q HA -0.192 4.147 4.340 -0.002 0.000 0.206 694 Q C 2.261 178.217 176.000 -0.074 0.000 0.987 694 Q CA 1.494 57.297 55.803 -0.001 0.000 0.858 694 Q CB -0.351 28.371 28.738 -0.026 0.000 0.905 694 Q HN 0.319 nan 8.270 nan 0.000 0.420 695 L N 0.933 122.100 121.223 -0.094 0.000 2.127 695 L HA -0.191 4.148 4.340 -0.002 0.000 0.211 695 L C 2.399 179.188 176.870 -0.134 0.000 1.089 695 L CA 1.763 56.522 54.840 -0.134 0.000 0.757 695 L CB -0.420 41.566 42.059 -0.123 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.093 118.334 120.500 -0.122 0.000 2.075 696 R HA -0.027 4.312 4.340 -0.002 0.000 0.226 696 R C 2.133 178.395 176.300 -0.064 0.000 1.114 696 R CA 1.492 57.527 56.100 -0.108 0.000 0.972 696 R CB -0.851 29.355 30.300 -0.156 0.000 0.869 696 R HN 0.326 nan 8.270 nan 0.000 0.437 697 C N 0.674 119.928 119.300 -0.076 0.000 2.539 697 C HA 0.105 4.564 4.460 -0.002 0.000 0.268 697 C C 1.959 176.954 174.990 0.008 0.000 1.395 697 C CA 0.032 59.022 59.018 -0.047 0.000 1.757 697 C CB -1.448 26.284 27.740 -0.013 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.208 118.847 118.700 -0.102 0.000 2.173 698 N HA 0.105 4.843 4.740 -0.002 0.000 0.184 698 N C 1.668 176.956 175.510 -0.369 0.000 1.025 698 N CA 1.287 54.199 53.050 -0.231 0.000 0.852 698 N CB 0.029 38.301 38.487 -0.358 0.000 0.998 698 N HN 0.550 nan 8.380 nan 0.000 0.427 699 G N -0.727 107.859 108.800 -0.357 0.000 2.255 699 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.196 699 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.196 699 G C 0.854 175.597 174.900 -0.262 0.000 0.998 699 G CA 0.172 45.033 45.100 -0.398 0.000 0.656 699 G HN 0.149 nan 8.290 nan 0.000 0.490 700 V N 0.757 120.430 119.914 -0.403 0.000 2.287 700 V HA -0.115 4.004 4.120 -0.002 0.000 0.248 700 V C 2.697 178.792 176.094 0.001 0.000 1.053 700 V CA 2.321 64.530 62.300 -0.151 0.000 1.027 700 V CB -0.308 31.352 31.823 -0.271 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.674 120.505 121.223 -0.074 0.000 2.376 701 L HA -0.012 4.327 4.340 -0.002 0.000 0.219 701 L C 2.257 179.107 176.870 -0.033 0.000 1.133 701 L CA 1.535 56.343 54.840 -0.054 0.000 0.816 701 L CB -0.788 41.227 42.059 -0.072 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.130 119.053 120.200 -0.029 0.000 2.318 702 E HA 0.009 4.358 4.350 -0.002 0.000 0.193 702 E C 1.961 178.566 176.600 0.008 0.000 0.998 702 E CA 0.689 57.075 56.400 -0.024 0.000 0.859 702 E CB 0.242 29.905 29.700 -0.062 0.000 0.812 702 E HN 0.482 nan 8.360 nan 0.000 0.492 703 G N 0.732 109.589 108.800 0.094 0.000 2.464 703 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.217 703 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.217 703 G C 1.483 176.373 174.900 -0.015 0.000 1.138 703 G CA 0.041 45.212 45.100 0.119 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.326 120.890 120.570 -0.010 0.000 2.286 704 I HA 0.115 4.284 4.170 -0.002 0.000 0.245 704 I C 2.695 178.754 176.117 -0.095 0.000 1.104 704 I CA 0.509 61.776 61.300 -0.055 0.000 1.397 704 I CB -0.332 37.641 38.000 -0.045 0.000 1.072 704 I HN -0.029 nan 8.210 nan 0.000 0.417 705 R N 0.441 120.891 120.500 -0.083 0.000 2.103 705 R HA -0.135 4.204 4.340 -0.002 0.000 0.234 705 R C 2.262 178.477 176.300 -0.141 0.000 1.132 705 R CA 1.843 57.890 56.100 -0.089 0.000 0.925 705 R CB -0.615 29.651 30.300 -0.057 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.318 120.119 120.570 -0.221 0.000 2.423 706 I HA -0.384 3.785 4.170 -0.002 0.000 0.254 706 I C 2.188 178.094 176.117 -0.352 0.000 1.151 706 I CA 0.832 61.871 61.300 -0.434 0.000 1.421 706 I CB -0.224 37.357 38.000 -0.699 0.000 1.079 706 I HN 0.370 nan 8.210 nan 0.000 0.431 707 C N 0.578 119.730 119.300 -0.246 0.000 2.500 707 C HA -0.109 4.350 4.460 -0.002 0.000 0.279 707 C C 2.815 177.685 174.990 -0.200 0.000 1.288 707 C CA 0.675 59.569 59.018 -0.207 0.000 1.710 707 C CB -0.885 26.757 27.740 -0.164 0.000 2.052 707 C HN 0.515 nan 8.230 nan 0.000 0.488 708 R N 0.762 121.149 120.500 -0.189 0.000 2.369 708 R HA -0.016 4.322 4.340 -0.002 0.000 0.200 708 R C 1.232 177.380 176.300 -0.254 0.000 1.046 708 R CA 1.117 57.094 56.100 -0.206 0.000 1.057 708 R CB -0.354 29.842 30.300 -0.174 0.000 0.888 708 R HN 0.465 nan 8.270 nan 0.000 0.474 709 K N 0.057 120.303 120.400 -0.257 0.000 2.358 709 K HA 0.143 4.462 4.320 -0.002 0.000 0.197 709 K C 0.983 177.184 176.600 -0.666 0.000 1.025 709 K CA 0.137 56.196 56.287 -0.381 0.000 1.104 709 K CB 1.009 33.500 32.500 -0.014 0.000 0.855 709 K HN 0.359 nan 8.250 nan 0.000 0.531 710 G N 0.640 109.225 108.800 -0.359 0.000 3.048 710 G HA2 0.044 4.003 3.960 -0.002 0.000 0.151 710 G HA3 0.044 4.003 3.960 -0.002 0.000 0.151 710 G C -0.450 173.814 174.900 -1.061 0.000 1.803 710 G CA -0.223 44.639 45.100 -0.397 0.000 1.047 710 G HN 0.106 nan 8.290 nan 0.000 0.513 711 F N 1.690 120.264 119.950 -2.292 0.000 2.363 711 F HA 0.370 4.896 4.527 -0.002 0.000 0.366 711 F C -1.547 172.262 175.800 -3.318 0.000 1.083 711 F CA -1.737 53.644 58.000 -4.366 0.000 1.176 711 F CB 2.093 27.754 39.000 -22.232 0.000 1.432 711 F HN 0.112 nan 8.300 nan 0.000 0.482 712 P HA -0.137 nan 4.420 nan 0.000 0.203 712 P C 0.120 177.190 177.300 -0.383 0.000 0.967 712 P CA 1.019 63.715 63.100 -0.673 0.000 0.946 712 P CB -0.249 31.211 31.700 -0.400 0.000 0.690 713 S N 1.254 116.842 115.700 -0.187 0.000 2.544 713 S HA 0.127 4.596 4.470 -0.002 0.000 0.290 713 S C 0.342 175.001 174.600 0.098 0.000 1.276 713 S CA -0.223 57.955 58.200 -0.036 0.000 1.075 713 S CB -0.530 62.663 63.200 -0.012 0.000 0.849 713 S HN 0.177 nan 8.310 nan 0.000 0.494 714 R N 1.338 121.819 120.500 -0.031 0.000 2.473 714 R HA 0.525 4.863 4.340 -0.002 0.000 0.303 714 R C -1.676 174.527 176.300 -0.163 0.000 1.002 714 R CA -0.821 55.144 56.100 -0.227 0.000 0.884 714 R CB 0.785 30.656 30.300 -0.714 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.478 124.347 119.914 -0.076 0.000 2.465 715 V HA 0.219 4.338 4.120 -0.002 0.000 0.279 715 V C 0.373 176.368 176.094 -0.166 0.000 1.045 715 V CA -0.836 61.461 62.300 -0.006 0.000 0.938 715 V CB 1.496 33.464 31.823 0.242 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.451 125.640 121.223 -0.057 0.000 2.380 716 L HA 0.257 4.596 4.340 -0.002 0.000 0.273 716 L C 0.866 177.789 176.870 0.090 0.000 1.138 716 L CA 0.236 55.047 54.840 -0.047 0.000 0.832 716 L CB 0.575 42.651 42.059 0.029 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.307 123.687 120.300 0.133 0.000 2.062 717 Y HA -0.378 4.171 4.550 -0.002 0.000 0.276 717 Y C 2.227 178.271 175.900 0.241 0.000 1.189 717 Y CA 2.103 60.316 58.100 0.187 0.000 1.130 717 Y CB -0.858 37.678 38.460 0.128 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.170 122.847 122.820 0.327 0.000 1.898 718 A HA -0.188 4.131 4.320 -0.002 0.000 0.216 718 A C 1.813 179.517 177.584 0.199 0.000 1.181 718 A CA 1.898 54.070 52.037 0.225 0.000 0.620 718 A CB -0.927 18.165 19.000 0.153 0.000 0.819 718 A HN 0.446 nan 8.150 nan 0.000 0.442 719 D N -1.775 118.740 120.400 0.192 0.000 2.311 719 D HA -0.100 4.539 4.640 -0.002 0.000 0.212 719 D C 1.298 177.733 176.300 0.225 0.000 0.972 719 D CA 1.005 55.098 54.000 0.156 0.000 0.887 719 D CB -0.159 40.718 40.800 0.129 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.461 120.516 119.950 0.176 0.000 2.446 720 F HA 0.191 4.716 4.527 -0.002 0.000 0.292 720 F C 1.911 177.878 175.800 0.278 0.000 1.096 720 F CA 0.566 58.715 58.000 0.249 0.000 1.438 720 F CB 0.208 39.342 39.000 0.223 0.000 1.107 720 F HN -0.304 nan 8.300 nan 0.000 0.546 721 K N 0.405 120.962 120.400 0.263 0.000 1.963 721 K HA -0.268 4.051 4.320 -0.002 0.000 0.216 721 K C 2.168 178.780 176.600 0.020 0.000 1.045 721 K CA 1.887 58.265 56.287 0.151 0.000 0.954 721 K CB -0.529 32.073 32.500 0.171 0.000 0.732 721 K HN 0.295 nan 8.250 nan 0.000 0.442 722 Q N 0.707 120.521 119.800 0.024 0.000 2.045 722 Q HA -0.310 4.028 4.340 -0.002 0.000 0.215 722 Q C 2.055 177.982 176.000 -0.121 0.000 1.026 722 Q CA 2.303 58.087 55.803 -0.032 0.000 0.885 722 Q CB -0.228 28.500 28.738 -0.018 0.000 0.984 722 Q HN 0.177 nan 8.270 nan 0.000 0.414 723 R N -1.395 118.989 120.500 -0.193 0.000 2.152 723 R HA -0.127 4.212 4.340 -0.002 0.000 0.232 723 R C 0.928 176.807 176.300 -0.702 0.000 1.117 723 R CA 1.602 57.429 56.100 -0.455 0.000 0.981 723 R CB 0.095 30.047 30.300 -0.579 0.000 0.870 723 R HN 0.526 nan 8.270 nan 0.000 0.451 724 Y N -1.800 118.308 120.300 -0.320 0.000 2.527 724 Y HA 0.233 4.782 4.550 -0.002 0.000 0.247 724 Y C 1.819 177.595 175.900 -0.206 0.000 1.138 724 Y CA -0.511 57.390 58.100 -0.331 0.000 1.228 724 Y CB 0.125 38.222 38.460 -0.605 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.695 121.177 120.500 -0.029 0.000 2.159 725 R HA -0.211 4.128 4.340 -0.002 0.000 0.252 725 R C 1.585 177.890 176.300 0.009 0.000 1.144 725 R CA 2.289 58.394 56.100 0.008 0.000 0.961 725 R CB -0.602 29.698 30.300 0.001 0.000 0.877 725 R HN 0.214 nan 8.270 nan 0.000 0.444 726 V N 1.384 121.286 119.914 -0.020 0.000 2.764 726 V HA -0.257 3.862 4.120 -0.002 0.000 0.261 726 V C 2.167 178.262 176.094 0.002 0.000 1.108 726 V CA 1.545 63.833 62.300 -0.020 0.000 1.129 726 V CB -0.482 31.309 31.823 -0.052 0.000 0.701 726 V HN 0.332 nan 8.190 nan 0.000 0.495 727 L N -0.586 120.652 121.223 0.025 0.000 2.217 727 L HA 0.019 4.358 4.340 -0.002 0.000 0.211 727 L C 1.655 178.552 176.870 0.043 0.000 1.107 727 L CA 1.512 56.377 54.840 0.041 0.000 0.783 727 L CB -0.134 41.967 42.059 0.069 0.000 0.919 727 L HN 0.403 nan 8.230 nan 0.000 0.442 728 N N -1.534 117.194 118.700 0.046 0.000 2.393 728 N HA 0.094 4.833 4.740 -0.002 0.000 0.256 728 N C 1.091 176.629 175.510 0.046 0.000 1.449 728 N CA 0.562 53.642 53.050 0.050 0.000 0.887 728 N CB 0.616 39.143 38.487 0.068 0.000 1.374 728 N HN 0.081 nan 8.380 nan 0.000 0.503 729 A N 0.515 123.355 122.820 0.034 0.000 2.195 729 A HA -0.290 4.029 4.320 -0.002 0.000 0.225 729 A C 2.099 179.697 177.584 0.024 0.000 1.176 729 A CA 2.526 54.579 52.037 0.026 0.000 0.681 729 A CB -0.618 18.388 19.000 0.011 0.000 0.817 729 A HN 0.530 nan 8.150 nan 0.000 0.487 730 S N -0.842 114.873 115.700 0.025 0.000 2.496 730 S HA 0.364 4.832 4.470 -0.002 0.000 0.224 730 S C 1.376 175.993 174.600 0.028 0.000 0.996 730 S CA 0.676 58.888 58.200 0.020 0.000 0.927 730 S CB -0.491 62.718 63.200 0.016 0.000 0.774 730 S HN 1.233 nan 8.310 nan 0.000 0.524 731 A N 1.130 123.976 122.820 0.044 0.000 2.558 731 A HA 0.506 4.825 4.320 -0.002 0.000 0.235 731 A C 1.587 179.201 177.584 0.049 0.000 1.677 731 A CA 0.730 52.799 52.037 0.054 0.000 1.531 731 A CB -1.743 17.302 19.000 0.075 0.000 0.841 731 A HN 0.905 nan 8.150 nan 0.000 0.631 732 I N 0.648 121.232 120.570 0.025 0.000 2.270 732 I HA 0.017 4.186 4.170 -0.002 0.000 0.239 732 I C 0.820 176.934 176.117 -0.005 0.000 1.080 732 I CA 1.424 62.730 61.300 0.010 0.000 1.383 732 I CB -2.019 35.979 38.000 -0.004 0.000 1.097 732 I HN 0.479 nan 8.210 nan 0.000 0.420 733 P HA -0.230 nan 4.420 nan 0.000 0.215 733 P C 1.398 178.705 177.300 0.013 0.000 1.157 733 P CA 1.849 64.918 63.100 -0.052 0.000 0.868 733 P CB -0.214 31.455 31.700 -0.051 0.000 0.788 734 E N -0.703 119.526 120.200 0.048 0.000 2.358 734 E HA -0.010 4.339 4.350 -0.002 0.000 0.195 734 E C 2.072 178.719 176.600 0.078 0.000 1.010 734 E CA 0.662 57.110 56.400 0.081 0.000 0.856 734 E CB -0.432 29.305 29.700 0.061 0.000 0.795 734 E HN 0.288 nan 8.360 nan 0.000 0.504 735 G N 0.028 108.866 108.800 0.063 0.000 2.683 735 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.213 735 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.213 735 G C 1.342 176.285 174.900 0.072 0.000 1.142 735 G CA -0.038 45.103 45.100 0.068 0.000 0.793 735 G HN 0.125 nan 8.290 nan 0.000 0.534 736 Q N -0.851 118.988 119.800 0.064 0.000 2.324 736 Q HA 0.266 4.604 4.340 -0.002 0.000 0.207 736 Q C 0.355 176.445 176.000 0.150 0.000 0.928 736 Q CA -0.328 55.514 55.803 0.065 0.000 0.890 736 Q CB 0.163 28.898 28.738 -0.004 0.000 1.001 736 Q HN 0.450 nan 8.270 nan 0.000 0.517 737 F N 1.739 121.694 119.950 0.009 0.000 2.685 737 F HA 0.058 4.584 4.527 -0.002 0.000 0.349 737 F C 0.114 175.915 175.800 0.001 0.000 1.294 737 F CA -0.541 57.462 58.000 0.004 0.000 1.201 737 F CB 0.152 39.153 39.000 0.002 0.000 1.615 737 F HN 0.173 nan 8.300 nan 0.000 0.674 738 M N 1.492 121.185 119.600 0.155 0.000 2.948 738 M HA 0.301 4.780 4.480 -0.002 0.000 0.278 738 M C -1.551 174.774 176.300 0.042 0.000 1.293 738 M CA -0.603 54.753 55.300 0.093 0.000 0.777 738 M CB 1.657 34.312 32.600 0.092 0.000 1.713 738 M HN 0.047 nan 8.290 nan 0.000 0.444 739 D N -0.956 119.454 120.400 0.018 0.000 2.198 739 D HA 0.387 5.026 4.640 -0.002 0.000 0.247 739 D C 0.204 176.497 176.300 -0.011 0.000 1.010 739 D CA 0.095 54.088 54.000 -0.013 0.000 0.880 739 D CB 1.882 42.653 40.800 -0.048 0.000 1.209 739 D HN 0.488 nan 8.370 nan 0.000 0.451 740 S N 2.461 118.155 115.700 -0.009 0.000 2.447 740 S HA -0.130 4.339 4.470 -0.002 0.000 0.233 740 S C 1.440 175.991 174.600 -0.082 0.000 1.006 740 S CA 1.611 59.824 58.200 0.022 0.000 0.957 740 S CB -0.096 63.140 63.200 0.060 0.000 0.773 740 S HN 0.545 nan 8.310 nan 0.000 0.507 741 K N 0.701 120.946 120.400 -0.260 0.000 2.159 741 K HA 0.197 4.516 4.320 -0.002 0.000 0.210 741 K C 2.181 178.484 176.600 -0.496 0.000 1.026 741 K CA 0.370 56.220 56.287 -0.728 0.000 0.959 741 K CB -0.552 31.535 32.500 -0.688 0.000 0.890 741 K HN 0.088 nan 8.250 nan 0.000 0.459 742 K N 0.568 120.809 120.400 -0.265 0.000 2.242 742 K HA -0.213 4.106 4.320 -0.002 0.000 0.206 742 K C 1.809 178.367 176.600 -0.070 0.000 1.045 742 K CA 1.336 57.528 56.287 -0.157 0.000 0.930 742 K CB -0.241 32.197 32.500 -0.103 0.000 0.726 742 K HN 0.361 nan 8.250 nan 0.000 0.462 743 A N 0.797 123.597 122.820 -0.034 0.000 1.834 743 A HA -0.185 4.134 4.320 -0.002 0.000 0.216 743 A C 2.133 179.808 177.584 0.152 0.000 1.203 743 A CA 2.287 54.363 52.037 0.065 0.000 0.621 743 A CB -1.020 18.033 19.000 0.088 0.000 0.841 743 A HN 0.424 nan 8.150 nan 0.000 0.446 744 S N 0.014 115.852 115.700 0.231 0.000 2.407 744 S HA -0.233 4.235 4.470 -0.002 0.000 0.235 744 S C 1.832 176.657 174.600 0.374 0.000 1.036 744 S CA 1.480 59.941 58.200 0.434 0.000 1.013 744 S CB -0.433 63.117 63.200 0.583 0.000 0.820 744 S HN 0.583 nan 8.310 nan 0.000 0.476 745 E N 1.247 121.597 120.200 0.249 0.000 2.001 745 E HA -0.167 4.182 4.350 -0.002 0.000 0.195 745 E C 2.177 178.886 176.600 0.182 0.000 1.002 745 E CA 1.205 57.713 56.400 0.180 0.000 0.819 745 E CB -0.259 29.357 29.700 -0.140 0.000 0.769 745 E HN 0.283 nan 8.360 nan 0.000 0.454 746 K N 0.956 121.418 120.400 0.103 0.000 2.089 746 K HA -0.174 4.145 4.320 -0.002 0.000 0.210 746 K C 2.273 178.969 176.600 0.161 0.000 1.048 746 K CA 1.038 57.390 56.287 0.108 0.000 0.926 746 K CB -0.595 31.950 32.500 0.076 0.000 0.714 746 K HN 0.077 nan 8.250 nan 0.000 0.448 747 L N 0.108 121.452 121.223 0.201 0.000 1.990 747 L HA -0.214 4.125 4.340 -0.002 0.000 0.213 747 L C 1.760 178.755 176.870 0.208 0.000 1.072 747 L CA 1.388 56.355 54.840 0.213 0.000 0.755 747 L CB -0.233 41.990 42.059 0.274 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.057 121.421 121.223 0.234 0.000 2.651 748 L HA -0.150 4.189 4.340 -0.002 0.000 0.236 748 L C 2.365 179.374 176.870 0.232 0.000 1.173 748 L CA 1.050 55.975 54.840 0.142 0.000 0.843 748 L CB -1.163 40.882 42.059 -0.023 0.000 0.964 748 L HN 0.364 nan 8.230 nan 0.000 0.454 749 G N -0.806 108.151 108.800 0.261 0.000 2.513 749 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.219 749 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.219 749 G C 1.041 176.122 174.900 0.301 0.000 1.160 749 G CA 0.921 46.186 45.100 0.275 0.000 0.767 749 G HN 0.537 nan 8.290 nan 0.000 0.571 750 S N -1.045 114.782 115.700 0.212 0.000 2.681 750 S HA 0.849 5.318 4.470 -0.002 0.000 0.270 750 S C 0.227 174.935 174.600 0.181 0.000 1.209 750 S CA 0.515 58.825 58.200 0.184 0.000 0.988 750 S CB 0.462 nan 63.200 nan 0.000 1.006 750 S HN 2.257 nan 8.310 nan 0.000 0.558 751 I N -0.545 120.120 120.570 0.158 0.000 7.408 751 I HA 0.160 4.329 4.170 -0.002 0.000 0.310 751 I C -0.249 175.980 176.117 0.187 0.000 1.874 751 I CA 0.052 61.431 61.300 0.132 0.000 2.007 751 I CB -1.029 nan 38.000 nan 0.000 3.642 751 I HN 1.204 nan 8.210 nan 0.000 0.217 752 D N 3.251 123.735 120.400 0.139 0.000 2.870 752 D HA 0.495 5.134 4.640 -0.002 0.000 0.241 752 D C 0.198 176.597 176.300 0.164 0.000 1.234 752 D CA 0.751 54.842 54.000 0.152 0.000 0.844 752 D CB 0.101 40.963 40.800 0.104 0.000 1.051 752 D HN 1.748 nan 8.370 nan 0.000 0.469 753 V N -1.786 118.244 119.914 0.194 0.000 2.644 753 V HA 0.291 4.410 4.120 -0.002 0.000 0.295 753 V C 0.737 177.003 176.094 0.286 0.000 1.053 753 V CA -1.127 61.270 62.300 0.161 0.000 0.987 753 V CB 1.456 33.297 31.823 0.030 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.665 122.221 120.400 0.260 0.000 2.349 754 D HA 0.055 4.693 4.640 -0.002 0.000 0.266 754 D C 0.473 177.009 176.300 0.393 0.000 1.293 754 D CA 0.228 54.408 54.000 0.300 0.000 0.926 754 D CB 0.467 41.397 40.800 0.217 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.079 120.291 119.070 0.237 0.000 2.556 755 H HA 0.011 4.566 4.556 -0.002 0.000 0.273 755 H C 1.476 176.570 175.328 -0.390 0.000 1.030 755 H CA 0.411 56.519 56.048 0.100 0.000 1.156 755 H CB 0.336 30.213 29.762 0.193 0.000 1.326 755 H HN 0.258 nan 8.280 nan 0.000 0.609 756 T N -0.227 114.289 114.554 -0.063 0.000 2.914 756 T HA -0.092 4.256 4.350 -0.002 0.000 0.240 756 T C 1.792 176.490 174.700 -0.003 0.000 1.025 756 T CA 0.244 62.320 62.100 -0.040 0.000 1.198 756 T CB 0.033 68.957 68.868 0.093 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.211 121.124 119.800 0.187 0.000 2.480 757 Q HA -0.146 4.193 4.340 -0.002 0.000 0.217 757 Q C 0.263 176.573 176.000 0.517 0.000 0.993 757 Q CA 1.298 57.328 55.803 0.379 0.000 0.908 757 Q CB -0.870 28.084 28.738 0.360 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.972 117.378 120.300 0.083 0.000 2.686 758 Y HA 0.830 5.379 4.550 -0.002 0.000 0.330 758 Y C 0.125 175.711 175.900 -0.524 0.000 1.082 758 Y CA -1.336 56.575 58.100 -0.315 0.000 1.158 758 Y CB 0.758 38.713 38.460 -0.842 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 R N 0.385 120.471 120.500 -0.690 0.000 2.633 759 R HA 0.623 4.962 4.340 -0.002 0.000 0.255 759 R C -2.348 173.608 176.300 -0.573 0.000 1.106 759 R CA -1.006 54.706 56.100 -0.646 0.000 0.959 759 R CB -0.062 29.756 30.300 -0.803 0.000 1.259 759 R HN 0.647 nan 8.270 nan 0.000 0.453 760 F N 0.680 120.489 119.950 -0.236 0.000 2.450 760 F HA 0.957 5.482 4.527 -0.002 0.000 0.328 760 F C 1.340 177.077 175.800 -0.106 0.000 1.068 760 F CA -0.636 57.304 58.000 -0.100 0.000 1.007 760 F CB 2.622 41.651 39.000 0.048 0.000 1.251 760 F HN 0.961 nan 8.300 nan 0.000 0.492 761 G N -1.579 107.367 108.800 0.243 0.000 2.601 761 G HA2 0.284 4.242 3.960 -0.002 0.000 0.291 761 G HA3 0.284 4.242 3.960 -0.002 0.000 0.291 761 G C -0.347 174.712 174.900 0.264 0.000 1.456 761 G CA -0.688 44.472 45.100 0.100 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.652 118.491 119.070 0.121 0.000 2.456 762 H HA -0.205 4.350 4.556 -0.002 0.000 0.288 762 H C 1.814 177.262 175.328 0.200 0.000 1.130 762 H CA 2.025 58.149 56.048 0.127 0.000 1.173 762 H CB -0.037 29.754 29.762 0.049 0.000 1.350 762 H HN 0.373 nan 8.280 nan 0.000 0.498 763 T N -0.698 114.010 114.554 0.256 0.000 2.986 763 T HA 0.156 4.505 4.350 -0.002 0.000 0.264 763 T C 0.263 175.000 174.700 0.062 0.000 0.964 763 T CA -0.105 62.127 62.100 0.220 0.000 0.895 763 T CB 0.803 69.744 68.868 0.123 0.000 1.163 763 T HN 0.438 nan 8.240 nan 0.000 0.517 764 K N -0.054 120.276 120.400 -0.117 0.000 2.672 764 K HA 0.615 4.934 4.320 -0.002 0.000 0.295 764 K C -1.852 174.411 176.600 -0.562 0.000 1.042 764 K CA -0.896 55.021 56.287 -0.616 0.000 0.869 764 K CB 1.050 33.299 32.500 -0.419 0.000 1.541 764 K HN -0.147 nan 8.250 nan 0.000 0.396 765 V N 1.045 120.491 119.914 -0.779 0.000 2.716 765 V HA 0.506 4.625 4.120 -0.002 0.000 0.304 765 V C -0.885 174.866 176.094 -0.572 0.000 1.053 765 V CA -0.519 61.368 62.300 -0.688 0.000 0.984 765 V CB 0.753 31.918 31.823 -1.097 0.000 1.021 765 V HN 0.542 nan 8.190 nan 0.000 0.467 766 F N 2.862 122.363 119.950 -0.747 0.000 2.480 766 F HA 0.739 5.265 4.527 -0.002 0.000 0.329 766 F C -0.389 175.343 175.800 -0.114 0.000 1.091 766 F CA -0.723 57.013 58.000 -0.439 0.000 0.972 766 F CB 1.616 39.430 39.000 -1.978 0.000 1.150 766 F HN 0.225 nan 8.300 nan 0.000 0.467 767 F N 1.972 122.495 119.950 0.955 0.000 2.578 767 F HA 0.445 4.971 4.527 -0.002 0.000 0.311 767 F C 0.207 176.296 175.800 0.481 0.000 1.094 767 F CA -1.232 57.117 58.000 0.580 0.000 0.923 767 F CB 1.848 40.954 39.000 0.177 0.000 1.230 767 F HN 0.262 nan 8.300 nan 0.000 0.450 768 K N 0.932 121.668 120.400 0.560 0.000 2.525 768 K HA 0.699 5.017 4.320 -0.002 0.000 0.262 768 K C 0.035 176.661 176.600 0.044 0.000 1.049 768 K CA -0.461 55.893 56.287 0.112 0.000 0.961 768 K CB 0.439 32.974 32.500 0.058 0.000 1.258 768 K HN 0.690 nan 8.250 nan 0.000 0.501 769 A N -0.595 122.191 122.820 -0.057 0.000 2.296 769 A HA 0.430 4.749 4.320 -0.002 0.000 0.264 769 A C 0.943 178.512 177.584 -0.026 0.000 1.097 769 A CA 0.417 52.417 52.037 -0.063 0.000 0.811 769 A CB -0.513 18.428 19.000 -0.097 0.000 1.072 769 A HN 0.781 nan 8.150 nan 0.000 0.495 770 G N -1.023 107.753 108.800 -0.039 0.000 2.280 770 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.282 770 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.282 770 G C 0.612 175.497 174.900 -0.024 0.000 1.000 770 G CA 1.177 46.259 45.100 -0.030 0.000 0.751 770 G HN 1.068 nan 8.290 nan 0.000 0.515 771 L N -1.195 120.008 121.223 -0.033 0.000 2.185 771 L HA 0.431 4.769 4.340 -0.002 0.000 0.198 771 L C 2.600 179.372 176.870 -0.163 0.000 1.079 771 L CA 1.214 56.027 54.840 -0.044 0.000 0.780 771 L CB -0.402 41.686 42.059 0.049 0.000 0.955 771 L HN 0.148 nan 8.230 nan 0.000 0.462 772 L N 0.359 121.417 121.223 -0.275 0.000 2.129 772 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 772 L C 2.383 179.177 176.870 -0.126 0.000 1.087 772 L CA 2.008 56.650 54.840 -0.329 0.000 0.757 772 L CB -1.561 40.317 42.059 -0.303 0.000 0.896 772 L HN 0.422 nan 8.230 nan 0.000 0.434 773 G N -1.351 107.397 108.800 -0.086 0.000 2.418 773 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.217 773 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.217 773 G C 1.682 176.566 174.900 -0.027 0.000 1.158 773 G CA 0.764 45.839 45.100 -0.042 0.000 0.771 773 G HN 0.318 nan 8.290 nan 0.000 0.545 774 L N -0.266 120.934 121.223 -0.037 0.000 2.027 774 L HA 0.044 4.382 4.340 -0.002 0.000 0.206 774 L C 2.723 179.587 176.870 -0.010 0.000 1.074 774 L CA 0.886 55.716 54.840 -0.017 0.000 0.745 774 L CB -0.420 41.632 42.059 -0.012 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.540 120.655 121.223 -0.046 0.000 1.951 775 L HA -0.296 4.043 4.340 -0.002 0.000 0.222 775 L C 2.602 179.570 176.870 0.163 0.000 1.078 775 L CA 1.768 56.612 54.840 0.007 0.000 0.778 775 L CB -1.301 40.611 42.059 -0.244 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.374 119.939 120.200 0.189 0.000 2.136 776 E HA -0.324 4.024 4.350 -0.002 0.000 0.208 776 E C 2.107 178.717 176.600 0.017 0.000 1.035 776 E CA 1.746 58.191 56.400 0.075 0.000 0.838 776 E CB -0.318 29.397 29.700 0.024 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.168 120.378 120.200 0.017 0.000 2.049 777 E HA -0.222 4.126 4.350 -0.002 0.000 0.198 777 E C 2.229 178.834 176.600 0.007 0.000 1.007 777 E CA 1.601 58.004 56.400 0.004 0.000 0.809 777 E CB -0.165 29.538 29.700 0.004 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.248 119.861 119.600 0.021 0.000 2.108 778 M HA -0.190 4.289 4.480 -0.002 0.000 0.261 778 M C 2.714 179.022 176.300 0.012 0.000 1.066 778 M CA 1.772 57.086 55.300 0.023 0.000 1.107 778 M CB -0.385 32.238 32.600 0.039 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.645 121.153 120.500 0.013 0.000 2.083 779 R HA -0.194 4.145 4.340 -0.002 0.000 0.237 779 R C 1.550 177.822 176.300 -0.047 0.000 1.137 779 R CA 2.134 58.215 56.100 -0.033 0.000 0.951 779 R CB -0.363 29.878 30.300 -0.098 0.000 0.851 779 R HN 0.281 nan 8.270 nan 0.000 0.434 780 D N 0.862 121.238 120.400 -0.040 0.000 2.126 780 D HA -0.184 4.455 4.640 -0.002 0.000 0.190 780 D C 1.546 177.829 176.300 -0.028 0.000 1.001 780 D CA 1.680 55.657 54.000 -0.038 0.000 0.841 780 D CB -0.508 40.275 40.800 -0.030 0.000 0.949 780 D HN 0.291 nan 8.370 nan 0.000 0.446 781 D N 0.319 120.709 120.400 -0.017 0.000 2.149 781 D HA -0.127 4.512 4.640 -0.002 0.000 0.198 781 D C 1.751 178.042 176.300 -0.015 0.000 0.990 781 D CA 0.795 54.788 54.000 -0.012 0.000 0.839 781 D CB -0.178 40.620 40.800 -0.003 0.000 0.948 781 D HN 0.294 nan 8.370 nan 0.000 0.460 782 K N -0.227 120.162 120.400 -0.019 0.000 2.504 782 K HA -0.026 4.292 4.320 -0.002 0.000 0.195 782 K C 1.305 177.888 176.600 -0.030 0.000 1.036 782 K CA 0.252 56.526 56.287 -0.021 0.000 0.984 782 K CB 0.241 32.732 32.500 -0.016 0.000 0.788 782 K HN 0.099 nan 8.250 nan 0.000 0.488 783 L N -0.540 120.662 121.223 -0.036 0.000 2.408 783 L HA 0.133 4.472 4.340 -0.002 0.000 0.215 783 L C 2.139 178.991 176.870 -0.030 0.000 1.081 783 L CA 0.741 55.558 54.840 -0.039 0.000 0.840 783 L CB -0.463 41.565 42.059 -0.052 0.000 1.002 783 L HN -0.006 nan 8.230 nan 0.000 0.468 784 A N -0.223 122.582 122.820 -0.025 0.000 1.883 784 A HA -0.247 4.072 4.320 -0.002 0.000 0.217 784 A C 2.224 179.798 177.584 -0.017 0.000 1.186 784 A CA 1.863 53.888 52.037 -0.019 0.000 0.624 784 A CB -0.473 18.518 19.000 -0.015 0.000 0.822 784 A HN 0.335 nan 8.150 nan 0.000 0.444 785 E N 0.021 120.211 120.200 -0.016 0.000 2.007 785 E HA -0.191 4.158 4.350 -0.002 0.000 0.203 785 E C 1.838 178.428 176.600 -0.017 0.000 1.020 785 E CA 1.615 58.007 56.400 -0.014 0.000 0.845 785 E CB -0.455 29.238 29.700 -0.012 0.000 0.779 785 E HN 0.581 nan 8.360 nan 0.000 0.466 786 I N 0.283 120.840 120.570 -0.022 0.000 2.185 786 I HA -0.326 3.843 4.170 -0.002 0.000 0.246 786 I C 2.362 178.464 176.117 -0.026 0.000 1.088 786 I CA 1.194 62.478 61.300 -0.026 0.000 1.347 786 I CB -0.278 37.702 38.000 -0.032 0.000 1.041 786 I HN 0.206 nan 8.210 nan 0.000 0.415 787 I N -0.093 120.461 120.570 -0.026 0.000 2.188 787 I HA -0.250 3.918 4.170 -0.002 0.000 0.237 787 I C 2.521 178.627 176.117 -0.019 0.000 1.073 787 I CA 1.460 62.745 61.300 -0.025 0.000 1.359 787 I CB -0.454 37.531 38.000 -0.025 0.000 1.083 787 I HN 0.180 nan 8.210 nan 0.000 0.412 788 T N 0.942 115.486 114.554 -0.016 0.000 2.684 788 T HA -0.342 4.007 4.350 -0.002 0.000 0.267 788 T C 2.223 176.918 174.700 -0.009 0.000 1.032 788 T CA 2.459 64.552 62.100 -0.011 0.000 1.155 788 T CB -0.691 68.171 68.868 -0.009 0.000 0.857 788 T HN 0.521 nan 8.240 nan 0.000 0.457 789 R N 0.813 121.306 120.500 -0.012 0.000 2.090 789 R HA 0.013 4.351 4.340 -0.002 0.000 0.228 789 R C 2.548 178.840 176.300 -0.014 0.000 1.110 789 R CA 1.951 58.044 56.100 -0.011 0.000 0.973 789 R CB -1.649 28.643 30.300 -0.012 0.000 0.869 789 R HN 0.487 nan 8.270 nan 0.000 0.440 790 T N 0.616 115.159 114.554 -0.019 0.000 3.055 790 T HA -0.062 4.287 4.350 -0.002 0.000 0.265 790 T C 1.895 176.583 174.700 -0.021 0.000 1.111 790 T CA 1.039 63.123 62.100 -0.026 0.000 1.118 790 T CB -0.005 68.843 68.868 -0.033 0.000 0.909 790 T HN 0.602 nan 8.240 nan 0.000 0.501 791 Q N 0.935 120.727 119.800 -0.013 0.000 1.969 791 Q HA 0.007 4.346 4.340 -0.002 0.000 0.198 791 Q C 2.838 178.842 176.000 0.007 0.000 0.978 791 Q CA 1.253 57.054 55.803 -0.004 0.000 0.830 791 Q CB -0.436 28.300 28.738 -0.003 0.000 0.896 791 Q HN 0.496 nan 8.270 nan 0.000 0.431 792 A N 1.935 124.760 122.820 0.008 0.000 1.887 792 A HA -0.390 3.929 4.320 -0.002 0.000 0.225 792 A C 2.052 179.655 177.584 0.031 0.000 1.464 792 A CA 2.688 54.735 52.037 0.016 0.000 0.717 792 A CB -0.972 18.033 19.000 0.008 0.000 0.848 792 A HN 0.317 nan 8.150 nan 0.000 0.477 793 R N -0.141 120.373 120.500 0.023 0.000 2.112 793 R HA -0.195 4.144 4.340 -0.002 0.000 0.242 793 R C 2.077 178.428 176.300 0.085 0.000 1.137 793 R CA 2.569 58.692 56.100 0.038 0.000 0.944 793 R CB -1.756 28.544 30.300 0.000 0.000 0.857 793 R HN 0.654 nan 8.270 nan 0.000 0.435 794 C N 0.345 119.670 119.300 0.043 0.000 2.359 794 C HA -0.127 4.332 4.460 -0.002 0.000 0.277 794 C C 2.626 177.720 174.990 0.174 0.000 1.192 794 C CA 1.357 60.422 59.018 0.079 0.000 1.759 794 C CB -1.110 26.642 27.740 0.021 0.000 2.038 794 C HN 0.545 nan 8.230 nan 0.000 0.448 795 R N 0.601 121.159 120.500 0.097 0.000 2.115 795 R HA -0.152 4.187 4.340 -0.002 0.000 0.239 795 R C 2.422 178.774 176.300 0.087 0.000 1.133 795 R CA 2.106 58.252 56.100 0.077 0.000 0.935 795 R CB -1.306 29.020 30.300 0.043 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.127 109.979 108.800 0.086 0.000 2.679 796 G HA2 -0.355 3.604 3.960 -0.002 0.000 0.217 796 G HA3 -0.355 3.604 3.960 -0.002 0.000 0.217 796 G C 1.255 176.215 174.900 0.099 0.000 1.267 796 G CA 1.020 46.163 45.100 0.072 0.000 0.799 796 G HN 0.390 nan 8.290 nan 0.000 0.606 797 F N 0.710 120.654 119.950 -0.010 0.000 2.176 797 F HA -0.167 4.359 4.527 -0.002 0.000 0.301 797 F C 2.307 178.107 175.800 -0.001 0.000 1.071 797 F CA 1.523 59.518 58.000 -0.007 0.000 1.289 797 F CB -0.217 38.779 39.000 -0.007 0.000 1.028 797 F HN 0.089 nan 8.300 nan 0.000 0.494 798 L N -0.067 121.235 121.223 0.131 0.000 2.046 798 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 798 L C 2.471 179.262 176.870 -0.132 0.000 1.077 798 L CA 1.855 56.691 54.840 -0.007 0.000 0.747 798 L CB -0.770 41.354 42.059 0.110 0.000 0.896 798 L HN 0.249 nan 8.230 nan 0.000 0.432 799 M N -1.882 117.675 119.600 -0.072 0.000 2.349 799 M HA -0.148 4.330 4.480 -0.002 0.000 0.266 799 M C 2.242 178.487 176.300 -0.092 0.000 1.076 799 M CA 0.897 56.161 55.300 -0.060 0.000 1.126 799 M CB -0.171 32.417 32.600 -0.019 0.000 1.392 799 M HN 0.145 nan 8.290 nan 0.000 0.440 800 R N -0.358 120.047 120.500 -0.159 0.000 2.200 800 R HA -0.108 4.231 4.340 -0.002 0.000 0.234 800 R C 1.676 177.863 176.300 -0.190 0.000 1.127 800 R CA 0.931 56.929 56.100 -0.170 0.000 0.989 800 R CB -0.013 30.177 30.300 -0.183 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.251 119.489 119.914 -0.290 0.000 3.174 801 V HA -0.044 4.075 4.120 -0.002 0.000 0.254 801 V C 1.851 177.881 176.094 -0.107 0.000 1.120 801 V CA 0.872 63.029 62.300 -0.240 0.000 1.114 801 V CB 0.109 31.729 31.823 -0.338 0.000 0.756 801 V HN 0.127 nan 8.190 nan 0.000 0.467 802 E N -0.097 120.057 120.200 -0.077 0.000 2.072 802 E HA -0.169 4.180 4.350 -0.002 0.000 0.190 802 E C 1.962 178.570 176.600 0.014 0.000 0.982 802 E CA 1.153 57.533 56.400 -0.032 0.000 0.803 802 E CB -0.305 29.380 29.700 -0.024 0.000 0.755 802 E HN 0.689 nan 8.360 nan 0.000 0.453 803 Y N 1.270 121.517 120.300 -0.088 0.000 2.165 803 Y HA -0.204 4.345 4.550 -0.002 0.000 0.286 803 Y C 2.444 178.303 175.900 -0.067 0.000 1.155 803 Y CA 2.019 60.077 58.100 -0.070 0.000 1.164 803 Y CB -0.036 38.387 38.460 -0.062 0.000 0.978 803 Y HN -0.078 nan 8.280 nan 0.000 0.513 804 R N -0.289 120.271 120.500 0.100 0.000 2.200 804 R HA -0.177 4.162 4.340 -0.002 0.000 0.234 804 R C 2.513 178.789 176.300 -0.041 0.000 1.127 804 R CA 1.525 57.641 56.100 0.027 0.000 0.989 804 R CB -0.113 30.191 30.300 0.006 0.000 0.869 804 R HN 0.407 nan 8.270 nan 0.000 0.459 805 R N -0.093 120.371 120.500 -0.059 0.000 2.074 805 R HA 0.100 4.439 4.340 -0.002 0.000 0.218 805 R C 2.068 178.301 176.300 -0.112 0.000 1.137 805 R CA 1.157 57.213 56.100 -0.073 0.000 0.998 805 R CB -1.019 29.244 30.300 -0.061 0.000 0.895 805 R HN 0.187 nan 8.270 nan 0.000 0.442 806 M N 0.574 120.089 119.600 -0.142 0.000 2.088 806 M HA -0.207 4.271 4.480 -0.002 0.000 0.256 806 M C 2.402 178.560 176.300 -0.237 0.000 1.071 806 M CA 2.114 57.297 55.300 -0.196 0.000 1.097 806 M CB -0.684 31.765 32.600 -0.252 0.000 1.315 806 M HN 0.189 nan 8.290 nan 0.000 0.406 807 V N 0.216 119.952 119.914 -0.296 0.000 2.287 807 V HA -0.280 3.838 4.120 -0.002 0.000 0.248 807 V C 2.146 178.149 176.094 -0.151 0.000 1.053 807 V CA 2.101 64.242 62.300 -0.267 0.000 1.027 807 V CB -0.695 30.940 31.823 -0.314 0.000 0.646 807 V HN 0.472 nan 8.190 nan 0.000 0.447 808 E N -0.289 119.843 120.200 -0.112 0.000 2.033 808 E HA -0.279 4.070 4.350 -0.002 0.000 0.199 808 E C 2.461 179.011 176.600 -0.083 0.000 1.011 808 E CA 1.684 58.040 56.400 -0.073 0.000 0.815 808 E CB -0.231 29.435 29.700 -0.057 0.000 0.755 808 E HN 0.458 nan 8.360 nan 0.000 0.451 809 R N 0.409 120.845 120.500 -0.107 0.000 2.154 809 R HA -0.189 4.149 4.340 -0.002 0.000 0.248 809 R C 2.367 178.564 176.300 -0.170 0.000 1.155 809 R CA 0.970 56.995 56.100 -0.125 0.000 0.979 809 R CB -0.274 29.940 30.300 -0.143 0.000 0.869 809 R HN 0.128 nan 8.270 nan 0.000 0.452 810 R N 1.166 121.551 120.500 -0.193 0.000 2.227 810 R HA -0.283 4.056 4.340 -0.002 0.000 0.246 810 R C 2.098 178.200 176.300 -0.329 0.000 1.119 810 R CA 2.599 58.541 56.100 -0.263 0.000 0.930 810 R CB -0.350 29.857 30.300 -0.155 0.000 0.912 810 R HN 0.578 nan 8.270 nan 0.000 0.435 811 E N -1.280 118.863 120.200 -0.094 0.000 2.086 811 E HA -0.017 4.332 4.350 -0.002 0.000 0.190 811 E C 1.891 178.505 176.600 0.024 0.000 0.975 811 E CA 0.900 57.342 56.400 0.071 0.000 0.813 811 E CB -0.332 29.468 29.700 0.166 0.000 0.768 811 E HN 0.091 nan 8.360 nan 0.000 0.457 812 S N 1.028 116.711 115.700 -0.028 0.000 2.440 812 S HA -0.124 4.345 4.470 -0.002 0.000 0.240 812 S C 1.887 176.457 174.600 -0.050 0.000 1.014 812 S CA 1.082 59.268 58.200 -0.023 0.000 0.980 812 S CB -0.329 62.852 63.200 -0.032 0.000 0.775 812 S HN 0.286 nan 8.310 nan 0.000 0.499 813 I N -0.004 120.484 120.570 -0.138 0.000 2.141 813 I HA -0.147 4.021 4.170 -0.002 0.000 0.236 813 I C 1.903 177.948 176.117 -0.119 0.000 1.071 813 I CA 1.116 62.308 61.300 -0.180 0.000 1.345 813 I CB -0.577 37.230 38.000 -0.320 0.000 1.066 813 I HN 0.205 nan 8.210 nan 0.000 0.406 814 F N 1.146 121.001 119.950 -0.158 0.000 2.063 814 F HA -0.387 4.139 4.527 -0.002 0.000 0.297 814 F C 2.969 178.666 175.800 -0.173 0.000 1.099 814 F CA 1.704 59.540 58.000 -0.274 0.000 1.220 814 F CB -1.492 37.418 39.000 -0.149 0.000 0.972 814 F HN 0.301 nan 8.300 nan 0.000 0.487 815 C N 0.880 120.295 119.300 0.192 0.000 2.393 815 C HA -0.219 4.239 4.460 -0.002 0.000 0.276 815 C C 2.907 177.954 174.990 0.095 0.000 1.215 815 C CA 1.290 60.397 59.018 0.149 0.000 1.743 815 C CB -1.332 26.470 27.740 0.102 0.000 2.044 815 C HN 0.431 nan 8.230 nan 0.000 0.464 816 I N 0.078 120.671 120.570 0.039 0.000 2.202 816 I HA -0.204 3.965 4.170 -0.002 0.000 0.242 816 I C 2.714 178.841 176.117 0.016 0.000 1.091 816 I CA 1.696 63.005 61.300 0.015 0.000 1.368 816 I CB -1.334 36.655 38.000 -0.018 0.000 1.058 816 I HN 0.556 nan 8.210 nan 0.000 0.410 817 Q N 0.404 120.184 119.800 -0.035 0.000 1.935 817 Q HA -0.260 4.079 4.340 -0.002 0.000 0.212 817 Q C 2.354 178.359 176.000 0.008 0.000 1.008 817 Q CA 2.401 58.155 55.803 -0.082 0.000 0.868 817 Q CB -0.367 28.240 28.738 -0.218 0.000 0.946 817 Q HN 0.369 nan 8.270 nan 0.000 0.418 818 Y N 0.953 121.315 120.300 0.104 0.000 2.081 818 Y HA -0.290 4.259 4.550 -0.002 0.000 0.280 818 Y C 2.154 178.095 175.900 0.068 0.000 1.163 818 Y CA 1.110 59.252 58.100 0.069 0.000 1.135 818 Y CB -0.921 37.566 38.460 0.044 0.000 0.970 818 Y HN 0.273 nan 8.280 nan 0.000 0.498 819 N N 0.107 118.947 118.700 0.234 0.000 2.133 819 N HA -0.196 4.542 4.740 -0.002 0.000 0.193 819 N C 1.899 177.502 175.510 0.155 0.000 1.012 819 N CA 1.766 54.913 53.050 0.162 0.000 0.871 819 N CB -0.335 38.221 38.487 0.115 0.000 1.011 819 N HN 0.209 nan 8.380 nan 0.000 0.435 820 V N 1.262 121.258 119.914 0.138 0.000 2.283 820 V HA -0.139 3.980 4.120 -0.002 0.000 0.243 820 V C 2.418 178.646 176.094 0.222 0.000 1.039 820 V CA 1.226 63.617 62.300 0.151 0.000 1.016 820 V CB -0.354 31.530 31.823 0.101 0.000 0.650 820 V HN 0.268 nan 8.190 nan 0.000 0.449 821 R N -0.153 120.453 120.500 0.177 0.000 2.134 821 R HA -0.227 4.111 4.340 -0.002 0.000 0.248 821 R C 2.593 178.980 176.300 0.145 0.000 1.143 821 R CA 1.951 58.145 56.100 0.156 0.000 0.957 821 R CB -0.701 29.695 30.300 0.160 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.473 116.268 115.700 0.159 0.000 2.427 822 S HA -0.248 4.221 4.470 -0.002 0.000 0.231 822 S C 1.544 176.237 174.600 0.154 0.000 1.045 822 S CA 1.826 60.105 58.200 0.130 0.000 1.154 822 S CB -0.539 62.759 63.200 0.164 0.000 1.093 822 S HN 0.381 nan 8.310 nan 0.000 0.422 823 F N 2.039 122.039 119.950 0.084 0.000 2.085 823 F HA -0.238 4.287 4.527 -0.002 0.000 0.299 823 F C 2.223 178.069 175.800 0.076 0.000 1.096 823 F CA 1.854 59.917 58.000 0.105 0.000 1.227 823 F CB -0.353 38.707 39.000 0.101 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.154 119.436 119.600 -0.016 0.000 2.346 824 M HA -0.213 4.265 4.480 -0.002 0.000 0.263 824 M C 1.458 177.674 176.300 -0.141 0.000 1.064 824 M CA 1.517 56.737 55.300 -0.132 0.000 1.083 824 M CB -1.101 31.528 32.600 0.049 0.000 1.399 824 M HN 0.288 nan 8.290 nan 0.000 0.435 825 N N -0.448 118.203 118.700 -0.082 0.000 2.368 825 N HA -0.010 4.729 4.740 -0.002 0.000 0.178 825 N C 1.709 177.189 175.510 -0.050 0.000 1.021 825 N CA 0.645 53.666 53.050 -0.050 0.000 0.875 825 N CB 0.121 38.577 38.487 -0.052 0.000 1.020 825 N HN 0.013 nan 8.380 nan 0.000 0.433 826 V N 2.237 122.112 119.914 -0.065 0.000 2.283 826 V HA -0.217 3.902 4.120 -0.002 0.000 0.243 826 V C 2.095 178.231 176.094 0.070 0.000 1.039 826 V CA 1.724 64.039 62.300 0.026 0.000 1.016 826 V CB -0.671 31.198 31.823 0.076 0.000 0.650 826 V HN 0.454 nan 8.190 nan 0.000 0.449 827 K N -0.454 119.848 120.400 -0.162 0.000 2.385 827 K HA -0.297 4.022 4.320 -0.002 0.000 0.202 827 K C 1.730 178.299 176.600 -0.051 0.000 1.044 827 K CA 2.329 58.503 56.287 -0.188 0.000 0.933 827 K CB -0.412 31.624 32.500 -0.773 0.000 0.744 827 K HN 0.521 nan 8.250 nan 0.000 0.479 828 H N -1.665 117.424 119.070 0.032 0.000 2.575 828 H HA 0.076 4.631 4.556 -0.002 0.000 0.267 828 H C -0.576 174.853 175.328 0.168 0.000 0.966 828 H CA -0.200 55.892 56.048 0.073 0.000 1.165 828 H CB -0.065 29.719 29.762 0.037 0.000 1.433 828 H HN 0.281 nan 8.280 nan 0.000 0.544 829 W N 4.050 125.408 121.300 0.097 0.000 2.388 829 W HA 0.195 4.853 4.660 -0.002 0.000 0.308 829 W C -1.610 174.944 176.519 0.058 0.000 1.263 829 W CA -3.027 54.368 57.345 0.083 0.000 1.286 829 W CB 0.735 30.242 29.460 0.079 0.000 1.294 829 W HN 0.017 nan 8.180 nan 0.000 0.493 830 P HA -0.318 nan 4.420 nan 0.000 0.221 830 P C 1.182 178.138 177.300 -0.573 0.000 1.160 830 P CA 2.789 65.638 63.100 -0.419 0.000 0.933 830 P CB -0.224 31.127 31.700 -0.583 0.000 0.793 831 W N -1.478 119.299 121.300 -0.871 0.000 2.342 831 W HA -0.083 4.576 4.660 -0.002 0.000 0.297 831 W C 2.753 178.940 176.519 -0.554 0.000 1.213 831 W CA 0.755 57.571 57.345 -0.881 0.000 1.251 831 W CB -1.006 27.445 29.460 -1.682 0.000 1.136 831 W HN -0.050 nan 8.180 nan 0.000 0.526 832 M N 0.515 119.989 119.600 -0.211 0.000 2.288 832 M HA -0.098 4.381 4.480 -0.002 0.000 0.266 832 M C 1.956 178.097 176.300 -0.266 0.000 1.072 832 M CA 1.530 56.748 55.300 -0.137 0.000 1.132 832 M CB -0.175 32.445 32.600 0.034 0.000 1.386 832 M HN -0.212 nan 8.290 nan 0.000 0.432 833 K N -0.076 120.292 120.400 -0.053 0.000 2.097 833 K HA -0.160 4.158 4.320 -0.002 0.000 0.206 833 K C 1.986 178.632 176.600 0.078 0.000 1.049 833 K CA 1.370 57.720 56.287 0.105 0.000 0.933 833 K CB -0.805 31.745 32.500 0.083 0.000 0.717 833 K HN 0.341 nan 8.250 nan 0.000 0.442 834 L N 0.839 122.038 121.223 -0.041 0.000 1.970 834 L HA -0.215 4.124 4.340 -0.002 0.000 0.212 834 L C 2.432 179.361 176.870 0.097 0.000 1.071 834 L CA 1.474 56.299 54.840 -0.026 0.000 0.751 834 L CB -0.461 41.513 42.059 -0.142 0.000 0.889 834 L HN 0.033 nan 8.230 nan 0.000 0.432 835 F N -0.592 119.305 119.950 -0.088 0.000 2.147 835 F HA -0.311 4.215 4.527 -0.002 0.000 0.301 835 F C 1.964 177.818 175.800 0.091 0.000 1.084 835 F CA 1.418 59.391 58.000 -0.045 0.000 1.268 835 F CB -0.470 38.420 39.000 -0.183 0.000 1.009 835 F HN 0.070 nan 8.300 nan 0.000 0.486 836 F N 1.095 121.106 119.950 0.101 0.000 2.060 836 F HA -0.153 4.373 4.527 -0.002 0.000 0.295 836 F C 2.379 178.139 175.800 -0.065 0.000 1.120 836 F CA 1.550 59.536 58.000 -0.023 0.000 1.205 836 F CB -1.338 37.707 39.000 0.075 0.000 0.986 836 F HN -0.076 nan 8.300 nan 0.000 0.470 837 K N 0.026 120.532 120.400 0.177 0.000 2.097 837 K HA -0.152 4.167 4.320 -0.002 0.000 0.206 837 K C 2.226 178.842 176.600 0.026 0.000 1.049 837 K CA 1.517 57.848 56.287 0.074 0.000 0.933 837 K CB -0.613 31.917 32.500 0.050 0.000 0.717 837 K HN 0.302 nan 8.250 nan 0.000 0.442 838 I N 1.497 122.079 120.570 0.021 0.000 2.406 838 I HA -0.200 3.969 4.170 -0.002 0.000 0.249 838 I C 2.484 178.559 176.117 -0.071 0.000 1.122 838 I CA 0.733 62.029 61.300 -0.008 0.000 1.431 838 I CB -0.035 37.985 38.000 0.032 0.000 1.087 838 I HN 0.102 nan 8.210 nan 0.000 0.424 839 K N 0.958 121.242 120.400 -0.193 0.000 2.304 839 K HA -0.205 4.113 4.320 -0.002 0.000 0.204 839 K C -0.944 175.571 176.600 -0.140 0.000 1.044 839 K CA 1.571 57.673 56.287 -0.308 0.000 0.932 839 K CB -0.509 31.743 32.500 -0.413 0.000 0.735 839 K HN 0.292 nan 8.250 nan 0.000 0.468 840 P HA -0.040 nan 4.420 nan 0.000 0.216 840 P C 0.961 178.242 177.300 -0.032 0.000 1.154 840 P CA 0.618 63.688 63.100 -0.050 0.000 0.857 840 P CB 0.049 31.727 31.700 -0.037 0.000 0.787 841 L N -1.411 119.798 121.223 -0.023 0.000 2.450 841 L HA -0.148 4.191 4.340 -0.002 0.000 0.225 841 L C 1.164 178.031 176.870 -0.005 0.000 1.145 841 L CA 1.208 56.041 54.840 -0.010 0.000 0.801 841 L CB -1.505 40.553 42.059 -0.003 0.000 0.924 841 L HN -0.042 nan 8.230 nan 0.000 0.447 842 L N -0.836 120.380 121.223 -0.011 0.000 2.479 842 L HA 0.285 4.624 4.340 -0.002 0.000 0.248 842 L C 0.564 177.435 176.870 0.001 0.000 1.205 842 L CA 0.080 54.920 54.840 0.001 0.000 0.817 842 L CB 0.314 42.373 42.059 -0.000 0.000 1.162 842 L HN 0.235 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.406 120.400 0.011 0.000 2.780 843 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 843 K CA 0.000 56.293 56.287 0.010 0.000 0.838 843 K CB 0.000 32.506 32.500 0.009 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543