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 3m5p_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAXLFcDDSK KYLKEQNINL KNEFDKDDKR VEKFSLKHQN IYFDYSKNLI DATA SEQUENCE NDYILKSLLE SAEKSSLKDK IKQXFNGAKI NSTEHRAVLH TALRDLSSTP DATA SEQUENCE LIVDGQDIRQ EVTKEKQRVK ELVEKVVSGR WRGFSGKKIT DIVNIGIGGS DATA SEQUENCE DLGPKXVVRA LQPYHCTDLK VHFVSNVDAD SLLQALHVVD PETTLLIIAS DATA SEQUENCE KSFSTEETLL NSISAREWLL DHYEDEKAVA NHFVAISSKL DKVKEFGIDL DATA SEQUENCE EHCYKXWDWV GGRYSLWSSI GXSIAFAIGY DNFEKLLAGA YSVDKHFKET DATA SEQUENCE EFSKNIPVIX ALLASYYScT YNSQSQALLP YDERLCYFVD YLQQADXESN DATA SEQUENCE GKSVNIAGET VNYQTGVVLW GGVGTNGQHA FHQLLHQGNI FIPVDFIAIA DATA SEQUENCE TSHHNYDNHQ QALLANCFAQ SQALXFGQSY DXVYNELLKS GLNETQAKEL DATA SEQUENCE AAHKVIPGNR PSTTILLDEL SPYSLGALIA LYEHKIFVQG VLWDINSYDQ DATA SEQUENCE WGVELGKKLG KNILKAXNDD SSDEYQNLDD STRQLIAKVK NK 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 -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.546 175.510 0.059 0.000 1.280 -1 N CA 0.000 53.083 53.050 0.056 0.000 0.885 -1 N CB 0.000 38.514 38.487 0.044 0.000 1.341 3 F N 3.854 123.702 119.950 -0.169 0.000 2.118 3 F HA 0.107 4.634 4.527 0.001 0.000 0.293 3 F C 1.359 177.099 175.800 -0.100 0.000 1.102 3 F CA 1.538 59.461 58.000 -0.128 0.000 1.247 3 F CB 0.229 39.149 39.000 -0.134 0.000 1.017 3 F HN 0.568 nan 8.300 nan 0.000 0.475 4 c N 4.044 122.584 118.600 -0.100 0.000 2.262 4 c HA 0.249 4.820 4.570 0.001 0.000 0.413 4 c C -0.261 173.758 174.090 -0.120 0.000 1.019 4 c CA -0.755 55.508 56.329 -0.111 0.000 1.320 4 c CB -2.874 39.683 42.510 0.077 0.000 1.657 4 c HN 0.543 nan 8.230 nan 0.000 0.510 5 D N 1.951 122.247 120.400 -0.172 0.000 2.525 5 D HA 0.297 4.937 4.640 0.001 0.000 0.249 5 D C 0.620 176.858 176.300 -0.103 0.000 1.072 5 D CA -0.599 53.339 54.000 -0.104 0.000 1.067 5 D CB 0.397 41.142 40.800 -0.092 0.000 1.282 5 D HN 0.161 nan 8.370 nan 0.000 0.587 6 D N -0.529 119.835 120.400 -0.061 0.000 2.144 6 D HA -0.179 4.462 4.640 0.001 0.000 0.199 6 D C 1.813 178.113 176.300 -0.000 0.000 0.984 6 D CA 1.638 55.592 54.000 -0.076 0.000 0.834 6 D CB -0.385 40.431 40.800 0.026 0.000 0.955 6 D HN 0.389 nan 8.370 nan 0.000 0.465 7 S N 0.349 116.082 115.700 0.055 0.000 2.365 7 S HA -0.207 4.264 4.470 0.001 0.000 0.225 7 S C 1.818 176.426 174.600 0.013 0.000 1.039 7 S CA 1.202 59.453 58.200 0.084 0.000 1.033 7 S CB -0.005 63.194 63.200 -0.002 0.000 0.887 7 S HN 0.008 nan 8.310 nan 0.000 0.447 8 K N 1.553 121.894 120.400 -0.098 0.000 2.057 8 K HA -0.019 4.301 4.320 0.001 0.000 0.207 8 K C 2.185 178.761 176.600 -0.041 0.000 1.049 8 K CA 1.307 57.539 56.287 -0.090 0.000 0.931 8 K CB -0.522 31.860 32.500 -0.196 0.000 0.714 8 K HN 0.560 nan 8.250 nan 0.000 0.440 9 K N -0.066 120.247 120.400 -0.145 0.000 2.152 9 K HA -0.144 4.176 4.320 0.001 0.000 0.206 9 K C 2.241 178.708 176.600 -0.220 0.000 1.048 9 K CA 1.331 57.469 56.287 -0.249 0.000 0.933 9 K CB -0.275 32.014 32.500 -0.353 0.000 0.721 9 K HN 0.306 nan 8.250 nan 0.000 0.447 10 Y N 1.084 121.358 120.300 -0.042 0.000 2.475 10 Y HA 0.026 4.576 4.550 0.001 0.000 0.289 10 Y C 2.174 178.092 175.900 0.030 0.000 1.121 10 Y CA -0.047 58.048 58.100 -0.009 0.000 1.257 10 Y CB -0.054 38.411 38.460 0.010 0.000 1.026 10 Y HN -0.081 nan 8.280 nan 0.000 0.555 11 L N 0.489 121.813 121.223 0.168 0.000 2.127 11 L HA -0.292 4.049 4.340 0.001 0.000 0.211 11 L C 2.516 179.494 176.870 0.181 0.000 1.089 11 L CA 1.525 56.441 54.840 0.127 0.000 0.757 11 L CB -0.453 41.613 42.059 0.012 0.000 0.899 11 L HN 0.201 nan 8.230 nan 0.000 0.434 12 K N 0.324 120.802 120.400 0.130 0.000 2.152 12 K HA -0.200 4.121 4.320 0.001 0.000 0.206 12 K C 1.602 178.250 176.600 0.081 0.000 1.048 12 K CA 1.250 57.558 56.287 0.035 0.000 0.933 12 K CB 0.085 32.419 32.500 -0.277 0.000 0.721 12 K HN 0.304 nan 8.250 nan 0.000 0.447 13 E N 0.650 120.915 120.200 0.109 0.000 2.516 13 E HA -0.119 4.231 4.350 0.001 0.000 0.199 13 E C 1.607 178.285 176.600 0.129 0.000 1.069 13 E CA 0.368 56.839 56.400 0.119 0.000 0.876 13 E CB 0.171 29.962 29.700 0.151 0.000 0.843 13 E HN 0.421 nan 8.360 nan 0.000 0.530 14 Q N 0.662 120.560 119.800 0.162 0.000 2.291 14 Q HA -0.127 4.213 4.340 0.001 0.000 0.206 14 Q C 0.387 176.468 176.000 0.135 0.000 0.976 14 Q CA 0.325 56.223 55.803 0.158 0.000 0.875 14 Q CB -0.412 28.450 28.738 0.208 0.000 0.927 14 Q HN 0.204 nan 8.270 nan 0.000 0.450 15 N N 0.485 119.272 118.700 0.144 0.000 2.688 15 N HA -0.168 4.572 4.740 0.001 0.000 0.258 15 N C -0.930 174.664 175.510 0.140 0.000 1.016 15 N CA 0.147 53.281 53.050 0.140 0.000 0.747 15 N CB -0.907 37.643 38.487 0.105 0.000 0.895 15 N HN 0.134 nan 8.380 nan 0.000 0.543 16 I N 0.635 121.307 120.570 0.170 0.000 2.752 16 I HA -0.035 4.136 4.170 0.001 0.000 0.289 16 I C 1.067 177.263 176.117 0.132 0.000 1.197 16 I CA 0.578 61.967 61.300 0.148 0.000 1.432 16 I CB 0.113 38.214 38.000 0.167 0.000 1.359 16 I HN 0.368 nan 8.210 nan 0.000 0.571 17 N N 7.112 125.873 118.700 0.100 0.000 2.479 17 N HA 0.230 4.971 4.740 0.001 0.000 0.261 17 N C 0.764 176.318 175.510 0.073 0.000 0.979 17 N CA -0.433 52.664 53.050 0.080 0.000 0.930 17 N CB 1.332 39.859 38.487 0.066 0.000 1.172 17 N HN 0.477 nan 8.380 nan 0.000 0.499 18 L N 3.142 124.404 121.223 0.066 0.000 2.012 18 L HA -0.179 4.161 4.340 0.001 0.000 0.210 18 L C 2.485 179.421 176.870 0.110 0.000 1.073 18 L CA 1.324 56.232 54.840 0.113 0.000 0.748 18 L CB -0.271 41.827 42.059 0.063 0.000 0.891 18 L HN 0.569 nan 8.230 nan 0.000 0.431 19 K N 0.315 120.661 120.400 -0.091 0.000 2.032 19 K HA -0.219 4.101 4.320 0.001 0.000 0.209 19 K C 1.946 178.574 176.600 0.047 0.000 1.048 19 K CA 1.868 58.065 56.287 -0.150 0.000 0.927 19 K CB -0.032 32.356 32.500 -0.187 0.000 0.712 19 K HN 0.244 nan 8.250 nan 0.000 0.441 20 N N 0.940 119.673 118.700 0.056 0.000 2.166 20 N HA -0.132 4.608 4.740 0.001 0.000 0.186 20 N C 1.554 177.112 175.510 0.080 0.000 1.019 20 N CA 1.129 54.222 53.050 0.071 0.000 0.856 20 N CB -0.160 38.362 38.487 0.059 0.000 0.993 20 N HN 0.294 nan 8.380 nan 0.000 0.426 21 E N 0.069 120.319 120.200 0.084 0.000 2.072 21 E HA -0.076 4.274 4.350 0.001 0.000 0.191 21 E C 1.859 178.449 176.600 -0.017 0.000 0.985 21 E CA 0.660 57.074 56.400 0.023 0.000 0.801 21 E CB -0.415 29.275 29.700 -0.018 0.000 0.750 21 E HN 0.389 nan 8.360 nan 0.000 0.452 22 F N 1.395 121.353 119.950 0.013 0.000 2.234 22 F HA -0.139 4.388 4.527 0.001 0.000 0.299 22 F C 2.263 178.082 175.800 0.033 0.000 1.087 22 F CA 1.208 59.221 58.000 0.022 0.000 1.340 22 F CB -0.111 38.892 39.000 0.006 0.000 1.031 22 F HN -0.005 nan 8.300 nan 0.000 0.500 23 D N 0.563 121.083 120.400 0.200 0.000 2.117 23 D HA -0.182 4.458 4.640 0.001 0.000 0.198 23 D C 2.047 178.398 176.300 0.085 0.000 0.982 23 D CA 1.449 55.530 54.000 0.135 0.000 0.828 23 D CB -0.098 40.770 40.800 0.113 0.000 0.967 23 D HN 0.360 nan 8.370 nan 0.000 0.464 24 K N -1.097 119.340 120.400 0.061 0.000 2.334 24 K HA 0.014 4.335 4.320 0.001 0.000 0.195 24 K C -0.054 176.553 176.600 0.011 0.000 1.045 24 K CA 0.084 56.392 56.287 0.034 0.000 1.004 24 K CB 0.379 32.898 32.500 0.031 0.000 0.837 24 K HN -0.108 nan 8.250 nan 0.000 0.510 25 D N 1.815 122.209 120.400 -0.010 0.000 2.473 25 D HA 0.110 4.751 4.640 0.001 0.000 0.226 25 D C -0.414 175.854 176.300 -0.055 0.000 1.089 25 D CA -0.430 53.541 54.000 -0.048 0.000 0.883 25 D CB 1.307 42.058 40.800 -0.082 0.000 1.029 25 D HN -0.008 nan 8.370 nan 0.000 0.517 26 D N 2.226 122.609 120.400 -0.029 0.000 2.350 26 D HA -0.068 4.573 4.640 0.001 0.000 0.216 26 D C 0.817 177.092 176.300 -0.042 0.000 0.968 26 D CA 0.826 54.818 54.000 -0.014 0.000 0.894 26 D CB 0.376 41.173 40.800 -0.005 0.000 0.909 26 D HN 0.475 nan 8.370 nan 0.000 0.520 27 K N -0.225 120.124 120.400 -0.086 0.000 2.399 27 K HA 0.193 4.513 4.320 0.001 0.000 0.204 27 K C 1.566 178.041 176.600 -0.209 0.000 1.023 27 K CA -0.297 55.917 56.287 -0.122 0.000 1.127 27 K CB 1.002 33.426 32.500 -0.126 0.000 0.856 27 K HN -0.080 nan 8.250 nan 0.000 0.514 28 R N 1.152 121.516 120.500 -0.227 0.000 2.096 28 R HA -0.144 4.196 4.340 0.001 0.000 0.240 28 R C 1.792 177.926 176.300 -0.277 0.000 1.139 28 R CA 1.534 57.437 56.100 -0.328 0.000 0.952 28 R CB -0.214 29.755 30.300 -0.553 0.000 0.854 28 R HN -0.019 nan 8.270 nan 0.000 0.436 29 V N 0.750 120.581 119.914 -0.137 0.000 2.358 29 V HA -0.192 3.928 4.120 0.001 0.000 0.246 29 V C 2.273 178.321 176.094 -0.076 0.000 1.047 29 V CA 2.104 64.388 62.300 -0.027 0.000 1.035 29 V CB -0.536 31.351 31.823 0.107 0.000 0.658 29 V HN 0.476 nan 8.190 nan 0.000 0.452 30 E N 0.318 120.461 120.200 -0.095 0.000 2.110 30 E HA -0.257 4.093 4.350 0.001 0.000 0.193 30 E C 2.236 178.730 176.600 -0.176 0.000 0.988 30 E CA 1.383 57.733 56.400 -0.084 0.000 0.804 30 E CB -0.008 29.648 29.700 -0.073 0.000 0.745 30 E HN 0.576 nan 8.360 nan 0.000 0.458 31 K N -0.633 119.537 120.400 -0.382 0.000 2.097 31 K HA -0.090 4.230 4.320 0.001 0.000 0.205 31 K C 0.470 176.684 176.600 -0.644 0.000 1.050 31 K CA 0.855 56.760 56.287 -0.637 0.000 0.938 31 K CB 0.079 31.874 32.500 -1.175 0.000 0.718 31 K HN 0.117 nan 8.250 nan 0.000 0.442 32 F N 0.816 120.564 119.950 -0.335 0.000 2.928 32 F HA 0.220 4.747 4.527 0.001 0.000 0.337 32 F C -0.106 175.134 175.800 -0.934 0.000 1.259 32 F CA -0.885 56.559 58.000 -0.927 0.000 1.267 32 F CB 0.217 38.670 39.000 -0.912 0.000 0.986 32 F HN -0.189 nan 8.300 nan 0.000 0.507 33 S N -0.218 115.364 115.700 -0.198 0.000 2.588 33 S HA 0.928 5.398 4.470 0.001 0.000 0.275 33 S C -1.191 173.560 174.600 0.251 0.000 1.130 33 S CA -0.757 57.446 58.200 0.004 0.000 0.855 33 S CB 2.491 65.678 63.200 -0.021 0.000 1.116 33 S HN 0.123 nan 8.310 nan 0.000 0.472 34 L N 0.543 121.969 121.223 0.339 0.000 2.415 34 L HA 0.661 5.002 4.340 0.001 0.000 0.256 34 L C -0.931 176.150 176.870 0.352 0.000 1.010 34 L CA -0.833 54.226 54.840 0.364 0.000 0.826 34 L CB 2.562 44.874 42.059 0.422 0.000 1.405 34 L HN 0.705 nan 8.230 nan 0.000 0.410 35 K N 0.284 120.865 120.400 0.302 0.000 2.378 35 K HA 0.536 4.856 4.320 0.001 0.000 0.252 35 K C -1.530 175.198 176.600 0.214 0.000 0.931 35 K CA -0.902 55.553 56.287 0.279 0.000 0.794 35 K CB 2.375 35.016 32.500 0.236 0.000 1.181 35 K HN 0.488 nan 8.250 nan 0.000 0.425 36 H N 2.806 121.913 119.070 0.061 0.000 2.970 36 H HA 0.159 4.715 4.556 0.001 0.000 0.315 36 H C -0.215 175.144 175.328 0.051 0.000 0.992 36 H CA 0.083 56.116 56.048 -0.025 0.000 1.363 36 H CB 0.363 29.972 29.762 -0.255 0.000 1.532 36 H HN 0.770 nan 8.280 nan 0.000 0.514 37 Q N 2.176 121.769 119.800 -0.344 0.000 1.918 37 Q HA -0.337 4.004 4.340 0.001 0.000 0.390 37 Q C -0.164 175.802 176.000 -0.057 0.000 0.761 37 Q CA 1.844 57.504 55.803 -0.240 0.000 0.885 37 Q CB -0.981 27.547 28.738 -0.350 0.000 3.219 37 Q HN 0.749 nan 8.270 nan 0.000 0.778 38 N N 0.933 119.634 118.700 0.002 0.000 2.376 38 N HA 0.327 5.067 4.740 0.001 0.000 0.249 38 N C -0.671 174.917 175.510 0.130 0.000 1.140 38 N CA 0.313 53.403 53.050 0.067 0.000 0.870 38 N CB 0.258 38.780 38.487 0.060 0.000 1.124 38 N HN 0.231 nan 8.380 nan 0.000 0.505 39 I N 0.973 121.636 120.570 0.154 0.000 2.378 39 I HA 0.191 4.362 4.170 0.001 0.000 0.291 39 I C -0.914 175.381 176.117 0.298 0.000 0.992 39 I CA -0.973 60.461 61.300 0.223 0.000 1.154 39 I CB 1.325 39.456 38.000 0.219 0.000 1.315 39 I HN -0.020 nan 8.210 nan 0.000 0.448 40 Y N 7.745 128.148 120.300 0.172 0.000 2.331 40 Y HA 0.409 4.959 4.550 0.001 0.000 0.338 40 Y C -1.352 174.704 175.900 0.260 0.000 0.976 40 Y CA -1.368 56.842 58.100 0.183 0.000 1.137 40 Y CB 1.105 39.637 38.460 0.120 0.000 1.172 40 Y HN 0.403 nan 8.280 nan 0.000 0.478 41 F N 7.336 127.176 119.950 -0.183 0.000 2.308 41 F HA 0.339 4.866 4.527 0.001 0.000 0.370 41 F C -0.904 174.724 175.800 -0.287 0.000 1.100 41 F CA -0.851 57.061 58.000 -0.146 0.000 1.108 41 F CB 0.387 39.402 39.000 0.024 0.000 1.293 41 F HN 0.513 nan 8.300 nan 0.000 0.478 42 D N 5.573 125.532 120.400 -0.735 0.000 2.454 42 D HA 0.113 4.754 4.640 0.001 0.000 0.225 42 D C -0.250 175.788 176.300 -0.436 0.000 1.081 42 D CA -0.366 53.272 54.000 -0.603 0.000 0.864 42 D CB 0.311 40.799 40.800 -0.520 0.000 1.040 42 D HN 0.573 nan 8.370 nan 0.000 0.517 43 Y N 1.587 121.601 120.300 -0.477 0.000 2.607 43 Y HA 0.232 4.782 4.550 0.001 0.000 0.266 43 Y C 1.501 177.361 175.900 -0.067 0.000 1.178 43 Y CA -0.180 57.733 58.100 -0.312 0.000 1.226 43 Y CB -0.202 38.057 38.460 -0.335 0.000 1.144 43 Y HN 0.211 nan 8.280 nan 0.000 0.528 44 S N 0.333 115.953 115.700 -0.133 0.000 2.453 44 S HA -0.072 4.398 4.470 0.001 0.000 0.231 44 S C 1.220 175.939 174.600 0.198 0.000 1.005 44 S CA 0.398 58.602 58.200 0.007 0.000 0.949 44 S CB -0.286 62.991 63.200 0.128 0.000 0.774 44 S HN 0.553 nan 8.310 nan 0.000 0.510 45 K N 1.544 122.066 120.400 0.204 0.000 2.504 45 K HA 0.224 4.544 4.320 0.001 0.000 0.199 45 K C -0.116 176.575 176.600 0.152 0.000 1.028 45 K CA -0.174 56.237 56.287 0.206 0.000 1.164 45 K CB -0.112 32.446 32.500 0.097 0.000 0.877 45 K HN 0.396 nan 8.250 nan 0.000 0.508 46 N N 1.153 119.937 118.700 0.140 0.000 2.493 46 N HA 0.136 4.877 4.740 0.001 0.000 0.275 46 N C 0.022 175.643 175.510 0.185 0.000 1.186 46 N CA -0.211 52.969 53.050 0.217 0.000 0.978 46 N CB 1.029 39.674 38.487 0.264 0.000 1.184 46 N HN 0.021 nan 8.380 nan 0.000 0.487 47 L N 2.930 124.356 121.223 0.338 0.000 2.437 47 L HA 0.267 4.608 4.340 0.001 0.000 0.243 47 L C 0.323 177.339 176.870 0.244 0.000 1.346 47 L CA 0.023 55.053 54.840 0.316 0.000 1.233 47 L CB -0.995 41.335 42.059 0.453 0.000 1.436 47 L HN 0.334 nan 8.230 nan 0.000 0.416 48 I N -1.728 118.859 120.570 0.029 0.000 3.074 48 I HA 0.691 4.861 4.170 0.001 0.000 0.310 48 I C -1.000 175.004 176.117 -0.187 0.000 1.153 48 I CA -0.878 60.343 61.300 -0.131 0.000 0.993 48 I CB 2.357 40.170 38.000 -0.312 0.000 1.237 48 I HN 0.154 nan 8.210 nan 0.000 0.443 49 N N 0.718 119.357 118.700 -0.103 0.000 3.229 49 N HA 0.336 5.077 4.740 0.001 0.000 0.315 49 N C -0.099 175.525 175.510 0.191 0.000 1.520 49 N CA -0.603 52.484 53.050 0.060 0.000 0.769 49 N CB 0.200 38.763 38.487 0.125 0.000 1.766 49 N HN 0.603 nan 8.380 nan 0.000 0.618 50 D N -0.674 119.926 120.400 0.333 0.000 2.116 50 D HA -0.189 4.451 4.640 0.001 0.000 0.193 50 D C 1.339 177.766 176.300 0.213 0.000 0.998 50 D CA 1.622 55.798 54.000 0.293 0.000 0.836 50 D CB -0.377 40.540 40.800 0.194 0.000 0.951 50 D HN 0.563 nan 8.370 nan 0.000 0.449 51 Y N 1.366 121.700 120.300 0.056 0.000 2.145 51 Y HA -0.141 4.410 4.550 0.001 0.000 0.286 51 Y C 2.224 178.113 175.900 -0.018 0.000 1.145 51 Y CA 1.111 59.221 58.100 0.018 0.000 1.148 51 Y CB -0.565 37.903 38.460 0.012 0.000 0.981 51 Y HN -0.073 nan 8.280 nan 0.000 0.507 52 I N -0.651 119.815 120.570 -0.172 0.000 2.179 52 I HA -0.281 3.889 4.170 0.001 0.000 0.242 52 I C 2.311 178.233 176.117 -0.326 0.000 1.088 52 I CA 1.326 62.397 61.300 -0.383 0.000 1.357 52 I CB -0.477 37.341 38.000 -0.304 0.000 1.051 52 I HN 0.293 nan 8.210 nan 0.000 0.409 53 L N 0.962 122.093 121.223 -0.152 0.000 2.027 53 L HA -0.184 4.156 4.340 0.001 0.000 0.206 53 L C 2.368 179.215 176.870 -0.038 0.000 1.074 53 L CA 1.919 56.718 54.840 -0.069 0.000 0.745 53 L CB -0.545 41.586 42.059 0.121 0.000 0.898 53 L HN 0.021 nan 8.230 nan 0.000 0.433 54 K N -1.106 119.294 120.400 -0.001 0.000 2.097 54 K HA -0.106 4.215 4.320 0.001 0.000 0.206 54 K C 2.087 178.655 176.600 -0.053 0.000 1.049 54 K CA 1.476 57.770 56.287 0.012 0.000 0.933 54 K CB -0.125 32.410 32.500 0.059 0.000 0.717 54 K HN 0.308 nan 8.250 nan 0.000 0.442 55 S N 1.100 116.701 115.700 -0.166 0.000 2.368 55 S HA -0.094 4.376 4.470 0.001 0.000 0.225 55 S C 1.824 176.325 174.600 -0.165 0.000 1.030 55 S CA 1.047 59.116 58.200 -0.218 0.000 0.999 55 S CB -0.213 62.725 63.200 -0.436 0.000 0.844 55 S HN 0.189 nan 8.310 nan 0.000 0.459 56 L N 0.953 122.067 121.223 -0.181 0.000 2.046 56 L HA -0.092 4.249 4.340 0.001 0.000 0.208 56 L C 2.275 179.137 176.870 -0.014 0.000 1.077 56 L CA 1.041 55.821 54.840 -0.099 0.000 0.747 56 L CB -0.613 41.364 42.059 -0.136 0.000 0.896 56 L HN 0.275 nan 8.230 nan 0.000 0.432 57 L N -0.190 121.029 121.223 -0.006 0.000 2.083 57 L HA -0.220 4.120 4.340 0.001 0.000 0.209 57 L C 2.800 179.717 176.870 0.078 0.000 1.083 57 L CA 1.389 56.264 54.840 0.057 0.000 0.752 57 L CB -0.646 41.461 42.059 0.079 0.000 0.899 57 L HN 0.406 nan 8.230 nan 0.000 0.433 58 E N -0.149 120.071 120.200 0.032 0.000 2.085 58 E HA -0.275 4.075 4.350 0.001 0.000 0.194 58 E C 2.205 178.828 176.600 0.038 0.000 0.994 58 E CA 1.826 58.243 56.400 0.028 0.000 0.801 58 E CB -0.107 29.591 29.700 -0.002 0.000 0.743 58 E HN 0.334 nan 8.360 nan 0.000 0.453 59 S N 0.020 115.736 115.700 0.026 0.000 2.359 59 S HA -0.150 4.321 4.470 0.001 0.000 0.224 59 S C 2.058 176.712 174.600 0.090 0.000 1.035 59 S CA 1.541 59.773 58.200 0.053 0.000 1.018 59 S CB -0.389 62.853 63.200 0.070 0.000 0.876 59 S HN 0.511 nan 8.310 nan 0.000 0.448 60 A N 1.542 124.411 122.820 0.082 0.000 1.877 60 A HA -0.096 4.224 4.320 0.001 0.000 0.216 60 A C 2.073 179.791 177.584 0.224 0.000 1.186 60 A CA 1.539 53.597 52.037 0.036 0.000 0.620 60 A CB -0.653 18.277 19.000 -0.117 0.000 0.822 60 A HN 0.530 nan 8.150 nan 0.000 0.443 61 E N 0.224 120.584 120.200 0.266 0.000 2.077 61 E HA -0.174 4.177 4.350 0.001 0.000 0.193 61 E C 1.720 178.381 176.600 0.102 0.000 0.989 61 E CA 1.167 57.682 56.400 0.192 0.000 0.800 61 E CB -0.240 29.506 29.700 0.077 0.000 0.746 61 E HN 0.447 nan 8.360 nan 0.000 0.452 62 K N 1.044 121.489 120.400 0.075 0.000 2.296 62 K HA 0.018 4.338 4.320 0.001 0.000 0.200 62 K C 1.539 178.169 176.600 0.049 0.000 1.048 62 K CA 0.227 56.542 56.287 0.046 0.000 0.966 62 K CB -0.519 32.000 32.500 0.031 0.000 0.754 62 K HN 0.124 nan 8.250 nan 0.000 0.466 63 S N 0.723 116.460 115.700 0.062 0.000 2.633 63 S HA 0.041 4.512 4.470 0.001 0.000 0.257 63 S C 1.226 175.852 174.600 0.043 0.000 1.265 63 S CA 0.027 58.252 58.200 0.042 0.000 0.980 63 S CB 0.866 64.072 63.200 0.010 0.000 1.017 63 S HN 0.251 nan 8.310 nan 0.000 0.577 64 S N -0.180 115.535 115.700 0.025 0.000 2.650 64 S HA 0.035 4.505 4.470 0.001 0.000 0.219 64 S C 1.410 176.027 174.600 0.028 0.000 0.960 64 S CA 0.072 58.290 58.200 0.030 0.000 0.925 64 S CB -0.633 62.586 63.200 0.032 0.000 0.775 64 S HN 0.618 nan 8.310 nan 0.000 0.525 65 L N 2.437 123.669 121.223 0.015 0.000 2.013 65 L HA -0.067 4.273 4.340 0.001 0.000 0.212 65 L C 2.463 179.394 176.870 0.102 0.000 1.073 65 L CA 2.014 56.841 54.840 -0.021 0.000 0.753 65 L CB -0.833 41.139 42.059 -0.144 0.000 0.890 65 L HN 0.391 nan 8.230 nan 0.000 0.432 66 K N -0.856 119.671 120.400 0.211 0.000 2.044 66 K HA -0.237 4.083 4.320 0.001 0.000 0.210 66 K C 1.735 178.362 176.600 0.046 0.000 1.049 66 K CA 2.048 58.408 56.287 0.123 0.000 0.927 66 K CB -0.219 32.284 32.500 0.004 0.000 0.713 66 K HN 0.405 nan 8.250 nan 0.000 0.443 67 D N 0.513 120.939 120.400 0.044 0.000 2.117 67 D HA -0.116 4.524 4.640 0.001 0.000 0.198 67 D C 1.876 178.222 176.300 0.077 0.000 0.982 67 D CA 0.914 54.939 54.000 0.040 0.000 0.828 67 D CB 0.009 40.831 40.800 0.036 0.000 0.967 67 D HN 0.172 nan 8.370 nan 0.000 0.464 68 K N 0.577 121.040 120.400 0.105 0.000 2.097 68 K HA -0.041 4.279 4.320 0.001 0.000 0.206 68 K C 2.347 179.150 176.600 0.338 0.000 1.049 68 K CA 0.323 56.730 56.287 0.200 0.000 0.933 68 K CB -0.288 32.300 32.500 0.147 0.000 0.717 68 K HN 0.279 nan 8.250 nan 0.000 0.442 69 I N 1.277 122.012 120.570 0.274 0.000 2.179 69 I HA -0.309 3.861 4.170 0.001 0.000 0.242 69 I C 2.259 178.498 176.117 0.205 0.000 1.088 69 I CA 1.442 62.913 61.300 0.284 0.000 1.357 69 I CB -0.215 37.776 38.000 -0.015 0.000 1.051 69 I HN 0.150 nan 8.210 nan 0.000 0.409 70 K N 0.315 120.768 120.400 0.088 0.000 2.057 70 K HA -0.128 4.192 4.320 0.001 0.000 0.207 70 K C 1.102 177.742 176.600 0.066 0.000 1.049 70 K CA 0.906 57.222 56.287 0.050 0.000 0.931 70 K CB -0.173 32.323 32.500 -0.006 0.000 0.714 70 K HN 0.397 nan 8.250 nan 0.000 0.440 74 N N 0.699 119.390 118.700 -0.015 0.000 2.398 74 N HA 0.268 5.009 4.740 0.001 0.000 0.188 74 N C 1.419 176.852 175.510 -0.129 0.000 1.122 74 N CA 0.860 53.870 53.050 -0.065 0.000 0.866 74 N CB 0.713 39.178 38.487 -0.037 0.000 0.970 74 N HN 0.356 nan 8.380 nan 0.000 0.462 75 G N 0.039 108.726 108.800 -0.187 0.000 2.132 75 G HA2 -0.247 3.713 3.960 0.001 0.000 0.234 75 G HA3 -0.247 3.713 3.960 0.001 0.000 0.234 75 G C 0.214 175.035 174.900 -0.132 0.000 0.989 75 G CA -0.006 44.957 45.100 -0.228 0.000 0.676 75 G HN 0.729 nan 8.290 nan 0.000 0.522 76 A N -0.214 122.554 122.820 -0.086 0.000 2.425 76 A HA 0.585 4.906 4.320 0.001 0.000 0.242 76 A C 0.889 178.466 177.584 -0.011 0.000 1.077 76 A CA 0.511 52.530 52.037 -0.029 0.000 0.781 76 A CB 0.283 19.283 19.000 -0.001 0.000 1.020 76 A HN 0.417 nan 8.150 nan 0.000 0.494 77 K N 2.063 122.486 120.400 0.039 0.000 2.480 77 K HA 0.157 4.477 4.320 0.001 0.000 0.241 77 K C 0.839 177.507 176.600 0.114 0.000 1.261 77 K CA 0.104 56.442 56.287 0.085 0.000 1.193 77 K CB -0.433 32.143 32.500 0.127 0.000 1.598 77 K HN 0.705 nan 8.250 nan 0.000 0.278 78 I N -2.292 118.328 120.570 0.083 0.000 3.001 78 I HA -0.070 4.101 4.170 0.001 0.000 0.268 78 I C 0.681 176.917 176.117 0.199 0.000 1.267 78 I CA 0.364 61.745 61.300 0.135 0.000 1.472 78 I CB -0.080 37.999 38.000 0.133 0.000 1.089 78 I HN 0.109 nan 8.210 nan 0.000 0.468 79 N N 2.188 120.993 118.700 0.176 0.000 2.605 79 N HA 0.032 4.772 4.740 0.001 0.000 0.258 79 N C 0.994 176.611 175.510 0.178 0.000 1.156 79 N CA 0.506 53.689 53.050 0.221 0.000 1.008 79 N CB 0.413 39.023 38.487 0.205 0.000 1.354 79 N HN 0.435 nan 8.380 nan 0.000 0.509 80 S N 0.586 116.392 115.700 0.177 0.000 2.496 80 S HA -0.100 4.370 4.470 0.001 0.000 0.224 80 S C 1.681 176.282 174.600 0.003 0.000 0.996 80 S CA 0.883 59.174 58.200 0.151 0.000 0.927 80 S CB -0.414 62.888 63.200 0.170 0.000 0.774 80 S HN 0.567 nan 8.310 nan 0.000 0.524 81 T N -0.038 114.552 114.554 0.059 0.000 3.014 81 T HA 0.163 4.513 4.350 0.001 0.000 0.263 81 T C 1.374 176.067 174.700 -0.011 0.000 1.078 81 T CA 0.623 62.755 62.100 0.053 0.000 1.135 81 T CB -0.334 68.752 68.868 0.364 0.000 0.895 81 T HN 0.503 nan 8.240 nan 0.000 0.480 82 E N 0.092 120.324 120.200 0.053 0.000 2.481 82 E HA 0.075 4.425 4.350 0.001 0.000 0.198 82 E C -0.477 176.177 176.600 0.091 0.000 1.027 82 E CA -0.245 56.216 56.400 0.103 0.000 0.900 82 E CB 0.124 29.896 29.700 0.119 0.000 0.993 82 E HN 0.515 nan 8.360 nan 0.000 0.482 83 H N 0.484 119.658 119.070 0.173 0.000 2.672 83 H HA -0.146 4.410 4.556 0.001 0.000 0.325 83 H C -0.408 174.999 175.328 0.132 0.000 1.158 83 H CA 0.765 56.895 56.048 0.136 0.000 1.134 83 H CB -1.698 28.136 29.762 0.120 0.000 1.553 83 H HN 0.220 nan 8.280 nan 0.000 0.419 84 R N -0.538 120.093 120.500 0.218 0.000 2.795 84 R HA 0.758 5.098 4.340 0.001 0.000 0.275 84 R C 0.209 176.599 176.300 0.150 0.000 0.981 84 R CA -0.294 55.923 56.100 0.194 0.000 0.917 84 R CB 2.055 32.468 30.300 0.188 0.000 1.202 84 R HN 0.268 nan 8.270 nan 0.000 0.469 85 A N 1.265 124.169 122.820 0.141 0.000 2.327 85 A HA 0.421 4.742 4.320 0.001 0.000 0.255 85 A C -0.316 177.289 177.584 0.035 0.000 1.099 85 A CA -0.236 51.820 52.037 0.031 0.000 0.801 85 A CB 0.600 19.550 19.000 -0.083 0.000 1.062 85 A HN 0.375 nan 8.150 nan 0.000 0.496 86 V N 1.295 121.113 119.914 -0.160 0.000 2.380 86 V HA 0.287 4.407 4.120 0.001 0.000 0.272 86 V C -0.258 175.571 176.094 -0.442 0.000 1.011 86 V CA 0.152 62.272 62.300 -0.300 0.000 0.826 86 V CB 0.464 31.870 31.823 -0.695 0.000 1.040 86 V HN 0.714 nan 8.190 nan 0.000 0.441 87 L N 4.309 125.404 121.223 -0.214 0.000 3.347 87 L HA 0.273 4.613 4.340 0.001 0.000 0.306 87 L C 1.995 178.774 176.870 -0.151 0.000 1.301 87 L CA -0.221 54.373 54.840 -0.409 0.000 0.985 87 L CB 0.102 41.672 42.059 -0.815 0.000 1.400 87 L HN 0.802 nan 8.230 nan 0.000 0.601 88 H N -1.439 117.618 119.070 -0.023 0.000 2.422 88 H HA -0.165 4.391 4.556 0.001 0.000 0.298 88 H C 1.817 177.069 175.328 -0.127 0.000 1.098 88 H CA 1.795 57.879 56.048 0.060 0.000 1.315 88 H CB -0.942 28.891 29.762 0.118 0.000 1.382 88 H HN 0.436 nan 8.280 nan 0.000 0.523 89 T N -0.544 113.650 114.554 -0.600 0.000 2.759 89 T HA -0.057 4.294 4.350 0.001 0.000 0.269 89 T C 2.366 176.946 174.700 -0.200 0.000 1.042 89 T CA 1.470 63.316 62.100 -0.423 0.000 1.140 89 T CB -0.718 67.713 68.868 -0.728 0.000 0.864 89 T HN 0.518 nan 8.240 nan 0.000 0.455 90 A N 1.511 124.189 122.820 -0.237 0.000 2.015 90 A HA 0.211 4.531 4.320 0.001 0.000 0.219 90 A C 2.395 179.963 177.584 -0.026 0.000 1.163 90 A CA 1.009 52.942 52.037 -0.175 0.000 0.646 90 A CB -0.879 17.876 19.000 -0.410 0.000 0.806 90 A HN 0.573 nan 8.150 nan 0.000 0.448 91 L N -0.351 120.927 121.223 0.092 0.000 2.191 91 L HA -0.152 4.189 4.340 0.001 0.000 0.212 91 L C 2.412 179.386 176.870 0.172 0.000 1.103 91 L CA 1.489 56.474 54.840 0.241 0.000 0.769 91 L CB -0.324 41.983 42.059 0.413 0.000 0.908 91 L HN 0.553 nan 8.230 nan 0.000 0.438 92 R N -0.550 119.984 120.500 0.056 0.000 2.543 92 R HA 0.145 4.486 4.340 0.001 0.000 0.323 92 R C -0.267 176.053 176.300 0.033 0.000 1.002 92 R CA -0.296 55.820 56.100 0.027 0.000 1.106 92 R CB -0.605 29.640 30.300 -0.092 0.000 1.280 92 R HN 0.083 nan 8.270 nan 0.000 0.549 93 D N 1.260 121.672 120.400 0.020 0.000 2.455 93 D HA -0.002 4.638 4.640 0.001 0.000 0.241 93 D C 0.619 176.749 176.300 -0.284 0.000 1.138 93 D CA 0.194 54.168 54.000 -0.043 0.000 0.877 93 D CB 0.787 41.577 40.800 -0.017 0.000 1.187 93 D HN 0.216 nan 8.370 nan 0.000 0.451 94 L N 2.666 123.418 121.223 -0.784 0.000 2.966 94 L HA 0.076 4.417 4.340 0.001 0.000 0.262 94 L C 2.047 178.637 176.870 -0.467 0.000 1.165 94 L CA 0.051 54.480 54.840 -0.684 0.000 0.978 94 L CB 0.043 41.563 42.059 -0.899 0.000 1.337 94 L HN 0.500 nan 8.230 nan 0.000 0.563 95 S N -1.049 114.455 115.700 -0.327 0.000 2.406 95 S HA -0.135 4.336 4.470 0.001 0.000 0.228 95 S C 1.327 175.894 174.600 -0.055 0.000 1.020 95 S CA 0.781 58.943 58.200 -0.063 0.000 0.965 95 S CB -0.088 63.159 63.200 0.079 0.000 0.798 95 S HN 0.335 nan 8.310 nan 0.000 0.488 96 S N 1.198 116.857 115.700 -0.068 0.000 3.445 96 S HA -0.169 4.301 4.470 0.001 0.000 0.319 96 S C 0.514 175.093 174.600 -0.035 0.000 1.209 96 S CA 0.956 59.127 58.200 -0.048 0.000 0.934 96 S CB -2.853 60.322 63.200 -0.042 0.000 0.999 96 S HN 1.206 nan 8.310 nan 0.000 0.582 97 T N 0.138 114.675 114.554 -0.029 0.000 2.856 97 T HA 0.446 4.796 4.350 0.001 0.000 0.306 97 T C -2.434 172.242 174.700 -0.039 0.000 1.062 97 T CA -1.350 60.732 62.100 -0.029 0.000 1.083 97 T CB 0.070 68.922 68.868 -0.026 0.000 0.984 97 T HN 0.006 nan 8.240 nan 0.000 0.542 98 P HA 0.416 nan 4.420 nan 0.000 0.271 98 P C -1.041 176.222 177.300 -0.061 0.000 1.216 98 P CA -0.447 62.626 63.100 -0.045 0.000 0.771 98 P CB 0.317 31.995 31.700 -0.036 0.000 0.864 99 L N 5.093 126.270 121.223 -0.077 0.000 2.611 99 L HA 0.466 4.807 4.340 0.001 0.000 0.263 99 L C -1.540 175.258 176.870 -0.120 0.000 0.969 99 L CA -0.104 54.668 54.840 -0.113 0.000 0.894 99 L CB 0.833 42.799 42.059 -0.154 0.000 1.229 99 L HN 0.233 nan 8.230 nan 0.000 0.416 100 I N 5.576 126.085 120.570 -0.101 0.000 2.410 100 I HA 0.639 4.809 4.170 0.001 0.000 0.286 100 I C -0.908 175.156 176.117 -0.088 0.000 1.009 100 I CA -0.811 60.442 61.300 -0.078 0.000 1.111 100 I CB 1.937 39.911 38.000 -0.043 0.000 1.262 100 I HN 0.216 nan 8.210 nan 0.000 0.443 101 V N 4.567 124.423 119.914 -0.097 0.000 2.686 101 V HA 0.303 4.424 4.120 0.001 0.000 0.306 101 V C -0.030 176.071 176.094 0.010 0.000 1.065 101 V CA -0.553 61.694 62.300 -0.089 0.000 0.894 101 V CB 1.775 33.460 31.823 -0.230 0.000 1.004 101 V HN 0.867 nan 8.190 nan 0.000 0.424 102 D N 3.689 124.115 120.400 0.044 0.000 2.708 102 D HA -0.176 4.465 4.640 0.001 0.000 0.236 102 D C 1.288 177.643 176.300 0.092 0.000 1.146 102 D CA 2.159 56.215 54.000 0.094 0.000 0.662 102 D CB -1.059 39.843 40.800 0.170 0.000 1.059 102 D HN 1.700 nan 8.370 nan 0.000 0.428 103 G N -0.696 108.138 108.800 0.057 0.000 2.189 103 G HA2 -0.349 3.612 3.960 0.001 0.000 0.267 103 G HA3 -0.349 3.612 3.960 0.001 0.000 0.267 103 G C 0.174 175.112 174.900 0.062 0.000 0.975 103 G CA 0.729 45.862 45.100 0.054 0.000 0.644 103 G HN 0.609 nan 8.290 nan 0.000 0.537 104 Q N 0.085 119.926 119.800 0.069 0.000 2.309 104 Q HA 0.422 4.762 4.340 0.001 0.000 0.264 104 Q C -1.126 174.882 176.000 0.013 0.000 1.008 104 Q CA -0.911 54.934 55.803 0.071 0.000 0.853 104 Q CB 1.769 30.590 28.738 0.138 0.000 1.314 104 Q HN 0.188 nan 8.270 nan 0.000 0.448 105 D N 3.077 123.485 120.400 0.012 0.000 2.359 105 D HA 0.022 4.662 4.640 0.001 0.000 0.250 105 D C 0.782 177.053 176.300 -0.049 0.000 1.264 105 D CA -0.063 53.925 54.000 -0.021 0.000 0.911 105 D CB 0.669 41.469 40.800 -0.001 0.000 1.056 105 D HN 0.475 nan 8.370 nan 0.000 0.499 106 I N 4.174 124.670 120.570 -0.123 0.000 2.361 106 I HA -0.208 3.963 4.170 0.001 0.000 0.251 106 I C 2.186 178.208 176.117 -0.158 0.000 1.133 106 I CA 0.703 61.873 61.300 -0.216 0.000 1.413 106 I CB -0.608 37.155 38.000 -0.395 0.000 1.073 106 I HN 0.379 nan 8.210 nan 0.000 0.424 107 R N 1.011 121.449 120.500 -0.103 0.000 2.066 107 R HA -0.178 4.163 4.340 0.001 0.000 0.232 107 R C 2.114 178.407 176.300 -0.012 0.000 1.131 107 R CA 1.414 57.479 56.100 -0.058 0.000 0.955 107 R CB -1.077 29.196 30.300 -0.045 0.000 0.851 107 R HN 0.646 nan 8.270 nan 0.000 0.432 108 Q N 0.805 120.607 119.800 0.003 0.000 2.079 108 Q HA -0.120 4.221 4.340 0.001 0.000 0.200 108 Q C 1.453 177.504 176.000 0.085 0.000 0.974 108 Q CA 1.197 57.025 55.803 0.042 0.000 0.840 108 Q CB -0.063 28.700 28.738 0.041 0.000 0.898 108 Q HN 0.199 nan 8.270 nan 0.000 0.430 109 E N 0.618 120.864 120.200 0.076 0.000 2.051 109 E HA -0.134 4.217 4.350 0.001 0.000 0.192 109 E C 2.300 179.048 176.600 0.247 0.000 0.991 109 E CA 1.420 57.931 56.400 0.185 0.000 0.799 109 E CB -0.187 29.546 29.700 0.056 0.000 0.748 109 E HN 0.288 nan 8.360 nan 0.000 0.449 110 V N 1.308 121.254 119.914 0.054 0.000 2.307 110 V HA -0.220 3.901 4.120 0.001 0.000 0.245 110 V C 2.430 178.668 176.094 0.240 0.000 1.045 110 V CA 2.116 64.513 62.300 0.162 0.000 1.024 110 V CB -0.802 31.058 31.823 0.061 0.000 0.651 110 V HN 0.283 nan 8.190 nan 0.000 0.449 111 T N -0.318 114.328 114.554 0.153 0.000 2.746 111 T HA -0.257 4.093 4.350 0.001 0.000 0.267 111 T C 1.941 176.731 174.700 0.150 0.000 1.039 111 T CA 1.975 64.159 62.100 0.141 0.000 1.142 111 T CB -0.212 68.708 68.868 0.087 0.000 0.866 111 T HN 0.492 nan 8.240 nan 0.000 0.444 112 K N 0.898 121.392 120.400 0.157 0.000 2.026 112 K HA -0.175 4.146 4.320 0.001 0.000 0.208 112 K C 2.317 179.015 176.600 0.163 0.000 1.048 112 K CA 1.667 58.038 56.287 0.140 0.000 0.929 112 K CB -0.088 32.498 32.500 0.143 0.000 0.713 112 K HN 0.155 nan 8.250 nan 0.000 0.439 113 E N 0.962 121.315 120.200 0.255 0.000 2.106 113 E HA -0.139 4.211 4.350 0.001 0.000 0.192 113 E C 1.591 178.320 176.600 0.215 0.000 0.984 113 E CA 1.556 58.108 56.400 0.252 0.000 0.806 113 E CB 0.122 30.039 29.700 0.360 0.000 0.750 113 E HN 0.278 nan 8.360 nan 0.000 0.458 114 K N -0.063 120.482 120.400 0.241 0.000 2.063 114 K HA -0.185 4.135 4.320 0.001 0.000 0.208 114 K C 2.384 178.961 176.600 -0.039 0.000 1.048 114 K CA 1.699 58.111 56.287 0.208 0.000 0.928 114 K CB -0.145 32.553 32.500 0.329 0.000 0.713 114 K HN 0.223 nan 8.250 nan 0.000 0.442 115 Q N 0.300 120.100 119.800 -0.000 0.000 2.096 115 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 115 Q C 2.149 178.104 176.000 -0.075 0.000 0.982 115 Q CA 1.493 57.257 55.803 -0.065 0.000 0.850 115 Q CB -0.082 28.657 28.738 0.003 0.000 0.901 115 Q HN 0.265 nan 8.270 nan 0.000 0.422 116 R N -0.213 120.298 120.500 0.018 0.000 2.081 116 R HA -0.107 4.233 4.340 0.001 0.000 0.235 116 R C 2.347 178.692 176.300 0.076 0.000 1.131 116 R CA 1.389 57.544 56.100 0.092 0.000 0.960 116 R CB -0.394 30.009 30.300 0.171 0.000 0.856 116 R HN 0.109 nan 8.270 nan 0.000 0.436 117 V N 1.652 121.549 119.914 -0.027 0.000 2.343 117 V HA -0.272 3.848 4.120 0.001 0.000 0.247 117 V C 2.433 178.290 176.094 -0.396 0.000 1.051 117 V CA 1.809 63.968 62.300 -0.235 0.000 1.036 117 V CB -0.508 31.212 31.823 -0.172 0.000 0.654 117 V HN 0.327 nan 8.190 nan 0.000 0.451 118 K N 0.217 120.234 120.400 -0.638 0.000 2.032 118 K HA -0.282 4.038 4.320 0.001 0.000 0.209 118 K C 2.250 178.659 176.600 -0.318 0.000 1.048 118 K CA 2.187 58.020 56.287 -0.758 0.000 0.927 118 K CB -0.189 31.723 32.500 -0.979 0.000 0.712 118 K HN 0.580 nan 8.250 nan 0.000 0.441 119 E N 0.324 120.406 120.200 -0.196 0.000 2.077 119 E HA -0.212 4.138 4.350 0.001 0.000 0.193 119 E C 2.096 178.676 176.600 -0.033 0.000 0.989 119 E CA 1.018 57.375 56.400 -0.072 0.000 0.800 119 E CB -0.070 29.623 29.700 -0.012 0.000 0.746 119 E HN 0.274 nan 8.360 nan 0.000 0.452 120 L N 0.473 121.661 121.223 -0.058 0.000 1.994 120 L HA -0.169 4.171 4.340 0.001 0.000 0.208 120 L C 2.296 179.089 176.870 -0.127 0.000 1.071 120 L CA 1.507 56.318 54.840 -0.049 0.000 0.745 120 L CB -0.635 41.319 42.059 -0.174 0.000 0.892 120 L HN 0.036 nan 8.230 nan 0.000 0.431 121 V N -0.013 119.698 119.914 -0.339 0.000 2.287 121 V HA -0.309 3.811 4.120 0.001 0.000 0.248 121 V C 2.656 178.706 176.094 -0.073 0.000 1.053 121 V CA 1.988 64.055 62.300 -0.390 0.000 1.027 121 V CB -0.797 30.712 31.823 -0.523 0.000 0.646 121 V HN 0.632 nan 8.190 nan 0.000 0.447 122 E N 0.615 120.782 120.200 -0.055 0.000 2.077 122 E HA -0.233 4.117 4.350 0.001 0.000 0.193 122 E C 2.113 178.751 176.600 0.063 0.000 0.989 122 E CA 1.643 58.050 56.400 0.013 0.000 0.800 122 E CB -0.258 29.443 29.700 0.002 0.000 0.746 122 E HN 0.548 nan 8.360 nan 0.000 0.452 123 K N -0.472 119.982 120.400 0.089 0.000 2.097 123 K HA -0.067 4.253 4.320 0.001 0.000 0.205 123 K C 2.080 178.806 176.600 0.210 0.000 1.050 123 K CA 1.297 57.682 56.287 0.162 0.000 0.938 123 K CB -0.019 32.623 32.500 0.237 0.000 0.718 123 K HN 0.022 nan 8.250 nan 0.000 0.442 124 V N 0.544 120.569 119.914 0.185 0.000 2.323 124 V HA -0.194 3.926 4.120 0.001 0.000 0.244 124 V C 2.147 178.318 176.094 0.128 0.000 1.041 124 V CA 1.413 63.802 62.300 0.149 0.000 1.025 124 V CB -0.204 31.662 31.823 0.072 0.000 0.656 124 V HN 0.070 nan 8.190 nan 0.000 0.451 125 V N 1.068 121.058 119.914 0.128 0.000 2.427 125 V HA -0.188 3.932 4.120 0.001 0.000 0.248 125 V C 2.642 178.786 176.094 0.083 0.000 1.051 125 V CA 2.127 64.487 62.300 0.099 0.000 1.048 125 V CB -0.677 31.202 31.823 0.094 0.000 0.666 125 V HN 0.756 nan 8.190 nan 0.000 0.456 126 S N 0.038 115.789 115.700 0.086 0.000 2.481 126 S HA 0.137 4.607 4.470 0.001 0.000 0.231 126 S C 1.728 176.376 174.600 0.080 0.000 0.996 126 S CA 0.977 59.222 58.200 0.075 0.000 0.942 126 S CB 0.248 63.490 63.200 0.070 0.000 0.768 126 S HN 1.222 nan 8.310 nan 0.000 0.520 127 G N 1.486 110.347 108.800 0.103 0.000 2.157 127 G HA2 -0.299 3.662 3.960 0.001 0.000 0.239 127 G HA3 -0.299 3.662 3.960 0.001 0.000 0.239 127 G C 0.746 175.715 174.900 0.114 0.000 0.982 127 G CA 0.359 45.524 45.100 0.107 0.000 0.650 127 G HN 0.564 nan 8.290 nan 0.000 0.527 128 R N -0.899 119.676 120.500 0.126 0.000 2.090 128 R HA 0.012 4.352 4.340 0.001 0.000 0.228 128 R C 1.124 177.502 176.300 0.131 0.000 1.110 128 R CA 0.644 56.808 56.100 0.106 0.000 0.973 128 R CB -0.042 30.315 30.300 0.095 0.000 0.869 128 R HN 0.402 nan 8.270 nan 0.000 0.440 129 W N 3.013 124.327 121.300 0.023 0.000 2.304 129 W HA 0.177 4.838 4.660 0.000 0.000 0.313 129 W C -0.818 175.707 176.519 0.010 0.000 1.323 129 W CA -0.065 57.291 57.345 0.019 0.000 1.223 129 W CB 0.532 30.011 29.460 0.031 0.000 1.237 129 W HN 0.059 nan 8.180 nan 0.000 0.535 130 R N 3.411 123.947 120.500 0.060 0.000 2.854 130 R HA 0.502 4.842 4.340 0.001 0.000 0.271 130 R C 0.428 176.781 176.300 0.087 0.000 0.996 130 R CA -0.723 55.452 56.100 0.124 0.000 0.961 130 R CB 0.965 31.285 30.300 0.034 0.000 1.182 130 R HN 0.644 nan 8.270 nan 0.000 0.479 131 G N 0.187 109.080 108.800 0.156 0.000 2.683 131 G HA2 0.011 3.971 3.960 0.001 0.000 0.260 131 G HA3 0.011 3.971 3.960 0.001 0.000 0.260 131 G C 0.403 175.413 174.900 0.184 0.000 1.238 131 G CA -0.301 44.859 45.100 0.100 0.000 0.934 131 G HN 0.526 nan 8.290 nan 0.000 0.534 132 F N 0.571 120.630 119.950 0.182 0.000 2.269 132 F HA -0.086 4.442 4.527 0.001 0.000 0.301 132 F C 2.699 178.554 175.800 0.092 0.000 1.082 132 F CA 1.813 59.809 58.000 -0.007 0.000 1.360 132 F CB 0.090 38.871 39.000 -0.365 0.000 1.041 132 F HN 0.341 nan 8.300 nan 0.000 0.512 133 S N -0.896 114.975 115.700 0.284 0.000 2.605 133 S HA 0.351 4.822 4.470 0.001 0.000 0.217 133 S C 1.552 176.191 174.600 0.065 0.000 0.958 133 S CA 0.262 58.555 58.200 0.154 0.000 0.919 133 S CB -0.318 63.062 63.200 0.301 0.000 0.780 133 S HN 0.784 nan 8.310 nan 0.000 0.507 134 G N 0.879 109.711 108.800 0.054 0.000 2.157 134 G HA2 -0.232 3.729 3.960 0.001 0.000 0.239 134 G HA3 -0.232 3.729 3.960 0.001 0.000 0.239 134 G C -0.130 174.808 174.900 0.064 0.000 0.982 134 G CA -0.025 45.090 45.100 0.025 0.000 0.650 134 G HN 0.583 nan 8.290 nan 0.000 0.527 135 K N 0.356 120.824 120.400 0.114 0.000 2.118 135 K HA 0.458 4.779 4.320 0.001 0.000 0.264 135 K C 0.558 177.233 176.600 0.125 0.000 1.000 135 K CA -0.643 55.710 56.287 0.110 0.000 0.929 135 K CB 1.300 33.870 32.500 0.117 0.000 1.021 135 K HN 0.186 nan 8.250 nan 0.000 0.463 136 K N 2.640 123.101 120.400 0.100 0.000 2.382 136 K HA 0.064 4.384 4.320 0.001 0.000 0.275 136 K C -0.105 176.556 176.600 0.102 0.000 1.009 136 K CA -0.485 55.865 56.287 0.105 0.000 0.970 136 K CB 0.474 33.020 32.500 0.077 0.000 0.934 136 K HN 0.367 nan 8.250 nan 0.000 0.479 137 I N 4.103 124.732 120.570 0.099 0.000 2.588 137 I HA -0.042 4.129 4.170 0.001 0.000 0.283 137 I C 1.524 177.647 176.117 0.010 0.000 1.119 137 I CA 0.418 61.747 61.300 0.048 0.000 1.419 137 I CB 0.867 38.848 38.000 -0.032 0.000 1.394 137 I HN 0.904 nan 8.210 nan 0.000 0.562 138 T N 0.244 114.799 114.554 0.002 0.000 2.958 138 T HA 0.284 4.634 4.350 0.001 0.000 0.256 138 T C 0.144 174.830 174.700 -0.024 0.000 0.983 138 T CA -0.197 61.902 62.100 -0.003 0.000 0.924 138 T CB 0.260 69.139 68.868 0.019 0.000 1.136 138 T HN 0.487 nan 8.240 nan 0.000 0.506 139 D N 0.540 120.914 120.400 -0.044 0.000 2.857 139 D HA 0.583 5.223 4.640 0.001 0.000 0.227 139 D C -1.284 174.928 176.300 -0.146 0.000 1.192 139 D CA -0.619 53.364 54.000 -0.027 0.000 0.857 139 D CB 1.924 42.762 40.800 0.064 0.000 1.645 139 D HN 0.059 nan 8.370 nan 0.000 0.482 140 I N 1.831 122.285 120.570 -0.193 0.000 2.465 140 I HA 0.425 4.595 4.170 0.001 0.000 0.291 140 I C -0.654 175.325 176.117 -0.231 0.000 1.014 140 I CA -0.867 60.216 61.300 -0.361 0.000 1.093 140 I CB 1.593 39.228 38.000 -0.608 0.000 1.267 140 I HN 0.185 nan 8.210 nan 0.000 0.431 141 V N 5.607 125.366 119.914 -0.258 0.000 2.376 141 V HA 0.312 4.432 4.120 0.001 0.000 0.287 141 V C 0.015 175.961 176.094 -0.245 0.000 1.015 141 V CA -0.794 61.362 62.300 -0.240 0.000 0.834 141 V CB 1.740 33.420 31.823 -0.238 0.000 1.001 141 V HN 0.731 nan 8.190 nan 0.000 0.428 142 N N 4.479 123.002 118.700 -0.296 0.000 2.444 142 N HA 0.497 5.237 4.740 0.001 0.000 0.271 142 N C -0.828 174.641 175.510 -0.069 0.000 1.069 142 N CA -0.198 52.756 53.050 -0.161 0.000 0.965 142 N CB 0.721 39.128 38.487 -0.133 0.000 1.092 142 N HN 0.641 nan 8.380 nan 0.000 0.476 143 I N 2.789 123.341 120.570 -0.030 0.000 2.382 143 I HA 0.609 4.779 4.170 0.001 0.000 0.285 143 I C 0.565 176.671 176.117 -0.018 0.000 1.007 143 I CA -0.573 60.714 61.300 -0.022 0.000 1.142 143 I CB 1.371 39.360 38.000 -0.019 0.000 1.289 143 I HN 0.602 nan 8.210 nan 0.000 0.453 144 G N 6.028 114.823 108.800 -0.009 0.000 2.466 144 G HA2 0.605 4.565 3.960 0.001 0.000 0.291 144 G HA3 0.605 4.565 3.960 0.001 0.000 0.291 144 G C -2.107 172.781 174.900 -0.021 0.000 1.460 144 G CA -0.467 44.621 45.100 -0.021 0.000 0.791 144 G HN 0.477 nan 8.290 nan 0.000 0.505 145 I N -0.010 120.537 120.570 -0.039 0.000 2.865 145 I HA 0.637 4.808 4.170 0.001 0.000 0.302 145 I C 0.998 177.081 176.117 -0.057 0.000 1.140 145 I CA 0.794 62.066 61.300 -0.047 0.000 1.021 145 I CB 2.013 39.982 38.000 -0.052 0.000 1.233 145 I HN 1.891 nan 8.210 nan 0.000 0.427 146 G N 4.086 112.844 108.800 -0.070 0.000 2.565 146 G HA2 -0.334 3.626 3.960 0.001 0.000 0.295 146 G HA3 -0.334 3.626 3.960 0.001 0.000 0.295 146 G C 0.908 175.754 174.900 -0.091 0.000 1.165 146 G CA 0.433 45.480 45.100 -0.090 0.000 0.977 146 G HN 1.279 nan 8.290 nan 0.000 0.546 147 G N -0.513 108.232 108.800 -0.091 0.000 2.470 147 G HA2 0.130 4.090 3.960 0.001 0.000 0.220 147 G HA3 0.130 4.090 3.960 0.001 0.000 0.220 147 G C 1.705 176.588 174.900 -0.029 0.000 1.121 147 G CA 1.946 47.001 45.100 -0.075 0.000 0.766 147 G HN 1.233 nan 8.290 nan 0.000 0.553 148 S N -0.605 115.080 115.700 -0.025 0.000 2.634 148 S HA 0.191 4.662 4.470 0.001 0.000 0.221 148 S C 1.010 175.617 174.600 0.011 0.000 0.952 148 S CA 0.620 58.819 58.200 -0.000 0.000 0.930 148 S CB 0.246 63.444 63.200 -0.003 0.000 0.780 148 S HN 0.621 nan 8.310 nan 0.000 0.498 149 D N -0.286 120.102 120.400 -0.020 0.000 2.618 149 D HA 0.127 4.767 4.640 0.001 0.000 0.278 149 D C 1.437 177.645 176.300 -0.154 0.000 1.203 149 D CA -0.140 53.834 54.000 -0.042 0.000 1.073 149 D CB -0.513 40.258 40.800 -0.048 0.000 1.632 149 D HN 0.061 nan 8.370 nan 0.000 0.473 150 L N 1.062 122.216 121.223 -0.114 0.000 2.056 150 L HA 0.262 4.602 4.340 0.001 0.000 0.207 150 L C 2.222 179.063 176.870 -0.047 0.000 1.078 150 L CA 2.382 57.157 54.840 -0.109 0.000 0.749 150 L CB -1.008 41.027 42.059 -0.040 0.000 0.901 150 L HN 0.311 nan 8.230 nan 0.000 0.433 151 G N -0.628 108.209 108.800 0.062 0.000 2.433 151 G HA2 -0.182 3.778 3.960 0.001 0.000 0.216 151 G HA3 -0.182 3.778 3.960 0.001 0.000 0.216 151 G C -0.623 174.117 174.900 -0.266 0.000 1.186 151 G CA 0.748 45.762 45.100 -0.143 0.000 0.779 151 G HN 0.326 nan 8.290 nan 0.000 0.543 152 P HA -0.010 nan 4.420 nan 0.000 0.215 152 P C 1.203 178.260 177.300 -0.405 0.000 1.153 152 P CA 0.877 63.890 63.100 -0.144 0.000 0.853 152 P CB 0.087 31.828 31.700 0.067 0.000 0.788 156 V N 1.367 121.318 119.914 0.060 0.000 2.332 156 V HA -0.268 3.852 4.120 0.001 0.000 0.248 156 V C 2.556 178.830 176.094 0.300 0.000 1.055 156 V CA 2.943 65.378 62.300 0.225 0.000 1.038 156 V CB -0.679 31.306 31.823 0.270 0.000 0.651 156 V HN 0.583 nan 8.190 nan 0.000 0.450 157 R N 1.115 121.724 120.500 0.182 0.000 2.073 157 R HA -0.072 4.269 4.340 0.001 0.000 0.234 157 R C 2.151 178.517 176.300 0.110 0.000 1.134 157 R CA 2.018 58.221 56.100 0.173 0.000 0.952 157 R CB -1.016 29.451 30.300 0.278 0.000 0.850 157 R HN 0.416 nan 8.270 nan 0.000 0.433 158 A N 0.124 123.007 122.820 0.105 0.000 1.972 158 A HA 0.009 4.329 4.320 0.001 0.000 0.219 158 A C 1.680 179.321 177.584 0.095 0.000 1.169 158 A CA 1.233 53.314 52.037 0.073 0.000 0.635 158 A CB -0.291 18.735 19.000 0.043 0.000 0.810 158 A HN 0.351 nan 8.150 nan 0.000 0.446 159 L N -0.196 121.108 121.223 0.135 0.000 2.928 159 L HA 0.090 4.430 4.340 0.001 0.000 0.246 159 L C 1.996 179.002 176.870 0.226 0.000 1.239 159 L CA -0.170 54.809 54.840 0.232 0.000 1.035 159 L CB 0.046 42.208 42.059 0.171 0.000 1.360 159 L HN 0.445 nan 8.230 nan 0.000 0.529 160 Q N 1.944 121.718 119.800 -0.044 0.000 2.133 160 Q HA -0.194 4.147 4.340 0.001 0.000 0.208 160 Q C -0.699 175.056 176.000 -0.408 0.000 0.991 160 Q CA 2.035 57.519 55.803 -0.531 0.000 0.867 160 Q CB -0.823 27.672 28.738 -0.405 0.000 0.911 160 Q HN 0.339 nan 8.270 nan 0.000 0.417 161 P HA -0.111 nan 4.420 nan 0.000 0.225 161 P C 0.080 177.169 177.300 -0.352 0.000 1.148 161 P CA 1.122 63.987 63.100 -0.391 0.000 0.779 161 P CB -0.308 31.071 31.700 -0.534 0.000 0.780 162 Y N -2.693 117.609 120.300 0.002 0.000 2.457 162 Y HA 0.103 4.653 4.550 0.001 0.000 0.263 162 Y C 1.057 177.065 175.900 0.179 0.000 1.164 162 Y CA -0.340 57.812 58.100 0.086 0.000 1.274 162 Y CB -0.911 37.606 38.460 0.096 0.000 1.097 162 Y HN 0.075 nan 8.280 nan 0.000 0.523 163 H N 0.020 119.151 119.070 0.101 0.000 2.964 163 H HA 0.067 4.623 4.556 0.001 0.000 0.328 163 H C 0.508 175.870 175.328 0.055 0.000 1.030 163 H CA 0.654 56.746 56.048 0.073 0.000 1.445 163 H CB 0.825 30.611 29.762 0.039 0.000 1.449 163 H HN 0.511 nan 8.280 nan 0.000 0.581 164 C N -0.151 119.242 119.300 0.155 0.000 3.897 164 C HA 0.097 4.558 4.460 0.001 0.000 0.304 164 C C 1.739 176.776 174.990 0.078 0.000 2.314 164 C CA 0.068 59.149 59.018 0.106 0.000 1.559 164 C CB -1.078 26.729 27.740 0.111 0.000 3.163 164 C HN 0.875 nan 8.230 nan 0.000 0.476 165 T N -3.630 110.963 114.554 0.065 0.000 3.040 165 T HA 0.191 4.541 4.350 0.001 0.000 0.250 165 T C 0.521 175.250 174.700 0.048 0.000 1.058 165 T CA 0.957 63.093 62.100 0.059 0.000 0.988 165 T CB -0.320 68.587 68.868 0.064 0.000 0.993 165 T HN 0.359 nan 8.240 nan 0.000 0.519 166 D N 0.596 121.022 120.400 0.044 0.000 3.059 166 D HA -0.118 4.522 4.640 0.001 0.000 0.220 166 D C -0.355 175.954 176.300 0.015 0.000 1.169 166 D CA 0.577 54.597 54.000 0.034 0.000 0.902 166 D CB -1.652 39.169 40.800 0.035 0.000 1.116 166 D HN 0.476 nan 8.370 nan 0.000 0.417 167 L N 0.053 121.274 121.223 -0.003 0.000 2.325 167 L HA 0.368 4.709 4.340 0.001 0.000 0.278 167 L C 0.841 177.666 176.870 -0.075 0.000 1.023 167 L CA -0.655 54.157 54.840 -0.046 0.000 0.811 167 L CB 1.540 43.554 42.059 -0.076 0.000 1.249 167 L HN -0.317 nan 8.230 nan 0.000 0.431 168 K N 2.065 122.409 120.400 -0.093 0.000 2.183 168 K HA 0.545 4.865 4.320 0.001 0.000 0.274 168 K C -1.083 175.313 176.600 -0.340 0.000 1.009 168 K CA -0.606 55.570 56.287 -0.186 0.000 0.888 168 K CB 2.075 34.490 32.500 -0.141 0.000 1.078 168 K HN 0.234 nan 8.250 nan 0.000 0.459 169 V N 4.210 123.858 119.914 -0.444 0.000 2.417 169 V HA 0.269 4.389 4.120 0.001 0.000 0.291 169 V C -0.310 175.355 176.094 -0.715 0.000 1.024 169 V CA -0.826 61.172 62.300 -0.504 0.000 0.861 169 V CB 1.153 32.758 31.823 -0.364 0.000 0.985 169 V HN 0.742 nan 8.190 nan 0.000 0.436 170 H N 3.907 122.660 119.070 -0.527 0.000 2.622 170 H HA 0.563 5.120 4.556 0.001 0.000 0.363 170 H C -1.551 173.339 175.328 -0.730 0.000 1.151 170 H CA -0.548 55.247 56.048 -0.423 0.000 1.184 170 H CB 2.277 31.891 29.762 -0.248 0.000 1.643 170 H HN 0.483 nan 8.280 nan 0.000 0.531 171 F N 1.064 121.030 119.950 0.025 0.000 2.460 171 F HA 0.299 4.827 4.527 0.001 0.000 0.341 171 F C -0.027 175.747 175.800 -0.042 0.000 1.130 171 F CA -0.764 57.215 58.000 -0.036 0.000 0.962 171 F CB 1.682 40.633 39.000 -0.081 0.000 1.171 171 F HN 0.106 nan 8.300 nan 0.000 0.436 172 V N 2.960 122.910 119.914 0.061 0.000 2.459 172 V HA 0.560 4.680 4.120 0.001 0.000 0.295 172 V C 0.042 176.146 176.094 0.017 0.000 1.029 172 V CA 0.045 62.350 62.300 0.008 0.000 0.874 172 V CB 1.508 33.297 31.823 -0.056 0.000 0.985 172 V HN 0.962 nan 8.190 nan 0.000 0.438 173 S N 2.994 118.695 115.700 0.001 0.000 4.471 173 S HA 0.148 4.619 4.470 0.001 0.000 0.191 173 S C 0.578 175.163 174.600 -0.026 0.000 1.128 173 S CA -0.191 58.002 58.200 -0.011 0.000 1.153 173 S CB -0.223 62.970 63.200 -0.011 0.000 1.583 173 S HN 0.533 nan 8.310 nan 0.000 0.590 174 N N 1.848 120.534 118.700 -0.023 0.000 2.395 174 N HA 0.064 4.804 4.740 0.001 0.000 0.246 174 N C 1.051 176.545 175.510 -0.027 0.000 1.246 174 N CA 0.661 53.696 53.050 -0.025 0.000 0.879 174 N CB 1.340 39.815 38.487 -0.020 0.000 1.098 174 N HN 0.267 nan 8.380 nan 0.000 0.444 175 V N 1.935 121.833 119.914 -0.026 0.000 2.626 175 V HA -0.157 3.964 4.120 0.001 0.000 0.252 175 V C 0.474 176.556 176.094 -0.020 0.000 1.067 175 V CA 1.164 63.450 62.300 -0.024 0.000 1.081 175 V CB -0.677 31.134 31.823 -0.021 0.000 0.686 175 V HN 0.765 nan 8.190 nan 0.000 0.468 176 D N 0.334 120.722 120.400 -0.019 0.000 2.570 176 D HA 0.014 4.655 4.640 0.001 0.000 0.243 176 D C 1.123 177.409 176.300 -0.023 0.000 1.171 176 D CA 0.833 54.822 54.000 -0.018 0.000 0.879 176 D CB 1.325 42.115 40.800 -0.017 0.000 1.143 176 D HN 0.355 nan 8.370 nan 0.000 0.511 177 A N 3.876 126.682 122.820 -0.024 0.000 2.172 177 A HA -0.161 4.159 4.320 0.001 0.000 0.216 177 A C 1.811 179.371 177.584 -0.041 0.000 1.154 177 A CA 1.355 53.373 52.037 -0.032 0.000 0.701 177 A CB -0.346 18.638 19.000 -0.027 0.000 0.789 177 A HN 0.738 nan 8.150 nan 0.000 0.465 178 D N -0.599 119.780 120.400 -0.035 0.000 2.158 178 D HA -0.173 4.467 4.640 0.001 0.000 0.197 178 D C 2.101 178.377 176.300 -0.039 0.000 0.995 178 D CA 1.656 55.633 54.000 -0.038 0.000 0.846 178 D CB 0.006 40.789 40.800 -0.028 0.000 0.941 178 D HN 0.359 nan 8.370 nan 0.000 0.456 179 S N -1.105 114.575 115.700 -0.033 0.000 2.343 179 S HA -0.163 4.308 4.470 0.001 0.000 0.219 179 S C 1.860 176.427 174.600 -0.056 0.000 1.033 179 S CA 1.132 59.314 58.200 -0.029 0.000 1.014 179 S CB -0.548 62.639 63.200 -0.021 0.000 0.915 179 S HN 0.349 nan 8.310 nan 0.000 0.435 180 L N 1.617 122.795 121.223 -0.075 0.000 2.042 180 L HA 0.039 4.380 4.340 0.001 0.000 0.210 180 L C 2.142 178.912 176.870 -0.167 0.000 1.076 180 L CA 1.743 56.507 54.840 -0.126 0.000 0.749 180 L CB -0.657 41.331 42.059 -0.119 0.000 0.893 180 L HN 0.407 nan 8.230 nan 0.000 0.432 181 L N -1.023 120.127 121.223 -0.123 0.000 2.141 181 L HA -0.162 4.178 4.340 0.001 0.000 0.209 181 L C 2.629 179.446 176.870 -0.089 0.000 1.094 181 L CA 0.598 55.368 54.840 -0.117 0.000 0.763 181 L CB -0.630 41.379 42.059 -0.083 0.000 0.908 181 L HN 0.353 nan 8.230 nan 0.000 0.437 182 Q N -0.161 119.597 119.800 -0.070 0.000 2.170 182 Q HA -0.163 4.178 4.340 0.001 0.000 0.203 182 Q C 2.350 178.319 176.000 -0.052 0.000 0.976 182 Q CA 1.709 57.495 55.803 -0.030 0.000 0.858 182 Q CB -0.256 28.481 28.738 -0.002 0.000 0.907 182 Q HN 0.561 nan 8.270 nan 0.000 0.433 183 A N 0.676 123.410 122.820 -0.142 0.000 1.855 183 A HA -0.043 4.277 4.320 0.001 0.000 0.213 183 A C 2.205 179.559 177.584 -0.383 0.000 1.195 183 A CA 0.671 52.529 52.037 -0.299 0.000 0.610 183 A CB -0.662 18.151 19.000 -0.312 0.000 0.837 183 A HN 0.287 nan 8.150 nan 0.000 0.444 184 L N -1.014 119.959 121.223 -0.417 0.000 2.191 184 L HA -0.190 4.150 4.340 0.001 0.000 0.212 184 L C 2.543 179.288 176.870 -0.209 0.000 1.103 184 L CA 1.645 56.144 54.840 -0.569 0.000 0.769 184 L CB -0.698 40.851 42.059 -0.850 0.000 0.908 184 L HN 0.631 nan 8.230 nan 0.000 0.438 185 H N 0.257 119.214 119.070 -0.187 0.000 2.489 185 H HA -0.093 4.464 4.556 0.001 0.000 0.293 185 H C 1.559 176.850 175.328 -0.062 0.000 1.066 185 H CA 1.541 57.540 56.048 -0.082 0.000 1.305 185 H CB 0.280 30.004 29.762 -0.064 0.000 1.386 185 H HN 0.223 nan 8.280 nan 0.000 0.551 186 V N -1.436 118.388 119.914 -0.151 0.000 3.380 186 V HA 0.342 4.462 4.120 0.001 0.000 0.307 186 V C 0.221 176.225 176.094 -0.149 0.000 1.434 186 V CA 0.267 62.473 62.300 -0.157 0.000 1.075 186 V CB -0.101 31.693 31.823 -0.047 0.000 0.954 186 V HN 0.192 nan 8.190 nan 0.000 0.444 187 V N -2.639 117.184 119.914 -0.153 0.000 2.914 187 V HA 0.752 4.872 4.120 0.001 0.000 0.314 187 V C -1.222 174.915 176.094 0.071 0.000 1.084 187 V CA -0.523 61.728 62.300 -0.081 0.000 0.963 187 V CB 2.164 33.878 31.823 -0.181 0.000 1.025 187 V HN 0.219 nan 8.190 nan 0.000 0.432 188 D N 3.603 124.026 120.400 0.038 0.000 2.232 188 D HA 0.494 5.135 4.640 0.001 0.000 0.242 188 D C -1.674 174.565 176.300 -0.102 0.000 1.093 188 D CA -2.209 51.760 54.000 -0.052 0.000 0.845 188 D CB 2.466 43.214 40.800 -0.086 0.000 1.124 188 D HN 0.401 nan 8.370 nan 0.000 0.467 189 P HA -0.124 nan 4.420 nan 0.000 0.218 189 P C 0.633 177.650 177.300 -0.471 0.000 1.148 189 P CA 1.026 63.691 63.100 -0.724 0.000 0.822 189 P CB 0.409 31.243 31.700 -1.443 0.000 0.784 190 E N -0.579 119.388 120.200 -0.387 0.000 2.418 190 E HA -0.051 4.300 4.350 0.001 0.000 0.197 190 E C 0.926 177.672 176.600 0.244 0.000 1.026 190 E CA 1.348 57.754 56.400 0.010 0.000 0.862 190 E CB -0.318 29.376 29.700 -0.009 0.000 0.799 190 E HN 0.390 nan 8.360 nan 0.000 0.518 191 T N -2.268 112.365 114.554 0.131 0.000 3.288 191 T HA 0.166 4.517 4.350 0.001 0.000 0.293 191 T C 0.102 174.876 174.700 0.123 0.000 1.008 191 T CA -0.520 61.670 62.100 0.149 0.000 0.929 191 T CB 0.648 69.560 68.868 0.073 0.000 1.152 191 T HN -0.237 nan 8.240 nan 0.000 0.517 192 T N 2.687 117.348 114.554 0.179 0.000 2.824 192 T HA 0.647 4.998 4.350 0.001 0.000 0.282 192 T C -1.225 173.562 174.700 0.145 0.000 0.993 192 T CA -0.637 61.524 62.100 0.103 0.000 0.967 192 T CB 1.888 70.826 68.868 0.117 0.000 0.960 192 T HN 0.248 nan 8.240 nan 0.000 0.441 193 L N 4.566 125.738 121.223 -0.084 0.000 2.272 193 L HA 0.627 4.967 4.340 0.001 0.000 0.289 193 L C -1.376 175.330 176.870 -0.274 0.000 1.032 193 L CA -0.558 54.163 54.840 -0.199 0.000 0.810 193 L CB 0.455 42.245 42.059 -0.449 0.000 1.205 193 L HN 0.526 nan 8.230 nan 0.000 0.422 194 L N 6.285 127.319 121.223 -0.315 0.000 2.309 194 L HA 0.526 4.867 4.340 0.001 0.000 0.282 194 L C -0.413 176.345 176.870 -0.186 0.000 1.036 194 L CA -0.039 54.585 54.840 -0.360 0.000 0.806 194 L CB 1.444 43.084 42.059 -0.698 0.000 1.220 194 L HN 0.480 nan 8.230 nan 0.000 0.429 195 I N 4.164 124.678 120.570 -0.095 0.000 2.362 195 I HA 0.363 4.533 4.170 0.001 0.000 0.289 195 I C -0.466 175.699 176.117 0.080 0.000 0.994 195 I CA -0.353 60.960 61.300 0.022 0.000 1.158 195 I CB 1.436 39.423 38.000 -0.022 0.000 1.315 195 I HN 0.431 nan 8.210 nan 0.000 0.451 196 I N 6.263 126.938 120.570 0.174 0.000 2.291 196 I HA 0.391 4.562 4.170 0.001 0.000 0.290 196 I C 0.407 176.609 176.117 0.143 0.000 1.050 196 I CA -0.218 61.154 61.300 0.120 0.000 1.245 196 I CB 1.009 39.071 38.000 0.104 0.000 1.405 196 I HN 0.595 nan 8.210 nan 0.000 0.478 197 A N 4.944 127.799 122.820 0.059 0.000 2.273 197 A HA 0.658 4.979 4.320 0.001 0.000 0.320 197 A C -0.095 177.507 177.584 0.030 0.000 1.358 197 A CA -0.323 51.756 52.037 0.070 0.000 0.910 197 A CB 0.832 19.860 19.000 0.048 0.000 1.159 197 A HN 0.573 nan 8.150 nan 0.000 0.526 198 S N 2.296 118.051 115.700 0.091 0.000 2.653 198 S HA 0.238 4.708 4.470 0.001 0.000 0.268 198 S C 0.653 175.329 174.600 0.127 0.000 1.153 198 S CA -0.512 57.712 58.200 0.041 0.000 1.036 198 S CB 0.867 63.983 63.200 -0.139 0.000 1.103 198 S HN 0.784 nan 8.310 nan 0.000 0.466 199 K N 2.530 122.964 120.400 0.057 0.000 2.020 199 K HA -0.137 4.184 4.320 0.001 0.000 0.212 199 K C 1.912 178.550 176.600 0.063 0.000 1.050 199 K CA 2.504 58.816 56.287 0.041 0.000 0.929 199 K CB -0.338 32.171 32.500 0.015 0.000 0.714 199 K HN 0.707 nan 8.250 nan 0.000 0.443 200 S N -0.562 115.175 115.700 0.061 0.000 2.436 200 S HA -0.085 4.386 4.470 0.001 0.000 0.228 200 S C 0.924 175.621 174.600 0.161 0.000 1.014 200 S CA 0.538 58.782 58.200 0.073 0.000 0.950 200 S CB -0.375 62.844 63.200 0.033 0.000 0.784 200 S HN 0.426 nan 8.310 nan 0.000 0.504 201 F N 2.042 121.967 119.950 -0.040 0.000 3.100 201 F HA -0.259 4.269 4.527 0.001 0.000 0.284 201 F C 1.142 176.926 175.800 -0.027 0.000 0.875 201 F CA 0.617 58.587 58.000 -0.049 0.000 1.039 201 F CB -1.647 37.323 39.000 -0.050 0.000 1.111 201 F HN 0.497 nan 8.300 nan 0.000 0.575 202 S N -3.015 112.674 115.700 -0.018 0.000 2.900 202 S HA 0.271 4.741 4.470 0.001 0.000 0.253 202 S C 0.362 174.931 174.600 -0.052 0.000 1.029 202 S CA 0.190 58.380 58.200 -0.016 0.000 1.096 202 S CB 0.335 63.556 63.200 0.036 0.000 1.067 202 S HN 0.147 nan 8.310 nan 0.000 0.610 203 T N 2.900 117.395 114.554 -0.098 0.000 2.814 203 T HA 0.195 4.546 4.350 0.001 0.000 0.297 203 T C 1.082 175.729 174.700 -0.088 0.000 0.956 203 T CA -0.091 61.959 62.100 -0.083 0.000 1.123 203 T CB 1.352 70.163 68.868 -0.095 0.000 0.902 203 T HN 0.468 nan 8.240 nan 0.000 0.528 204 E N 2.750 122.919 120.200 -0.052 0.000 2.070 204 E HA -0.258 4.092 4.350 0.001 0.000 0.197 204 E C 1.389 177.959 176.600 -0.049 0.000 1.004 204 E CA 1.801 58.177 56.400 -0.040 0.000 0.805 204 E CB 0.147 29.834 29.700 -0.022 0.000 0.744 204 E HN 0.702 nan 8.360 nan 0.000 0.451 205 E N -0.362 119.806 120.200 -0.053 0.000 2.077 205 E HA -0.130 4.220 4.350 0.001 0.000 0.193 205 E C 2.120 178.679 176.600 -0.069 0.000 0.989 205 E CA 1.882 58.252 56.400 -0.050 0.000 0.800 205 E CB -0.221 29.451 29.700 -0.046 0.000 0.746 205 E HN 0.215 nan 8.360 nan 0.000 0.452 206 T N 0.882 115.372 114.554 -0.106 0.000 2.821 206 T HA -0.046 4.305 4.350 0.001 0.000 0.267 206 T C 1.852 176.438 174.700 -0.191 0.000 1.046 206 T CA 0.718 62.727 62.100 -0.153 0.000 1.139 206 T CB -0.171 68.575 68.868 -0.203 0.000 0.871 206 T HN 0.047 nan 8.240 nan 0.000 0.454 207 L N 0.234 121.343 121.223 -0.190 0.000 2.056 207 L HA -0.039 4.301 4.340 0.001 0.000 0.207 207 L C 2.423 179.285 176.870 -0.014 0.000 1.078 207 L CA 0.743 55.497 54.840 -0.143 0.000 0.749 207 L CB -0.492 41.513 42.059 -0.090 0.000 0.901 207 L HN 0.209 nan 8.230 nan 0.000 0.433 208 L N 0.122 121.337 121.223 -0.014 0.000 2.056 208 L HA -0.176 4.165 4.340 0.001 0.000 0.207 208 L C 2.305 179.189 176.870 0.024 0.000 1.078 208 L CA 1.686 56.535 54.840 0.016 0.000 0.749 208 L CB -0.798 41.262 42.059 0.003 0.000 0.901 208 L HN 0.240 nan 8.230 nan 0.000 0.433 209 N N -0.862 117.836 118.700 -0.004 0.000 2.104 209 N HA -0.152 4.589 4.740 0.001 0.000 0.190 209 N C 1.872 177.414 175.510 0.054 0.000 1.024 209 N CA 1.611 54.663 53.050 0.003 0.000 0.853 209 N CB -0.292 38.178 38.487 -0.027 0.000 1.008 209 N HN 0.333 nan 8.380 nan 0.000 0.424 210 S N 0.960 116.691 115.700 0.051 0.000 2.383 210 S HA 0.067 4.538 4.470 0.001 0.000 0.227 210 S C 2.123 176.899 174.600 0.293 0.000 1.026 210 S CA 0.428 58.716 58.200 0.146 0.000 0.981 210 S CB -0.057 63.075 63.200 -0.114 0.000 0.818 210 S HN 0.258 nan 8.310 nan 0.000 0.472 211 I N 1.384 122.108 120.570 0.257 0.000 2.226 211 I HA -0.169 4.002 4.170 0.001 0.000 0.245 211 I C 2.371 178.580 176.117 0.154 0.000 1.100 211 I CA 0.930 62.351 61.300 0.202 0.000 1.374 211 I CB -0.324 37.756 38.000 0.133 0.000 1.057 211 I HN 0.202 nan 8.210 nan 0.000 0.413 212 S N 0.578 116.356 115.700 0.131 0.000 2.368 212 S HA -0.103 4.367 4.470 0.001 0.000 0.224 212 S C 2.254 176.964 174.600 0.184 0.000 1.029 212 S CA 1.200 59.471 58.200 0.119 0.000 0.988 212 S CB -0.307 62.929 63.200 0.061 0.000 0.838 212 S HN 0.531 nan 8.310 nan 0.000 0.462 213 A N 1.871 124.818 122.820 0.211 0.000 1.902 213 A HA -0.110 4.211 4.320 0.001 0.000 0.217 213 A C 2.074 180.004 177.584 0.577 0.000 1.181 213 A CA 1.560 53.787 52.037 0.316 0.000 0.623 213 A CB -0.543 18.622 19.000 0.274 0.000 0.818 213 A HN 0.431 nan 8.150 nan 0.000 0.443 214 R N -0.231 120.576 120.500 0.512 0.000 2.081 214 R HA -0.184 4.156 4.340 0.001 0.000 0.235 214 R C 2.214 178.678 176.300 0.273 0.000 1.131 214 R CA 1.782 58.109 56.100 0.379 0.000 0.960 214 R CB -0.290 30.039 30.300 0.048 0.000 0.856 214 R HN 0.735 nan 8.270 nan 0.000 0.436 215 E N -0.527 119.806 120.200 0.221 0.000 2.077 215 E HA -0.249 4.102 4.350 0.001 0.000 0.193 215 E C 1.698 178.438 176.600 0.234 0.000 0.989 215 E CA 1.515 58.017 56.400 0.170 0.000 0.800 215 E CB -0.340 29.441 29.700 0.134 0.000 0.746 215 E HN 0.538 nan 8.360 nan 0.000 0.452 216 W N 1.052 122.402 121.300 0.083 0.000 2.355 216 W HA -0.221 4.440 4.660 0.001 0.000 0.309 216 W C 2.000 178.568 176.519 0.081 0.000 1.206 216 W CA 1.517 58.901 57.345 0.064 0.000 1.284 216 W CB -0.454 29.032 29.460 0.043 0.000 1.145 216 W HN 0.208 nan 8.180 nan 0.000 0.502 217 L N 0.707 122.031 121.223 0.168 0.000 2.046 217 L HA -0.137 4.203 4.340 0.001 0.000 0.208 217 L C 2.368 179.258 176.870 0.033 0.000 1.077 217 L CA 1.951 56.742 54.840 -0.082 0.000 0.747 217 L CB -0.780 41.427 42.059 0.248 0.000 0.896 217 L HN 0.110 nan 8.230 nan 0.000 0.432 218 L N -0.854 120.427 121.223 0.097 0.000 2.217 218 L HA -0.145 4.196 4.340 0.001 0.000 0.211 218 L C 2.122 179.007 176.870 0.025 0.000 1.107 218 L CA 1.226 56.106 54.840 0.067 0.000 0.783 218 L CB -0.723 41.360 42.059 0.041 0.000 0.919 218 L HN 0.367 nan 8.230 nan 0.000 0.442 219 D N -0.376 120.028 120.400 0.008 0.000 2.149 219 D HA -0.282 4.359 4.640 0.001 0.000 0.198 219 D C 2.084 178.338 176.300 -0.075 0.000 0.990 219 D CA 1.443 55.431 54.000 -0.020 0.000 0.839 219 D CB 0.175 40.978 40.800 0.005 0.000 0.948 219 D HN 0.357 nan 8.370 nan 0.000 0.460 220 H N -1.726 117.193 119.070 -0.251 0.000 2.307 220 H HA -0.061 4.495 4.556 0.000 0.000 0.303 220 H C 1.355 176.534 175.328 -0.249 0.000 1.073 220 H CA 1.766 57.603 56.048 -0.352 0.000 1.338 220 H CB -0.263 29.110 29.762 -0.648 0.000 1.389 220 H HN 0.197 nan 8.280 nan 0.000 0.503 221 Y N 0.535 120.745 120.300 -0.151 0.000 2.420 221 Y HA 0.069 4.620 4.550 0.001 0.000 0.292 221 Y C 0.704 176.546 175.900 -0.096 0.000 1.119 221 Y CA 1.006 59.035 58.100 -0.118 0.000 1.229 221 Y CB 0.219 38.664 38.460 -0.025 0.000 1.026 221 Y HN 0.302 nan 8.280 nan 0.000 0.554 222 E N 0.546 120.783 120.200 0.062 0.000 2.476 222 E HA -0.256 4.094 4.350 0.001 0.000 0.251 222 E C -0.877 175.735 176.600 0.020 0.000 1.130 222 E CA 0.782 57.193 56.400 0.018 0.000 0.736 222 E CB -1.179 28.515 29.700 -0.009 0.000 1.298 222 E HN 0.263 nan 8.360 nan 0.000 0.400 223 D N -0.559 119.837 120.400 -0.007 0.000 2.613 223 D HA 0.134 4.774 4.640 0.001 0.000 0.230 223 D C 0.545 176.718 176.300 -0.212 0.000 1.365 223 D CA -0.350 53.602 54.000 -0.080 0.000 0.976 223 D CB 0.935 41.717 40.800 -0.030 0.000 1.415 223 D HN 0.019 nan 8.370 nan 0.000 0.589 224 E N 1.715 121.823 120.200 -0.152 0.000 2.147 224 E HA -0.229 4.121 4.350 0.001 0.000 0.199 224 E C 1.202 177.654 176.600 -0.247 0.000 1.005 224 E CA 1.286 57.588 56.400 -0.162 0.000 0.810 224 E CB 0.262 29.893 29.700 -0.114 0.000 0.736 224 E HN 0.431 nan 8.360 nan 0.000 0.460 225 K N 0.191 120.402 120.400 -0.314 0.000 2.360 225 K HA -0.055 4.265 4.320 0.001 0.000 0.201 225 K C 2.021 178.200 176.600 -0.701 0.000 1.046 225 K CA 0.742 56.816 56.287 -0.354 0.000 0.945 225 K CB -0.021 32.394 32.500 -0.142 0.000 0.750 225 K HN 0.102 nan 8.250 nan 0.000 0.464 226 A N 0.978 123.123 122.820 -1.126 0.000 2.067 226 A HA -0.086 4.235 4.320 0.001 0.000 0.219 226 A C 2.215 179.652 177.584 -0.245 0.000 1.158 226 A CA 0.953 52.295 52.037 -1.158 0.000 0.661 226 A CB -0.403 17.838 19.000 -1.265 0.000 0.801 226 A HN 0.064 nan 8.150 nan 0.000 0.452 227 V N -0.145 119.697 119.914 -0.120 0.000 2.469 227 V HA -0.295 3.825 4.120 0.001 0.000 0.251 227 V C 3.004 179.193 176.094 0.158 0.000 1.064 227 V CA 1.817 64.202 62.300 0.142 0.000 1.066 227 V CB -1.136 30.693 31.823 0.010 0.000 0.667 227 V HN 0.622 nan 8.190 nan 0.000 0.461 228 A N 0.482 123.288 122.820 -0.023 0.000 1.978 228 A HA -0.235 4.085 4.320 0.001 0.000 0.220 228 A C 1.882 179.548 177.584 0.137 0.000 1.170 228 A CA 2.323 54.308 52.037 -0.088 0.000 0.636 228 A CB -0.608 18.337 19.000 -0.092 0.000 0.810 228 A HN 0.656 nan 8.150 nan 0.000 0.448 229 N N -1.405 117.365 118.700 0.118 0.000 2.336 229 N HA 0.073 4.813 4.740 0.001 0.000 0.189 229 N C 0.801 176.347 175.510 0.059 0.000 1.113 229 N CA 0.459 53.530 53.050 0.034 0.000 0.858 229 N CB 0.223 38.620 38.487 -0.150 0.000 0.970 229 N HN 0.577 nan 8.380 nan 0.000 0.471 230 H N -1.825 117.494 119.070 0.415 0.000 3.233 230 H HA 0.280 4.836 4.556 0.001 0.000 0.263 230 H C -0.739 174.598 175.328 0.015 0.000 1.168 230 H CA -0.005 56.184 56.048 0.235 0.000 1.159 230 H CB 0.758 30.620 29.762 0.168 0.000 1.593 230 H HN 0.035 nan 8.280 nan 0.000 0.580 231 F N 1.408 121.571 119.950 0.355 0.000 2.556 231 F HA 0.395 4.922 4.527 0.001 0.000 0.314 231 F C 0.120 176.124 175.800 0.339 0.000 1.106 231 F CA -1.139 57.031 58.000 0.283 0.000 0.911 231 F CB 2.166 41.320 39.000 0.257 0.000 1.190 231 F HN -0.234 nan 8.300 nan 0.000 0.448 232 V N 0.098 120.268 119.914 0.427 0.000 3.126 232 V HA 1.035 5.156 4.120 0.001 0.000 0.314 232 V C -1.035 175.269 176.094 0.351 0.000 1.138 232 V CA -1.110 61.444 62.300 0.425 0.000 1.034 232 V CB 1.508 33.535 31.823 0.341 0.000 1.075 232 V HN 0.997 nan 8.190 nan 0.000 0.442 233 A N 2.164 125.181 122.820 0.329 0.000 2.475 233 A HA 0.939 5.259 4.320 0.001 0.000 0.301 233 A C -1.022 176.691 177.584 0.215 0.000 1.059 233 A CA -0.726 51.459 52.037 0.246 0.000 0.710 233 A CB 1.537 20.596 19.000 0.097 0.000 1.288 233 A HN 0.987 nan 8.150 nan 0.000 0.408 234 I N 1.412 122.091 120.570 0.181 0.000 2.439 234 I HA 0.628 4.798 4.170 0.001 0.000 0.285 234 I C 0.008 176.178 176.117 0.088 0.000 1.021 234 I CA -0.240 61.129 61.300 0.115 0.000 1.091 234 I CB 1.786 39.839 38.000 0.088 0.000 1.242 234 I HN 0.570 nan 8.210 nan 0.000 0.439 235 S N 2.499 118.189 115.700 -0.017 0.000 2.587 235 S HA 0.319 4.789 4.470 0.001 0.000 0.269 235 S C 0.409 174.933 174.600 -0.128 0.000 1.154 235 S CA -0.062 58.127 58.200 -0.019 0.000 0.824 235 S CB 1.705 64.884 63.200 -0.035 0.000 1.118 235 S HN 0.684 nan 8.310 nan 0.000 0.462 236 S N 1.056 116.695 115.700 -0.101 0.000 2.575 236 S HA 0.322 4.793 4.470 0.001 0.000 0.215 236 S C 0.017 174.553 174.600 -0.106 0.000 0.966 236 S CA -0.072 58.039 58.200 -0.147 0.000 0.911 236 S CB -0.117 63.012 63.200 -0.118 0.000 0.780 236 S HN 0.435 nan 8.310 nan 0.000 0.514 237 K N 2.021 122.372 120.400 -0.083 0.000 2.606 237 K HA 0.413 4.733 4.320 0.001 0.000 0.196 237 K C 0.342 176.858 176.600 -0.141 0.000 1.048 237 K CA -0.204 56.045 56.287 -0.063 0.000 1.017 237 K CB 0.678 33.188 32.500 0.016 0.000 1.413 237 K HN 0.291 nan 8.250 nan 0.000 0.568 238 L N -0.051 121.081 121.223 -0.150 0.000 2.201 238 L HA -0.158 4.182 4.340 0.001 0.000 0.212 238 L C 1.013 177.796 176.870 -0.145 0.000 1.105 238 L CA 1.012 55.741 54.840 -0.185 0.000 0.775 238 L CB -0.073 41.896 42.059 -0.150 0.000 0.913 238 L HN 0.309 nan 8.230 nan 0.000 0.440 239 D N 0.586 120.935 120.400 -0.086 0.000 2.178 239 D HA -0.147 4.493 4.640 0.001 0.000 0.201 239 D C 2.154 178.431 176.300 -0.038 0.000 0.980 239 D CA 1.126 55.098 54.000 -0.048 0.000 0.842 239 D CB 0.061 40.851 40.800 -0.017 0.000 0.948 239 D HN 0.283 nan 8.370 nan 0.000 0.472 240 K N 0.162 120.537 120.400 -0.042 0.000 2.155 240 K HA -0.012 4.308 4.320 0.001 0.000 0.203 240 K C 2.115 178.688 176.600 -0.045 0.000 1.052 240 K CA 0.330 56.638 56.287 0.034 0.000 0.948 240 K CB 0.176 32.761 32.500 0.142 0.000 0.728 240 K HN -0.003 nan 8.250 nan 0.000 0.448 241 V N 2.041 121.714 119.914 -0.401 0.000 2.295 241 V HA -0.257 3.863 4.120 0.001 0.000 0.246 241 V C 2.034 178.059 176.094 -0.114 0.000 1.049 241 V CA 1.690 63.640 62.300 -0.584 0.000 1.024 241 V CB -0.408 30.983 31.823 -0.720 0.000 0.648 241 V HN 0.280 nan 8.190 nan 0.000 0.447 242 K N 0.054 120.400 120.400 -0.089 0.000 2.044 242 K HA -0.280 4.040 4.320 0.001 0.000 0.210 242 K C 2.248 178.860 176.600 0.020 0.000 1.049 242 K CA 2.023 58.296 56.287 -0.024 0.000 0.927 242 K CB -0.285 32.196 32.500 -0.033 0.000 0.713 242 K HN 0.558 nan 8.250 nan 0.000 0.443 243 E N 0.316 120.540 120.200 0.040 0.000 2.160 243 E HA -0.221 4.130 4.350 0.001 0.000 0.195 243 E C 1.783 178.441 176.600 0.097 0.000 0.991 243 E CA 0.970 57.406 56.400 0.060 0.000 0.810 243 E CB -0.096 29.649 29.700 0.075 0.000 0.742 243 E HN 0.292 nan 8.360 nan 0.000 0.466 244 F N -0.356 119.616 119.950 0.037 0.000 2.325 244 F HA 0.055 4.582 4.527 0.001 0.000 0.299 244 F C 1.401 177.192 175.800 -0.014 0.000 1.090 244 F CA 1.721 59.758 58.000 0.063 0.000 1.392 244 F CB 0.446 39.587 39.000 0.236 0.000 1.053 244 F HN 0.168 nan 8.300 nan 0.000 0.521 245 G N 0.624 109.452 108.800 0.047 0.000 2.183 245 G HA2 -0.148 3.812 3.960 0.001 0.000 0.168 245 G HA3 -0.148 3.812 3.960 0.001 0.000 0.168 245 G C -0.015 174.887 174.900 0.004 0.000 1.008 245 G CA -0.080 44.983 45.100 -0.062 0.000 0.677 245 G HN 0.272 nan 8.290 nan 0.000 0.498 246 I N 2.381 123.011 120.570 0.100 0.000 2.359 246 I HA 0.392 4.563 4.170 0.001 0.000 0.294 246 I C 0.310 176.436 176.117 0.015 0.000 0.987 246 I CA -0.938 60.397 61.300 0.057 0.000 1.225 246 I CB 1.368 39.455 38.000 0.145 0.000 1.366 246 I HN 0.303 nan 8.210 nan 0.000 0.466 247 D N 5.128 125.522 120.400 -0.010 0.000 2.383 247 D HA 0.024 4.664 4.640 0.001 0.000 0.248 247 D C 0.838 177.179 176.300 0.069 0.000 1.170 247 D CA -0.549 53.467 54.000 0.027 0.000 0.977 247 D CB 0.906 41.725 40.800 0.031 0.000 1.120 247 D HN 0.308 nan 8.370 nan 0.000 0.481 248 L N 0.015 121.252 121.223 0.024 0.000 2.079 248 L HA -0.118 4.223 4.340 0.001 0.000 0.210 248 L C 1.950 178.800 176.870 -0.034 0.000 1.081 248 L CA 1.901 56.727 54.840 -0.024 0.000 0.752 248 L CB -1.134 40.903 42.059 -0.037 0.000 0.896 248 L HN 0.668 nan 8.230 nan 0.000 0.433 249 E N -1.073 119.149 120.200 0.038 0.000 2.268 249 E HA -0.207 4.143 4.350 0.001 0.000 0.195 249 E C 1.212 177.758 176.600 -0.089 0.000 0.995 249 E CA 1.246 57.630 56.400 -0.028 0.000 0.836 249 E CB -0.166 29.537 29.700 0.005 0.000 0.763 249 E HN 0.681 nan 8.360 nan 0.000 0.491 250 H N -1.867 117.206 119.070 0.005 0.000 2.520 250 H HA 0.333 4.889 4.556 0.001 0.000 0.284 250 H C -0.575 174.800 175.328 0.077 0.000 1.037 250 H CA -0.277 55.859 56.048 0.146 0.000 1.168 250 H CB -0.029 29.878 29.762 0.242 0.000 1.497 250 H HN 0.025 nan 8.280 nan 0.000 0.547 251 C N 0.886 120.128 119.300 -0.097 0.000 2.355 251 C HA 0.424 4.884 4.460 0.001 0.000 0.332 251 C C -0.571 174.146 174.990 -0.456 0.000 1.255 251 C CA -0.717 58.220 59.018 -0.136 0.000 1.792 251 C CB -0.274 27.376 27.740 -0.151 0.000 2.300 251 C HN 0.430 nan 8.230 nan 0.000 0.515 252 Y N 2.550 122.814 120.300 -0.059 0.000 2.338 252 Y HA 0.399 4.949 4.550 0.001 0.000 0.328 252 Y C 0.627 176.422 175.900 -0.175 0.000 0.965 252 Y CA -0.606 57.440 58.100 -0.091 0.000 1.208 252 Y CB 0.966 39.393 38.460 -0.055 0.000 1.132 252 Y HN 0.650 nan 8.280 nan 0.000 0.469 256 D N 0.620 120.897 120.400 -0.206 0.000 2.182 256 D HA -0.141 4.500 4.640 0.001 0.000 0.201 256 D C 1.920 178.251 176.300 0.052 0.000 0.986 256 D CA 1.827 55.806 54.000 -0.036 0.000 0.847 256 D CB -0.096 40.746 40.800 0.070 0.000 0.942 256 D HN 0.443 nan 8.370 nan 0.000 0.467 257 W N 0.366 121.778 121.300 0.186 0.000 3.292 257 W HA 0.230 4.891 4.660 0.001 0.000 0.263 257 W C -0.467 176.138 176.519 0.144 0.000 1.318 257 W CA -0.209 57.204 57.345 0.113 0.000 1.663 257 W CB -0.456 29.026 29.460 0.037 0.000 1.114 257 W HN -0.285 nan 8.180 nan 0.000 0.706 258 V N 2.823 122.886 119.914 0.248 0.000 2.320 258 V HA 0.403 4.524 4.120 0.001 0.000 0.265 258 V C 1.069 177.314 176.094 0.252 0.000 1.048 258 V CA -0.610 61.877 62.300 0.312 0.000 0.865 258 V CB 0.143 32.105 31.823 0.232 0.000 1.043 258 V HN 0.143 nan 8.190 nan 0.000 0.474 259 G N 3.323 112.324 108.800 0.335 0.000 2.432 259 G HA2 0.360 4.320 3.960 0.001 0.000 0.239 259 G HA3 0.360 4.320 3.960 0.001 0.000 0.239 259 G C 1.135 176.168 174.900 0.222 0.000 1.291 259 G CA 0.204 45.489 45.100 0.308 0.000 0.863 259 G HN 0.856 nan 8.290 nan 0.000 0.560 260 G N 1.956 110.816 108.800 0.099 0.000 2.476 260 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 260 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 260 G C 1.686 176.565 174.900 -0.034 0.000 1.164 260 G CA 0.920 46.037 45.100 0.028 0.000 0.768 260 G HN 0.800 nan 8.290 nan 0.000 0.560 261 R N -0.805 119.602 120.500 -0.154 0.000 2.339 261 R HA 0.098 4.438 4.340 0.001 0.000 0.199 261 R C 0.253 176.190 176.300 -0.606 0.000 1.018 261 R CA 0.604 56.451 56.100 -0.422 0.000 1.036 261 R CB -0.293 29.664 30.300 -0.571 0.000 0.899 261 R HN 0.453 nan 8.270 nan 0.000 0.473 262 Y N 0.392 120.716 120.300 0.041 0.000 2.715 262 Y HA 0.211 4.762 4.550 0.001 0.000 0.255 262 Y C 1.138 177.222 175.900 0.307 0.000 1.139 262 Y CA -0.454 57.720 58.100 0.123 0.000 1.151 262 Y CB 1.117 39.455 38.460 -0.203 0.000 1.201 262 Y HN 0.192 nan 8.280 nan 0.000 0.556 263 S N -0.806 115.052 115.700 0.263 0.000 2.524 263 S HA -0.005 4.465 4.470 0.001 0.000 0.215 263 S C 1.601 176.286 174.600 0.140 0.000 0.986 263 S CA 0.050 58.397 58.200 0.245 0.000 0.911 263 S CB -0.487 62.806 63.200 0.155 0.000 0.805 263 S HN 0.415 nan 8.310 nan 0.000 0.501 264 L N -1.358 119.816 121.223 -0.082 0.000 2.265 264 L HA 0.301 4.642 4.340 0.001 0.000 0.215 264 L C 1.816 178.639 176.870 -0.078 0.000 1.117 264 L CA 0.928 55.647 54.840 -0.201 0.000 0.782 264 L CB -1.552 40.241 42.059 -0.444 0.000 0.914 264 L HN 0.364 nan 8.230 nan 0.000 0.441 265 W N 0.886 122.341 121.300 0.258 0.000 2.678 265 W HA 0.179 4.839 4.660 0.001 0.000 0.256 265 W C 1.893 178.657 176.519 0.408 0.000 1.280 265 W CA 0.406 57.911 57.345 0.268 0.000 1.345 265 W CB -0.731 28.845 29.460 0.193 0.000 1.118 265 W HN 0.362 nan 8.180 nan 0.000 0.629 266 S N -0.772 115.241 115.700 0.522 0.000 2.566 266 S HA 0.237 4.707 4.470 0.001 0.000 0.277 266 S C 1.354 176.138 174.600 0.307 0.000 1.150 266 S CA -0.087 58.382 58.200 0.448 0.000 1.032 266 S CB 0.715 64.134 63.200 0.366 0.000 1.157 266 S HN -0.051 nan 8.310 nan 0.000 0.507 267 S N 0.515 116.331 115.700 0.194 0.000 2.469 267 S HA 0.004 4.475 4.470 0.001 0.000 0.238 267 S C 1.687 176.292 174.600 0.007 0.000 0.998 267 S CA 0.458 58.699 58.200 0.068 0.000 0.957 267 S CB -0.645 62.591 63.200 0.060 0.000 0.764 267 S HN 0.536 nan 8.310 nan 0.000 0.514 268 I N 1.707 122.310 120.570 0.055 0.000 2.423 268 I HA -0.086 4.085 4.170 0.001 0.000 0.254 268 I C 1.794 177.915 176.117 0.007 0.000 1.151 268 I CA 0.511 61.832 61.300 0.036 0.000 1.421 268 I CB -1.959 36.076 38.000 0.059 0.000 1.079 268 I HN 0.222 nan 8.210 nan 0.000 0.431 272 I N 3.265 123.842 120.570 0.011 0.000 2.142 272 I HA -0.035 4.136 4.170 0.001 0.000 0.240 272 I C 3.038 179.128 176.117 -0.046 0.000 1.078 272 I CA 1.669 62.981 61.300 0.020 0.000 1.343 272 I CB -0.520 37.535 38.000 0.092 0.000 1.046 272 I HN 0.531 nan 8.210 nan 0.000 0.405 273 A N 0.513 123.202 122.820 -0.218 0.000 1.972 273 A HA -0.196 4.124 4.320 0.001 0.000 0.219 273 A C 2.053 179.543 177.584 -0.157 0.000 1.169 273 A CA 1.463 53.356 52.037 -0.240 0.000 0.635 273 A CB -0.927 17.819 19.000 -0.422 0.000 0.810 273 A HN 0.347 nan 8.150 nan 0.000 0.446 274 F N -0.083 119.780 119.950 -0.146 0.000 2.365 274 F HA -0.025 4.503 4.527 0.001 0.000 0.300 274 F C 2.545 178.246 175.800 -0.166 0.000 1.090 274 F CA 0.618 58.528 58.000 -0.151 0.000 1.408 274 F CB -0.303 38.583 39.000 -0.190 0.000 1.060 274 F HN 0.287 nan 8.300 nan 0.000 0.534 275 A N 0.140 122.940 122.820 -0.033 0.000 1.887 275 A HA 0.080 4.401 4.320 0.001 0.000 0.212 275 A C 1.942 179.418 177.584 -0.181 0.000 1.198 275 A CA 1.298 53.170 52.037 -0.275 0.000 0.628 275 A CB -0.694 17.982 19.000 -0.541 0.000 0.847 275 A HN 0.386 nan 8.150 nan 0.000 0.449 276 I N -4.298 116.246 120.570 -0.044 0.000 4.018 276 I HA 0.539 4.709 4.170 0.001 0.000 0.337 276 I C 0.769 176.938 176.117 0.086 0.000 1.327 276 I CA 0.214 61.563 61.300 0.082 0.000 1.100 276 I CB -0.007 38.080 38.000 0.144 0.000 1.025 276 I HN 0.451 nan 8.210 nan 0.000 0.396 277 G N 1.269 110.099 108.800 0.049 0.000 2.712 277 G HA2 -0.336 3.625 3.960 0.001 0.000 0.686 277 G HA3 -0.336 3.625 3.960 0.001 0.000 0.686 277 G C -0.374 174.571 174.900 0.074 0.000 1.321 277 G CA 0.121 45.262 45.100 0.068 0.000 0.813 277 G HN 0.303 nan 8.290 nan 0.000 0.599 278 Y N 0.430 120.742 120.300 0.021 0.000 2.337 278 Y HA 0.018 4.568 4.550 0.001 0.000 0.293 278 Y C 2.607 178.592 175.900 0.142 0.000 1.123 278 Y CA 2.257 60.396 58.100 0.065 0.000 1.201 278 Y CB 0.141 38.603 38.460 0.003 0.000 1.011 278 Y HN 0.612 nan 8.280 nan 0.000 0.545 279 D N -0.223 120.280 120.400 0.173 0.000 2.104 279 D HA -0.202 4.439 4.640 0.001 0.000 0.194 279 D C 1.697 178.036 176.300 0.064 0.000 0.994 279 D CA 1.348 55.426 54.000 0.130 0.000 0.830 279 D CB -0.348 40.524 40.800 0.120 0.000 0.959 279 D HN 0.337 nan 8.370 nan 0.000 0.452 280 N N -0.078 118.656 118.700 0.058 0.000 2.244 280 N HA -0.131 4.609 4.740 0.001 0.000 0.183 280 N C 1.667 177.168 175.510 -0.016 0.000 1.016 280 N CA 0.237 53.299 53.050 0.020 0.000 0.866 280 N CB -0.426 38.085 38.487 0.039 0.000 0.980 280 N HN 0.177 nan 8.380 nan 0.000 0.430 281 F N 2.365 122.189 119.950 -0.209 0.000 2.134 281 F HA -0.123 4.405 4.527 0.001 0.000 0.299 281 F C 2.076 177.743 175.800 -0.221 0.000 1.097 281 F CA 1.368 59.191 58.000 -0.295 0.000 1.264 281 F CB -0.076 38.568 39.000 -0.593 0.000 1.001 281 F HN 0.051 nan 8.300 nan 0.000 0.479 282 E N -0.009 120.075 120.200 -0.194 0.000 2.110 282 E HA -0.225 4.125 4.350 0.001 0.000 0.193 282 E C 2.118 178.683 176.600 -0.057 0.000 0.988 282 E CA 1.360 57.703 56.400 -0.095 0.000 0.804 282 E CB -0.161 29.578 29.700 0.065 0.000 0.745 282 E HN 0.461 nan 8.360 nan 0.000 0.458 283 K N 0.513 120.902 120.400 -0.019 0.000 2.057 283 K HA -0.138 4.182 4.320 0.001 0.000 0.206 283 K C 2.255 178.873 176.600 0.031 0.000 1.050 283 K CA 0.694 57.025 56.287 0.073 0.000 0.935 283 K CB -0.197 32.347 32.500 0.074 0.000 0.715 283 K HN 0.032 nan 8.250 nan 0.000 0.439 284 L N 1.326 122.499 121.223 -0.084 0.000 1.990 284 L HA -0.214 4.127 4.340 0.001 0.000 0.213 284 L C 1.931 178.788 176.870 -0.023 0.000 1.072 284 L CA 1.644 56.433 54.840 -0.085 0.000 0.755 284 L CB -0.412 41.532 42.059 -0.192 0.000 0.889 284 L HN 0.032 nan 8.230 nan 0.000 0.432 285 L N -0.238 120.904 121.223 -0.134 0.000 2.093 285 L HA -0.084 4.256 4.340 0.001 0.000 0.208 285 L C 2.652 179.498 176.870 -0.040 0.000 1.085 285 L CA 1.839 56.650 54.840 -0.049 0.000 0.755 285 L CB -1.405 40.580 42.059 -0.124 0.000 0.904 285 L HN 0.366 nan 8.230 nan 0.000 0.435 286 A N -0.559 122.254 122.820 -0.012 0.000 1.969 286 A HA -0.059 4.261 4.320 0.001 0.000 0.218 286 A C 2.427 179.907 177.584 -0.175 0.000 1.169 286 A CA 1.504 53.581 52.037 0.067 0.000 0.635 286 A CB -1.232 17.904 19.000 0.225 0.000 0.810 286 A HN 0.423 nan 8.150 nan 0.000 0.445 287 G N -0.456 108.000 108.800 -0.574 0.000 2.402 287 G HA2 0.026 3.987 3.960 0.001 0.000 0.216 287 G HA3 0.026 3.987 3.960 0.001 0.000 0.216 287 G C 1.730 176.394 174.900 -0.393 0.000 1.162 287 G CA 1.338 45.795 45.100 -1.070 0.000 0.777 287 G HN 0.749 nan 8.290 nan 0.000 0.539 288 A N 0.124 122.807 122.820 -0.229 0.000 1.877 288 A HA -0.062 4.258 4.320 0.001 0.000 0.216 288 A C 2.203 179.688 177.584 -0.165 0.000 1.186 288 A CA 1.733 53.611 52.037 -0.264 0.000 0.620 288 A CB -0.775 17.812 19.000 -0.688 0.000 0.822 288 A HN 0.465 nan 8.150 nan 0.000 0.443 289 Y N 2.087 122.284 120.300 -0.172 0.000 2.151 289 Y HA -0.294 4.257 4.550 0.001 0.000 0.284 289 Y C 2.894 178.804 175.900 0.017 0.000 1.166 289 Y CA 2.053 60.120 58.100 -0.055 0.000 1.163 289 Y CB -0.495 37.950 38.460 -0.025 0.000 0.974 289 Y HN 0.452 nan 8.280 nan 0.000 0.511 290 S N -1.154 114.514 115.700 -0.053 0.000 2.383 290 S HA -0.189 4.281 4.470 0.001 0.000 0.229 290 S C 1.987 176.565 174.600 -0.036 0.000 1.030 290 S CA 1.644 59.865 58.200 0.035 0.000 1.002 290 S CB -1.233 62.139 63.200 0.286 0.000 0.829 290 S HN 0.245 nan 8.310 nan 0.000 0.467 291 V N 2.637 122.492 119.914 -0.098 0.000 2.453 291 V HA -0.105 4.015 4.120 0.001 0.000 0.247 291 V C 2.432 178.541 176.094 0.024 0.000 1.048 291 V CA 1.913 64.114 62.300 -0.164 0.000 1.049 291 V CB -0.846 30.904 31.823 -0.122 0.000 0.672 291 V HN 0.431 nan 8.190 nan 0.000 0.457 292 D N 0.280 120.700 120.400 0.033 0.000 2.116 292 D HA -0.229 4.411 4.640 0.001 0.000 0.193 292 D C 2.116 178.359 176.300 -0.094 0.000 0.998 292 D CA 1.654 55.761 54.000 0.177 0.000 0.836 292 D CB -0.201 40.714 40.800 0.191 0.000 0.951 292 D HN 0.413 nan 8.370 nan 0.000 0.449 293 K N -0.242 119.944 120.400 -0.357 0.000 2.026 293 K HA -0.221 4.099 4.320 0.001 0.000 0.208 293 K C 2.225 178.719 176.600 -0.177 0.000 1.048 293 K CA 1.375 57.445 56.287 -0.361 0.000 0.929 293 K CB -0.148 32.096 32.500 -0.426 0.000 0.713 293 K HN 0.160 nan 8.250 nan 0.000 0.439 294 H N -0.475 118.485 119.070 -0.183 0.000 2.289 294 H HA -0.208 4.348 4.556 0.001 0.000 0.296 294 H C 1.835 177.123 175.328 -0.067 0.000 1.091 294 H CA 2.432 58.399 56.048 -0.136 0.000 1.274 294 H CB -0.412 29.159 29.762 -0.319 0.000 1.364 294 H HN 0.294 nan 8.280 nan 0.000 0.490 295 F N 1.358 121.178 119.950 -0.217 0.000 2.134 295 F HA -0.065 4.462 4.527 0.001 0.000 0.299 295 F C 2.337 177.981 175.800 -0.261 0.000 1.097 295 F CA 1.893 59.750 58.000 -0.239 0.000 1.264 295 F CB -0.467 38.414 39.000 -0.198 0.000 1.001 295 F HN 0.146 nan 8.300 nan 0.000 0.479 296 K N 0.497 120.614 120.400 -0.472 0.000 2.148 296 K HA -0.122 4.199 4.320 0.001 0.000 0.204 296 K C 1.683 178.004 176.600 -0.465 0.000 1.050 296 K CA 1.935 57.823 56.287 -0.665 0.000 0.942 296 K CB -0.217 31.719 32.500 -0.940 0.000 0.724 296 K HN 0.469 nan 8.250 nan 0.000 0.446 297 E N -0.910 119.074 120.200 -0.360 0.000 2.447 297 E HA 0.075 4.425 4.350 0.001 0.000 0.204 297 E C -0.415 176.045 176.600 -0.234 0.000 0.977 297 E CA 0.082 56.321 56.400 -0.267 0.000 0.950 297 E CB 0.913 30.491 29.700 -0.204 0.000 0.975 297 E HN 0.072 nan 8.360 nan 0.000 0.496 298 T N 2.561 116.950 114.554 -0.275 0.000 2.799 298 T HA 0.089 4.439 4.350 0.001 0.000 0.286 298 T C -0.117 174.483 174.700 -0.167 0.000 0.973 298 T CA -0.597 61.362 62.100 -0.234 0.000 1.035 298 T CB 1.112 69.748 68.868 -0.387 0.000 0.932 298 T HN 0.154 nan 8.240 nan 0.000 0.469 299 E N 2.753 122.868 120.200 -0.142 0.000 2.467 299 E HA -0.037 4.313 4.350 0.001 0.000 0.264 299 E C 0.043 176.650 176.600 0.012 0.000 1.020 299 E CA -0.391 55.915 56.400 -0.157 0.000 0.945 299 E CB 0.275 29.896 29.700 -0.131 0.000 0.942 299 E HN 0.379 nan 8.360 nan 0.000 0.449 300 F N 1.671 121.566 119.950 -0.092 0.000 2.161 300 F HA -0.203 4.325 4.527 0.001 0.000 0.300 300 F C 2.744 178.524 175.800 -0.033 0.000 1.089 300 F CA 1.412 59.368 58.000 -0.074 0.000 1.282 300 F CB -1.323 37.636 39.000 -0.068 0.000 1.010 300 F HN 0.640 nan 8.300 nan 0.000 0.485 301 S N -0.500 115.305 115.700 0.174 0.000 2.469 301 S HA -0.149 4.321 4.470 0.001 0.000 0.238 301 S C 1.321 176.012 174.600 0.152 0.000 0.998 301 S CA 0.958 59.244 58.200 0.142 0.000 0.957 301 S CB -0.445 62.820 63.200 0.109 0.000 0.764 301 S HN 0.445 nan 8.310 nan 0.000 0.514 302 K N 0.827 121.303 120.400 0.126 0.000 2.506 302 K HA 0.251 4.571 4.320 0.001 0.000 0.204 302 K C -0.442 176.247 176.600 0.148 0.000 1.045 302 K CA -0.229 56.148 56.287 0.150 0.000 1.074 302 K CB 0.236 32.807 32.500 0.117 0.000 0.842 302 K HN 0.226 nan 8.250 nan 0.000 0.514 303 N N 1.910 120.666 118.700 0.093 0.000 2.469 303 N HA 0.223 4.964 4.740 0.001 0.000 0.253 303 N C 0.810 176.366 175.510 0.076 0.000 0.970 303 N CA -0.105 52.967 53.050 0.037 0.000 0.940 303 N CB 0.776 39.281 38.487 0.030 0.000 1.128 303 N HN 0.004 nan 8.380 nan 0.000 0.503 304 I N 4.605 125.296 120.570 0.202 0.000 2.179 304 I HA -0.135 4.035 4.170 0.001 0.000 0.242 304 I C -0.743 175.133 176.117 -0.402 0.000 1.088 304 I CA 0.986 62.099 61.300 -0.311 0.000 1.357 304 I CB -0.850 36.843 38.000 -0.511 0.000 1.051 304 I HN 0.464 nan 8.210 nan 0.000 0.409 305 P HA -0.101 nan 4.420 nan 0.000 0.217 305 P C 1.949 179.131 177.300 -0.197 0.000 1.150 305 P CA 1.105 64.062 63.100 -0.239 0.000 0.832 305 P CB 0.011 31.553 31.700 -0.263 0.000 0.787 306 V N -0.251 119.596 119.914 -0.111 0.000 2.295 306 V HA -0.166 3.954 4.120 0.001 0.000 0.246 306 V C 1.752 177.714 176.094 -0.219 0.000 1.049 306 V CA 1.139 63.320 62.300 -0.198 0.000 1.024 306 V CB -0.833 30.822 31.823 -0.280 0.000 0.648 306 V HN 0.020 nan 8.190 nan 0.000 0.447 310 L N 0.778 121.858 121.223 -0.238 0.000 2.046 310 L HA -0.119 4.221 4.340 0.001 0.000 0.208 310 L C 2.473 179.308 176.870 -0.058 0.000 1.077 310 L CA 1.680 56.423 54.840 -0.162 0.000 0.747 310 L CB -0.476 41.509 42.059 -0.124 0.000 0.896 310 L HN 0.478 nan 8.230 nan 0.000 0.432 311 L N -0.550 120.625 121.223 -0.080 0.000 2.017 311 L HA -0.205 4.136 4.340 0.001 0.000 0.208 311 L C 2.892 179.743 176.870 -0.031 0.000 1.073 311 L CA 1.268 56.054 54.840 -0.091 0.000 0.745 311 L CB -0.768 41.285 42.059 -0.011 0.000 0.894 311 L HN 0.240 nan 8.230 nan 0.000 0.432 312 A N -0.586 122.281 122.820 0.078 0.000 1.858 312 A HA -0.194 4.126 4.320 0.001 0.000 0.216 312 A C 2.487 180.193 177.584 0.203 0.000 1.190 312 A CA 2.174 54.330 52.037 0.198 0.000 0.617 312 A CB -0.705 18.371 19.000 0.126 0.000 0.827 312 A HN 0.377 nan 8.150 nan 0.000 0.443 313 S N -1.649 114.078 115.700 0.045 0.000 2.402 313 S HA -0.121 4.349 4.470 0.001 0.000 0.229 313 S C 1.784 176.629 174.600 0.407 0.000 1.021 313 S CA 1.245 59.517 58.200 0.120 0.000 0.974 313 S CB -0.524 62.365 63.200 -0.518 0.000 0.800 313 S HN 0.681 nan 8.310 nan 0.000 0.484 314 Y N 1.588 122.013 120.300 0.208 0.000 2.145 314 Y HA -0.224 4.327 4.550 0.001 0.000 0.286 314 Y C 1.885 177.891 175.900 0.177 0.000 1.145 314 Y CA 1.240 59.430 58.100 0.150 0.000 1.148 314 Y CB -0.756 37.665 38.460 -0.065 0.000 0.981 314 Y HN 0.192 nan 8.280 nan 0.000 0.507 315 Y N 0.396 120.755 120.300 0.098 0.000 2.145 315 Y HA -0.206 4.344 4.550 0.001 0.000 0.286 315 Y C 3.104 179.055 175.900 0.084 0.000 1.145 315 Y CA 1.659 59.792 58.100 0.055 0.000 1.148 315 Y CB -1.345 37.255 38.460 0.233 0.000 0.981 315 Y HN 0.309 nan 8.280 nan 0.000 0.507 316 S N -1.746 114.159 115.700 0.341 0.000 2.447 316 S HA -0.183 4.287 4.470 0.001 0.000 0.233 316 S C 2.181 176.901 174.600 0.200 0.000 1.006 316 S CA 0.822 59.186 58.200 0.274 0.000 0.957 316 S CB -1.213 62.180 63.200 0.321 0.000 0.773 316 S HN 0.569 nan 8.310 nan 0.000 0.507 317 c N 1.872 120.598 118.600 0.210 0.000 2.543 317 c HA 0.057 4.627 4.570 0.001 0.000 0.281 317 c C 2.843 176.910 174.090 -0.037 0.000 1.276 317 c CA 1.371 57.778 56.329 0.131 0.000 1.700 317 c CB -1.228 41.404 42.510 0.204 0.000 2.093 317 c HN 0.633 nan 8.230 nan 0.000 0.488 318 T N -1.088 113.362 114.554 -0.173 0.000 3.009 318 T HA 0.059 4.410 4.350 0.001 0.000 0.258 318 T C 1.065 175.452 174.700 -0.523 0.000 1.063 318 T CA 1.176 63.044 62.100 -0.386 0.000 1.139 318 T CB -0.284 68.217 68.868 -0.612 0.000 0.890 318 T HN 0.662 nan 8.240 nan 0.000 0.471 319 Y N 1.312 121.404 120.300 -0.346 0.000 2.457 319 Y HA 0.269 4.819 4.550 0.001 0.000 0.263 319 Y C 0.821 176.577 175.900 -0.241 0.000 1.164 319 Y CA -0.852 56.984 58.100 -0.441 0.000 1.274 319 Y CB -0.582 37.269 38.460 -1.016 0.000 1.097 319 Y HN 0.192 nan 8.280 nan 0.000 0.523 320 N N -0.024 118.665 118.700 -0.020 0.000 2.708 320 N HA -0.198 4.542 4.740 0.001 0.000 0.249 320 N C -0.387 175.165 175.510 0.069 0.000 1.097 320 N CA 0.419 53.480 53.050 0.019 0.000 0.710 320 N CB -1.139 37.342 38.487 -0.010 0.000 1.032 320 N HN 0.273 nan 8.380 nan 0.000 0.551 321 S N -0.565 115.208 115.700 0.123 0.000 2.579 321 S HA 0.164 4.635 4.470 0.001 0.000 0.275 321 S C 0.721 175.410 174.600 0.149 0.000 1.345 321 S CA -0.261 58.050 58.200 0.184 0.000 1.031 321 S CB 1.662 65.054 63.200 0.321 0.000 0.892 321 S HN 0.331 nan 8.310 nan 0.000 0.529 322 Q N 0.356 120.233 119.800 0.129 0.000 2.118 322 Q HA 0.269 4.610 4.340 0.001 0.000 0.219 322 Q C -0.233 175.832 176.000 0.109 0.000 0.794 322 Q CA -0.172 55.685 55.803 0.091 0.000 1.035 322 Q CB 0.940 29.705 28.738 0.044 0.000 1.177 322 Q HN 0.909 nan 8.270 nan 0.000 0.478 323 S N -0.629 115.170 115.700 0.164 0.000 2.615 323 S HA 0.532 5.002 4.470 0.001 0.000 0.269 323 S C -1.434 173.302 174.600 0.226 0.000 1.161 323 S CA -0.852 57.488 58.200 0.233 0.000 0.817 323 S CB 2.108 65.504 63.200 0.325 0.000 1.131 323 S HN 0.078 nan 8.310 nan 0.000 0.467 324 Q N 0.048 119.955 119.800 0.178 0.000 2.331 324 Q HA 0.715 5.055 4.340 0.001 0.000 0.272 324 Q C -1.181 174.616 176.000 -0.339 0.000 1.062 324 Q CA -0.928 54.873 55.803 -0.003 0.000 0.806 324 Q CB 2.457 31.216 28.738 0.036 0.000 1.312 324 Q HN 1.028 nan 8.270 nan 0.000 0.431 325 A N 2.157 124.647 122.820 -0.549 0.000 2.305 325 A HA 0.698 5.018 4.320 0.001 0.000 0.322 325 A C -1.376 175.857 177.584 -0.585 0.000 1.187 325 A CA -0.432 50.982 52.037 -1.037 0.000 0.825 325 A CB 0.665 19.005 19.000 -1.099 0.000 1.164 325 A HN 0.507 nan 8.150 nan 0.000 0.498 326 L N 3.287 124.196 121.223 -0.524 0.000 2.349 326 L HA 0.640 4.980 4.340 0.001 0.000 0.278 326 L C -1.306 175.464 176.870 -0.167 0.000 0.996 326 L CA -0.198 54.498 54.840 -0.240 0.000 0.825 326 L CB 1.189 43.153 42.059 -0.160 0.000 1.243 326 L HN 0.575 nan 8.230 nan 0.000 0.412 327 L N 7.326 128.497 121.223 -0.087 0.000 2.433 327 L HA 0.486 4.826 4.340 0.001 0.000 0.256 327 L C -2.359 174.672 176.870 0.269 0.000 1.063 327 L CA -1.498 53.379 54.840 0.063 0.000 0.922 327 L CB 1.363 43.400 42.059 -0.035 0.000 1.238 327 L HN 0.449 nan 8.230 nan 0.000 0.466 328 P HA 0.145 nan 4.420 nan 0.000 0.287 328 P C -0.765 176.655 177.300 0.200 0.000 1.307 328 P CA -0.195 63.029 63.100 0.206 0.000 0.777 328 P CB 0.388 32.148 31.700 0.100 0.000 0.883 329 Y N 2.580 122.946 120.300 0.111 0.000 2.930 329 Y HA 0.256 4.806 4.550 0.001 0.000 0.386 329 Y C 0.442 176.373 175.900 0.051 0.000 1.185 329 Y CA 0.409 58.564 58.100 0.091 0.000 1.922 329 Y CB -0.163 38.359 38.460 0.103 0.000 2.006 329 Y HN 0.287 nan 8.280 nan 0.000 0.431 330 D N -0.165 120.281 120.400 0.077 0.000 2.871 330 D HA 0.046 4.687 4.640 0.001 0.000 0.209 330 D C 0.442 176.749 176.300 0.012 0.000 1.292 330 D CA -0.149 53.884 54.000 0.055 0.000 0.869 330 D CB 1.547 42.389 40.800 0.070 0.000 1.663 330 D HN 0.138 nan 8.370 nan 0.000 0.557 331 E N 1.956 122.160 120.200 0.007 0.000 2.171 331 E HA -0.170 4.180 4.350 0.001 0.000 0.197 331 E C 1.516 178.106 176.600 -0.017 0.000 0.997 331 E CA 1.038 57.426 56.400 -0.019 0.000 0.810 331 E CB 0.144 29.840 29.700 -0.008 0.000 0.738 331 E HN 0.487 nan 8.360 nan 0.000 0.467 332 R N 0.067 120.581 120.500 0.023 0.000 2.193 332 R HA -0.011 4.329 4.340 0.001 0.000 0.229 332 R C 1.727 178.035 176.300 0.013 0.000 1.110 332 R CA 0.489 56.604 56.100 0.026 0.000 0.988 332 R CB -0.129 30.208 30.300 0.062 0.000 0.871 332 R HN 0.116 nan 8.270 nan 0.000 0.458 333 L N 1.180 122.400 121.223 -0.005 0.000 2.737 333 L HA 0.065 4.405 4.340 0.001 0.000 0.236 333 L C 1.849 178.740 176.870 0.035 0.000 1.219 333 L CA -0.472 54.371 54.840 0.007 0.000 1.021 333 L CB -0.047 41.959 42.059 -0.088 0.000 1.291 333 L HN 0.379 nan 8.230 nan 0.000 0.470 334 C N -2.094 117.163 119.300 -0.072 0.000 2.419 334 C HA -0.143 4.318 4.460 0.001 0.000 0.283 334 C C 1.839 176.676 174.990 -0.255 0.000 1.373 334 C CA 0.182 59.076 59.018 -0.205 0.000 1.781 334 C CB -1.246 26.286 27.740 -0.347 0.000 1.886 334 C HN 0.522 nan 8.230 nan 0.000 0.520 335 Y N -1.192 119.148 120.300 0.068 0.000 2.485 335 Y HA 0.295 4.846 4.550 0.001 0.000 0.260 335 Y C 1.913 177.880 175.900 0.111 0.000 1.173 335 Y CA -0.780 57.353 58.100 0.055 0.000 1.252 335 Y CB -0.746 37.713 38.460 -0.002 0.000 1.123 335 Y HN 0.284 nan 8.280 nan 0.000 0.524 336 F N -0.216 119.784 119.950 0.084 0.000 2.113 336 F HA -0.165 4.362 4.527 0.001 0.000 0.297 336 F C 1.983 177.807 175.800 0.039 0.000 1.103 336 F CA 1.315 59.344 58.000 0.049 0.000 1.248 336 F CB -0.450 38.549 39.000 -0.002 0.000 0.999 336 F HN -0.144 nan 8.300 nan 0.000 0.475 337 V N 0.477 120.425 119.914 0.056 0.000 2.287 337 V HA -0.321 3.799 4.120 0.001 0.000 0.248 337 V C 2.118 178.167 176.094 -0.076 0.000 1.053 337 V CA 2.247 64.501 62.300 -0.076 0.000 1.027 337 V CB -0.741 31.074 31.823 -0.015 0.000 0.646 337 V HN 0.260 nan 8.190 nan 0.000 0.447 338 D N -1.124 119.290 120.400 0.024 0.000 2.123 338 D HA -0.214 4.427 4.640 0.001 0.000 0.196 338 D C 1.911 178.180 176.300 -0.051 0.000 0.992 338 D CA 1.660 55.671 54.000 0.018 0.000 0.833 338 D CB -0.333 40.533 40.800 0.111 0.000 0.954 338 D HN 0.601 nan 8.370 nan 0.000 0.455 339 Y N 1.166 121.377 120.300 -0.150 0.000 2.145 339 Y HA -0.114 4.436 4.550 0.001 0.000 0.286 339 Y C 2.165 177.894 175.900 -0.285 0.000 1.145 339 Y CA 1.347 59.319 58.100 -0.215 0.000 1.148 339 Y CB -0.359 37.973 38.460 -0.215 0.000 0.981 339 Y HN -0.090 nan 8.280 nan 0.000 0.507 340 L N 0.023 121.026 121.223 -0.368 0.000 2.291 340 L HA -0.198 4.143 4.340 0.001 0.000 0.214 340 L C 2.402 179.075 176.870 -0.329 0.000 1.120 340 L CA 1.005 55.581 54.840 -0.441 0.000 0.799 340 L CB -0.531 41.181 42.059 -0.579 0.000 0.925 340 L HN 0.353 nan 8.230 nan 0.000 0.446 341 Q N -0.307 119.342 119.800 -0.253 0.000 2.096 341 Q HA -0.308 4.033 4.340 0.001 0.000 0.204 341 Q C 2.181 178.058 176.000 -0.205 0.000 0.982 341 Q CA 1.883 57.583 55.803 -0.172 0.000 0.850 341 Q CB -0.114 28.557 28.738 -0.111 0.000 0.901 341 Q HN 0.532 nan 8.270 nan 0.000 0.422 342 Q N 0.037 119.661 119.800 -0.294 0.000 2.016 342 Q HA -0.172 4.168 4.340 0.001 0.000 0.200 342 Q C 2.088 177.866 176.000 -0.371 0.000 0.978 342 Q CA 1.320 56.932 55.803 -0.319 0.000 0.833 342 Q CB -0.178 28.333 28.738 -0.379 0.000 0.895 342 Q HN 0.373 nan 8.270 nan 0.000 0.427 343 A N 0.991 123.495 122.820 -0.526 0.000 1.892 343 A HA -0.185 4.136 4.320 0.001 0.000 0.218 343 A C 1.257 178.701 177.584 -0.234 0.000 1.188 343 A CA 1.581 53.317 52.037 -0.501 0.000 0.631 343 A CB -0.671 18.028 19.000 -0.502 0.000 0.822 343 A HN 0.567 nan 8.150 nan 0.000 0.447 347 S N 0.591 116.254 115.700 -0.062 0.000 2.348 347 S HA 0.043 4.514 4.470 0.001 0.000 0.219 347 S C 1.292 175.883 174.600 -0.016 0.000 1.033 347 S CA 1.172 59.342 58.200 -0.049 0.000 0.974 347 S CB -0.186 63.003 63.200 -0.019 0.000 0.868 347 S HN 0.265 nan 8.310 nan 0.000 0.459 348 N N 0.254 118.976 118.700 0.037 0.000 2.184 348 N HA 0.163 4.903 4.740 0.001 0.000 0.206 348 N C 0.425 175.960 175.510 0.041 0.000 1.151 348 N CA -0.224 52.895 53.050 0.115 0.000 0.878 348 N CB 0.657 39.323 38.487 0.297 0.000 1.014 348 N HN 0.253 nan 8.380 nan 0.000 0.512 349 G N 1.520 110.320 108.800 0.000 0.000 2.985 349 G HA2 0.107 4.067 3.960 0.001 0.000 0.282 349 G HA3 0.107 4.067 3.960 0.001 0.000 0.282 349 G C -0.198 174.684 174.900 -0.030 0.000 0.791 349 G CA 0.075 45.156 45.100 -0.032 0.000 1.934 349 G HN -0.013 nan 8.290 nan 0.000 0.563 350 K N 0.676 121.049 120.400 -0.045 0.000 2.464 350 K HA 0.421 4.741 4.320 0.001 0.000 0.253 350 K C 0.071 176.625 176.600 -0.077 0.000 0.933 350 K CA -0.878 55.393 56.287 -0.026 0.000 0.801 350 K CB 2.014 34.523 32.500 0.015 0.000 1.271 350 K HN 0.080 nan 8.250 nan 0.000 0.430 351 S N -0.034 115.627 115.700 -0.065 0.000 2.512 351 S HA 0.064 4.534 4.470 0.001 0.000 0.216 351 S C 0.602 175.136 174.600 -0.111 0.000 1.006 351 S CA -0.312 57.823 58.200 -0.108 0.000 0.915 351 S CB 0.465 63.616 63.200 -0.083 0.000 0.824 351 S HN 0.491 nan 8.310 nan 0.000 0.497 352 V N 1.842 121.722 119.914 -0.056 0.000 2.815 352 V HA 0.704 4.825 4.120 0.001 0.000 0.314 352 V C -0.389 175.706 176.094 0.003 0.000 1.064 352 V CA -1.380 60.897 62.300 -0.038 0.000 0.952 352 V CB 1.393 33.210 31.823 -0.011 0.000 1.020 352 V HN 0.295 nan 8.190 nan 0.000 0.439 353 N N 3.013 121.723 118.700 0.017 0.000 2.366 353 N HA 0.262 5.002 4.740 0.001 0.000 0.277 353 N C 0.867 176.429 175.510 0.087 0.000 1.275 353 N CA -0.603 52.493 53.050 0.078 0.000 0.964 353 N CB 0.126 38.677 38.487 0.108 0.000 1.167 353 N HN 0.482 nan 8.380 nan 0.000 0.568 354 I N -0.768 119.868 120.570 0.109 0.000 2.264 354 I HA -0.210 3.960 4.170 0.001 0.000 0.248 354 I C 1.950 178.121 176.117 0.090 0.000 1.111 354 I CA 1.500 62.867 61.300 0.110 0.000 1.382 354 I CB -1.932 36.141 38.000 0.121 0.000 1.060 354 I HN 0.765 nan 8.210 nan 0.000 0.418 355 A N -0.284 122.582 122.820 0.077 0.000 2.206 355 A HA 0.282 4.602 4.320 0.001 0.000 0.211 355 A C 1.933 179.542 177.584 0.042 0.000 1.158 355 A CA 1.001 53.075 52.037 0.061 0.000 0.761 355 A CB -0.596 18.438 19.000 0.058 0.000 0.801 355 A HN 0.583 nan 8.150 nan 0.000 0.473 356 G N -0.770 108.052 108.800 0.037 0.000 2.157 356 G HA2 -0.217 3.743 3.960 0.001 0.000 0.248 356 G HA3 -0.217 3.743 3.960 0.001 0.000 0.248 356 G C -0.186 174.714 174.900 0.001 0.000 0.979 356 G CA 0.239 45.347 45.100 0.014 0.000 0.650 356 G HN 0.627 nan 8.290 nan 0.000 0.529 357 E N 1.012 121.215 120.200 0.005 0.000 2.283 357 E HA 0.450 4.801 4.350 0.001 0.000 0.278 357 E C 0.148 176.725 176.600 -0.038 0.000 1.027 357 E CA -0.199 56.195 56.400 -0.010 0.000 0.843 357 E CB 0.780 30.483 29.700 0.005 0.000 1.062 357 E HN 0.115 nan 8.360 nan 0.000 0.401 358 T N 2.248 116.769 114.554 -0.055 0.000 2.817 358 T HA 0.122 4.473 4.350 0.001 0.000 0.295 358 T C 0.239 174.853 174.700 -0.143 0.000 0.958 358 T CA -0.547 61.497 62.100 -0.093 0.000 1.157 358 T CB 0.108 68.929 68.868 -0.079 0.000 0.898 358 T HN 0.327 nan 8.240 nan 0.000 0.536 359 V N 2.418 122.182 119.914 -0.250 0.000 2.732 359 V HA 0.334 4.454 4.120 0.001 0.000 0.297 359 V C 0.937 176.776 176.094 -0.426 0.000 1.060 359 V CA -0.668 61.353 62.300 -0.465 0.000 1.038 359 V CB 0.950 32.208 31.823 -0.943 0.000 1.003 359 V HN 0.938 nan 8.190 nan 0.000 0.481 360 N N 1.939 120.428 118.700 -0.351 0.000 2.279 360 N HA 0.215 4.955 4.740 0.001 0.000 0.226 360 N C -0.915 174.555 175.510 -0.066 0.000 1.126 360 N CA -0.333 52.627 53.050 -0.149 0.000 0.846 360 N CB 0.165 38.639 38.487 -0.022 0.000 1.050 360 N HN 0.890 nan 8.380 nan 0.000 0.502 361 Y N -1.634 118.633 120.300 -0.054 0.000 2.553 361 Y HA 0.376 4.926 4.550 0.001 0.000 0.347 361 Y C -0.288 175.516 175.900 -0.160 0.000 1.019 361 Y CA -1.329 56.730 58.100 -0.069 0.000 1.032 361 Y CB 0.386 38.839 38.460 -0.011 0.000 1.284 361 Y HN -0.180 nan 8.280 nan 0.000 0.466 362 Q N 1.652 121.454 119.800 0.003 0.000 2.364 362 Q HA 0.367 4.707 4.340 0.001 0.000 0.267 362 Q C 0.092 175.837 176.000 -0.425 0.000 0.999 362 Q CA 0.532 56.240 55.803 -0.159 0.000 0.886 362 Q CB 1.060 29.749 28.738 -0.082 0.000 1.243 362 Q HN 1.040 nan 8.270 nan 0.000 0.415 363 T N -0.059 114.119 114.554 -0.626 0.000 2.579 363 T HA 0.484 4.834 4.350 0.001 0.000 0.214 363 T C 0.656 174.737 174.700 -1.031 0.000 0.899 363 T CA -0.164 61.166 62.100 -1.283 0.000 1.323 363 T CB -0.534 67.887 68.868 -0.744 0.000 2.982 363 T HN 0.649 nan 8.240 nan 0.000 0.440 364 G N 1.211 109.696 108.800 -0.526 0.000 2.432 364 G HA2 0.466 4.427 3.960 0.001 0.000 0.239 364 G HA3 0.466 4.427 3.960 0.001 0.000 0.239 364 G C 0.117 174.999 174.900 -0.029 0.000 1.291 364 G CA -0.069 44.994 45.100 -0.062 0.000 0.863 364 G HN 1.092 nan 8.290 nan 0.000 0.560 365 V N 0.621 120.587 119.914 0.087 0.000 3.193 365 V HA 0.702 4.822 4.120 0.001 0.000 0.320 365 V C 0.444 176.590 176.094 0.086 0.000 1.112 365 V CA -1.098 61.250 62.300 0.080 0.000 1.026 365 V CB 1.533 33.435 31.823 0.132 0.000 1.128 365 V HN 0.548 nan 8.190 nan 0.000 0.452 366 V N 2.354 122.321 119.914 0.088 0.000 2.585 366 V HA 0.204 4.325 4.120 0.001 0.000 0.296 366 V C 0.152 176.348 176.094 0.171 0.000 1.035 366 V CA 0.164 62.525 62.300 0.102 0.000 1.084 366 V CB 0.671 32.542 31.823 0.080 0.000 0.953 366 V HN 0.740 nan 8.190 nan 0.000 0.483 367 L N 8.006 129.300 121.223 0.119 0.000 2.282 367 L HA 0.702 5.043 4.340 0.001 0.000 0.288 367 L C -0.532 176.417 176.870 0.131 0.000 1.033 367 L CA 0.043 54.926 54.840 0.073 0.000 0.807 367 L CB 0.982 43.031 42.059 -0.017 0.000 1.209 367 L HN 0.831 nan 8.230 nan 0.000 0.423 368 W N 4.446 125.679 121.300 -0.111 0.000 3.003 368 W HA 0.865 5.525 4.660 0.001 0.000 0.362 368 W C -0.555 175.860 176.519 -0.173 0.000 1.213 368 W CA -0.491 56.764 57.345 -0.151 0.000 1.157 368 W CB 0.694 30.042 29.460 -0.187 0.000 1.493 368 W HN 0.866 nan 8.180 nan 0.000 0.589 369 G N -0.223 108.426 108.800 -0.252 0.000 2.441 369 G HA2 0.549 4.509 3.960 0.001 0.000 0.222 369 G HA3 0.549 4.509 3.960 0.001 0.000 0.222 369 G C -0.805 174.058 174.900 -0.062 0.000 1.254 369 G CA 0.464 45.253 45.100 -0.518 0.000 0.959 369 G HN 1.882 nan 8.290 nan 0.000 0.474 370 G N -1.928 106.957 108.800 0.143 0.000 2.377 370 G HA2 0.583 4.544 3.960 0.001 0.000 0.297 370 G HA3 0.583 4.544 3.960 0.001 0.000 0.297 370 G C -1.074 173.940 174.900 0.190 0.000 1.547 370 G CA 0.223 45.491 45.100 0.280 0.000 0.833 370 G HN 1.408 nan 8.290 nan 0.000 0.583 371 V N 0.477 120.432 119.914 0.070 0.000 2.740 371 V HA 0.494 4.615 4.120 0.001 0.000 0.303 371 V C 1.429 177.393 176.094 -0.215 0.000 1.054 371 V CA 1.008 63.275 62.300 -0.054 0.000 1.106 371 V CB 1.272 33.054 31.823 -0.069 0.000 0.957 371 V HN 1.175 nan 8.190 nan 0.000 0.486 372 G N 1.979 110.455 108.800 -0.541 0.000 2.389 372 G HA2 0.447 4.407 3.960 0.001 0.000 0.317 372 G HA3 0.447 4.407 3.960 0.001 0.000 0.317 372 G C 0.810 175.245 174.900 -0.774 0.000 1.137 372 G CA 0.277 44.664 45.100 -1.187 0.000 0.870 372 G HN 0.869 nan 8.290 nan 0.000 0.496 373 T N -0.768 113.521 114.554 -0.443 0.000 3.148 373 T HA -0.043 4.307 4.350 0.001 0.000 0.253 373 T C 1.672 176.245 174.700 -0.212 0.000 1.134 373 T CA 0.460 62.367 62.100 -0.322 0.000 1.051 373 T CB -0.186 68.674 68.868 -0.013 0.000 0.959 373 T HN 0.359 nan 8.240 nan 0.000 0.525 374 N N 2.289 120.867 118.700 -0.204 0.000 2.094 374 N HA -0.020 4.721 4.740 0.001 0.000 0.191 374 N C 2.143 177.518 175.510 -0.224 0.000 1.023 374 N CA 1.629 54.602 53.050 -0.128 0.000 0.857 374 N CB -0.945 37.473 38.487 -0.114 0.000 1.013 374 N HN 0.581 nan 8.380 nan 0.000 0.426 375 G N 0.525 109.075 108.800 -0.416 0.000 2.462 375 G HA2 -0.293 3.667 3.960 0.001 0.000 0.220 375 G HA3 -0.293 3.667 3.960 0.001 0.000 0.220 375 G C 1.298 175.515 174.900 -1.139 0.000 1.121 375 G CA 0.579 45.154 45.100 -0.875 0.000 0.758 375 G HN 0.383 nan 8.290 nan 0.000 0.559 376 Q N -0.467 118.674 119.800 -1.098 0.000 2.234 376 Q HA -0.106 4.235 4.340 0.001 0.000 0.206 376 Q C 1.494 177.107 176.000 -0.646 0.000 0.980 376 Q CA 1.097 56.324 55.803 -0.960 0.000 0.869 376 Q CB -0.096 28.257 28.738 -0.641 0.000 0.912 376 Q HN 0.634 nan 8.270 nan 0.000 0.436 377 H N -2.212 116.668 119.070 -0.317 0.000 2.542 377 H HA 0.396 4.953 4.556 0.001 0.000 0.283 377 H C 0.725 175.965 175.328 -0.147 0.000 1.059 377 H CA 0.534 56.478 56.048 -0.174 0.000 1.162 377 H CB 0.859 30.538 29.762 -0.139 0.000 1.539 377 H HN 0.255 nan 8.280 nan 0.000 0.543 378 A N 0.490 123.219 122.820 -0.153 0.000 1.949 378 A HA 0.142 4.462 4.320 0.001 0.000 0.200 378 A C 0.978 178.591 177.584 0.050 0.000 1.832 378 A CA 0.074 52.083 52.037 -0.047 0.000 1.004 378 A CB -0.098 18.895 19.000 -0.012 0.000 1.102 378 A HN 0.209 nan 8.150 nan 0.000 0.595 379 F N -2.453 117.600 119.950 0.172 0.000 2.856 379 F HA 0.423 4.950 4.527 0.001 0.000 0.338 379 F C 1.252 177.218 175.800 0.277 0.000 1.100 379 F CA -0.067 58.060 58.000 0.212 0.000 1.150 379 F CB -0.575 38.585 39.000 0.267 0.000 1.101 379 F HN 0.269 nan 8.300 nan 0.000 0.548 380 H N 0.544 119.552 119.070 -0.104 0.000 2.489 380 H HA -0.154 4.403 4.556 0.001 0.000 0.293 380 H C 1.898 177.274 175.328 0.081 0.000 1.066 380 H CA 1.225 57.275 56.048 0.004 0.000 1.305 380 H CB 0.188 29.930 29.762 -0.035 0.000 1.386 380 H HN 0.357 nan 8.280 nan 0.000 0.551 381 Q N 1.838 121.784 119.800 0.244 0.000 2.118 381 Q HA -0.205 4.135 4.340 0.001 0.000 0.211 381 Q C 2.296 178.403 176.000 0.179 0.000 0.998 381 Q CA 1.683 57.611 55.803 0.210 0.000 0.872 381 Q CB -0.597 28.225 28.738 0.140 0.000 0.925 381 Q HN 0.572 nan 8.270 nan 0.000 0.414 382 L N -0.850 120.475 121.223 0.170 0.000 2.093 382 L HA -0.048 4.292 4.340 0.001 0.000 0.208 382 L C 2.106 179.027 176.870 0.084 0.000 1.085 382 L CA 0.979 55.895 54.840 0.126 0.000 0.755 382 L CB -0.140 41.993 42.059 0.123 0.000 0.904 382 L HN 0.356 nan 8.230 nan 0.000 0.435 383 L N -1.011 120.242 121.223 0.050 0.000 2.131 383 L HA -0.216 4.124 4.340 0.001 0.000 0.210 383 L C 2.482 179.251 176.870 -0.168 0.000 1.092 383 L CA 0.783 55.554 54.840 -0.115 0.000 0.759 383 L CB -0.861 41.025 42.059 -0.289 0.000 0.903 383 L HN 0.429 nan 8.230 nan 0.000 0.435 384 H N -0.917 118.197 119.070 0.074 0.000 2.431 384 H HA 0.064 4.621 4.556 0.001 0.000 0.295 384 H C 1.537 176.897 175.328 0.054 0.000 1.038 384 H CA 0.934 57.019 56.048 0.062 0.000 1.360 384 H CB 0.457 30.266 29.762 0.078 0.000 1.433 384 H HN 0.410 nan 8.280 nan 0.000 0.536 385 Q N -0.053 119.852 119.800 0.174 0.000 2.140 385 Q HA 0.208 4.549 4.340 0.001 0.000 0.227 385 Q C 0.931 176.985 176.000 0.089 0.000 0.798 385 Q CA -0.202 55.675 55.803 0.123 0.000 0.987 385 Q CB 1.789 30.601 28.738 0.123 0.000 1.161 385 Q HN 0.207 nan 8.270 nan 0.000 0.480 386 G N 1.833 110.680 108.800 0.078 0.000 2.683 386 G HA2 0.040 4.001 3.960 0.001 0.000 0.260 386 G HA3 0.040 4.001 3.960 0.001 0.000 0.260 386 G C 0.189 175.120 174.900 0.051 0.000 1.238 386 G CA -0.271 44.864 45.100 0.058 0.000 0.934 386 G HN 0.350 nan 8.290 nan 0.000 0.534 387 N N -0.931 117.798 118.700 0.047 0.000 2.480 387 N HA 0.148 4.889 4.740 0.001 0.000 0.281 387 N C -0.552 174.996 175.510 0.064 0.000 1.381 387 N CA -0.426 52.658 53.050 0.056 0.000 0.903 387 N CB 0.552 39.072 38.487 0.055 0.000 1.274 387 N HN 0.167 nan 8.380 nan 0.000 0.505 388 I N 0.694 121.297 120.570 0.054 0.000 2.378 388 I HA 0.359 4.529 4.170 0.001 0.000 0.291 388 I C -0.347 175.815 176.117 0.075 0.000 0.992 388 I CA -1.136 60.206 61.300 0.070 0.000 1.154 388 I CB 0.644 38.667 38.000 0.039 0.000 1.315 388 I HN 0.036 nan 8.210 nan 0.000 0.448 389 F N 7.616 127.558 119.950 -0.012 0.000 2.471 389 F HA 0.440 4.968 4.527 0.001 0.000 0.365 389 F C -0.089 175.667 175.800 -0.074 0.000 1.095 389 F CA 0.054 58.011 58.000 -0.072 0.000 1.174 389 F CB 0.320 39.273 39.000 -0.078 0.000 1.105 389 F HN 0.264 nan 8.300 nan 0.000 0.535 390 I N 8.225 128.536 120.570 -0.432 0.000 2.503 390 I HA 0.268 4.439 4.170 0.001 0.000 0.282 390 I C -2.438 173.408 176.117 -0.452 0.000 1.059 390 I CA -2.078 59.090 61.300 -0.220 0.000 1.081 390 I CB 1.627 39.614 38.000 -0.022 0.000 1.210 390 I HN 0.398 nan 8.210 nan 0.000 0.450 391 P HA 0.169 nan 4.420 nan 0.000 0.268 391 P C -0.777 176.379 177.300 -0.240 0.000 1.205 391 P CA -0.157 62.727 63.100 -0.360 0.000 0.771 391 P CB 0.900 32.530 31.700 -0.117 0.000 0.858 392 V N 3.342 123.120 119.914 -0.226 0.000 2.588 392 V HA 0.317 4.438 4.120 0.001 0.000 0.304 392 V C -0.409 175.589 176.094 -0.160 0.000 1.042 392 V CA -0.457 61.675 62.300 -0.280 0.000 0.877 392 V CB 2.045 33.643 31.823 -0.375 0.000 0.996 392 V HN 0.415 nan 8.190 nan 0.000 0.425 393 D N 3.385 123.684 120.400 -0.168 0.000 2.256 393 D HA 0.562 5.202 4.640 0.001 0.000 0.240 393 D C -0.825 175.405 176.300 -0.117 0.000 1.062 393 D CA 0.051 54.055 54.000 0.007 0.000 0.832 393 D CB 1.577 42.483 40.800 0.176 0.000 1.135 393 D HN 0.263 nan 8.370 nan 0.000 0.484 394 F N 2.017 122.038 119.950 0.119 0.000 2.421 394 F HA 0.414 4.941 4.527 0.001 0.000 0.337 394 F C 0.347 176.254 175.800 0.178 0.000 1.105 394 F CA -0.914 57.170 58.000 0.140 0.000 1.049 394 F CB 1.261 40.291 39.000 0.049 0.000 1.139 394 F HN 0.051 nan 8.300 nan 0.000 0.479 395 I N 3.178 123.971 120.570 0.372 0.000 2.339 395 I HA 0.541 4.711 4.170 0.001 0.000 0.290 395 I C -0.073 176.208 176.117 0.275 0.000 0.994 395 I CA -0.814 60.654 61.300 0.280 0.000 1.191 395 I CB 0.747 38.844 38.000 0.162 0.000 1.343 395 I HN 0.593 nan 8.210 nan 0.000 0.458 396 A N 7.811 130.775 122.820 0.239 0.000 2.350 396 A HA 0.865 5.185 4.320 0.001 0.000 0.324 396 A C -0.676 177.013 177.584 0.174 0.000 1.118 396 A CA -0.521 51.635 52.037 0.197 0.000 0.783 396 A CB 1.492 20.623 19.000 0.219 0.000 1.236 396 A HN 0.498 nan 8.150 nan 0.000 0.457 397 I N 2.383 123.035 120.570 0.136 0.000 2.382 397 I HA 0.328 4.499 4.170 0.001 0.000 0.286 397 I C 1.238 177.414 176.117 0.098 0.000 1.002 397 I CA -0.288 61.081 61.300 0.116 0.000 1.135 397 I CB 0.630 38.689 38.000 0.098 0.000 1.288 397 I HN 0.785 nan 8.210 nan 0.000 0.448 398 A N 5.279 128.163 122.820 0.108 0.000 1.902 398 A HA -0.049 4.271 4.320 0.001 0.000 0.217 398 A C 1.089 178.702 177.584 0.048 0.000 1.181 398 A CA 1.787 53.879 52.037 0.092 0.000 0.623 398 A CB -0.287 18.773 19.000 0.099 0.000 0.818 398 A HN 0.757 nan 8.150 nan 0.000 0.443 399 T N -3.754 110.821 114.554 0.036 0.000 2.893 399 T HA 0.615 4.965 4.350 0.001 0.000 0.293 399 T C -0.243 174.443 174.700 -0.023 0.000 1.027 399 T CA 0.054 62.148 62.100 -0.010 0.000 0.988 399 T CB 1.753 70.617 68.868 -0.006 0.000 1.043 399 T HN 0.202 nan 8.240 nan 0.000 0.461 400 S N -0.025 115.596 115.700 -0.132 0.000 2.561 400 S HA 0.394 4.864 4.470 0.001 0.000 0.282 400 S C 0.746 175.230 174.600 -0.195 0.000 1.123 400 S CA -0.141 57.955 58.200 -0.173 0.000 1.011 400 S CB 0.310 63.301 63.200 -0.349 0.000 1.244 400 S HN 1.070 nan 8.310 nan 0.000 0.503 401 H N -0.699 118.272 119.070 -0.164 0.000 2.594 401 H HA 0.452 5.009 4.556 0.001 0.000 0.279 401 H C 0.143 175.433 175.328 -0.062 0.000 1.042 401 H CA 0.041 56.034 56.048 -0.092 0.000 1.177 401 H CB -0.571 29.166 29.762 -0.042 0.000 1.524 401 H HN 0.626 nan 8.280 nan 0.000 0.537 402 H N -2.547 116.414 119.070 -0.183 0.000 2.906 402 H HA 0.502 5.059 4.556 0.001 0.000 0.337 402 H C -0.310 175.001 175.328 -0.029 0.000 1.257 402 H CA -1.470 54.537 56.048 -0.069 0.000 1.192 402 H CB 0.602 30.301 29.762 -0.106 0.000 1.912 402 H HN -0.017 nan 8.280 nan 0.000 0.573 403 N N -0.165 118.643 118.700 0.180 0.000 2.275 403 N HA 0.034 4.774 4.740 0.001 0.000 0.236 403 N C -0.872 174.669 175.510 0.051 0.000 1.154 403 N CA 0.063 53.139 53.050 0.044 0.000 0.866 403 N CB 0.172 38.629 38.487 -0.050 0.000 1.093 403 N HN 0.503 nan 8.380 nan 0.000 0.515 404 Y N 1.393 121.898 120.300 0.341 0.000 2.603 404 Y HA 0.051 4.601 4.550 0.001 0.000 0.341 404 Y C 1.151 177.192 175.900 0.237 0.000 1.272 404 Y CA -0.386 57.817 58.100 0.172 0.000 1.891 404 Y CB 0.040 38.399 38.460 -0.169 0.000 1.910 404 Y HN -0.074 nan 8.280 nan 0.000 0.432 405 D N 0.595 121.113 120.400 0.198 0.000 2.178 405 D HA -0.208 4.433 4.640 0.001 0.000 0.201 405 D C 1.856 178.245 176.300 0.147 0.000 0.980 405 D CA 1.276 55.355 54.000 0.133 0.000 0.842 405 D CB -0.067 40.765 40.800 0.053 0.000 0.948 405 D HN 0.570 nan 8.370 nan 0.000 0.472 406 N N 0.730 119.529 118.700 0.165 0.000 2.166 406 N HA -0.216 4.525 4.740 0.001 0.000 0.186 406 N C 1.570 177.145 175.510 0.108 0.000 1.019 406 N CA 1.265 54.383 53.050 0.114 0.000 0.856 406 N CB -1.017 37.524 38.487 0.089 0.000 0.993 406 N HN 0.418 nan 8.380 nan 0.000 0.426 407 H N -0.156 118.980 119.070 0.110 0.000 2.326 407 H HA -0.066 4.490 4.556 0.001 0.000 0.301 407 H C 1.917 177.290 175.328 0.075 0.000 1.081 407 H CA 1.699 57.789 56.048 0.070 0.000 1.334 407 H CB 0.160 29.939 29.762 0.028 0.000 1.385 407 H HN 0.326 nan 8.280 nan 0.000 0.504 408 Q N 1.270 121.231 119.800 0.267 0.000 2.084 408 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 408 Q C 2.361 178.398 176.000 0.061 0.000 0.978 408 Q CA 1.635 57.530 55.803 0.153 0.000 0.844 408 Q CB -0.111 28.694 28.738 0.111 0.000 0.898 408 Q HN 0.444 nan 8.270 nan 0.000 0.426 409 Q N -1.055 118.776 119.800 0.052 0.000 2.084 409 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 409 Q C 1.877 177.862 176.000 -0.024 0.000 0.978 409 Q CA 1.463 57.271 55.803 0.008 0.000 0.844 409 Q CB -0.286 28.463 28.738 0.018 0.000 0.898 409 Q HN 0.497 nan 8.270 nan 0.000 0.426 410 A N 0.813 123.624 122.820 -0.015 0.000 1.902 410 A HA -0.187 4.133 4.320 0.001 0.000 0.217 410 A C 1.986 179.554 177.584 -0.026 0.000 1.181 410 A CA 1.331 53.348 52.037 -0.034 0.000 0.623 410 A CB -0.770 18.193 19.000 -0.060 0.000 0.818 410 A HN 0.487 nan 8.150 nan 0.000 0.443 411 L N -0.246 120.981 121.223 0.007 0.000 2.012 411 L HA -0.144 4.196 4.340 0.001 0.000 0.210 411 L C 2.303 179.148 176.870 -0.042 0.000 1.073 411 L CA 1.868 56.739 54.840 0.052 0.000 0.748 411 L CB -0.526 41.585 42.059 0.087 0.000 0.891 411 L HN 0.405 nan 8.230 nan 0.000 0.431 412 L N -0.810 120.301 121.223 -0.187 0.000 2.056 412 L HA -0.134 4.207 4.340 0.001 0.000 0.207 412 L C 2.689 179.120 176.870 -0.732 0.000 1.078 412 L CA 1.110 55.614 54.840 -0.560 0.000 0.749 412 L CB -0.938 40.837 42.059 -0.474 0.000 0.901 412 L HN 0.367 nan 8.230 nan 0.000 0.433 413 A N 0.172 122.793 122.820 -0.332 0.000 1.917 413 A HA -0.248 4.072 4.320 0.001 0.000 0.219 413 A C 2.116 179.601 177.584 -0.166 0.000 1.182 413 A CA 2.043 53.970 52.037 -0.184 0.000 0.633 413 A CB -0.667 18.293 19.000 -0.067 0.000 0.819 413 A HN 0.479 nan 8.150 nan 0.000 0.448 414 N N -0.537 118.087 118.700 -0.126 0.000 2.142 414 N HA -0.164 4.577 4.740 0.001 0.000 0.186 414 N C 1.916 177.332 175.510 -0.158 0.000 1.023 414 N CA 1.500 54.530 53.050 -0.033 0.000 0.852 414 N CB -0.570 37.988 38.487 0.118 0.000 0.998 414 N HN 0.613 nan 8.380 nan 0.000 0.424 415 C N 0.860 119.881 119.300 -0.466 0.000 2.413 415 C HA -0.121 4.339 4.460 0.001 0.000 0.277 415 C C 2.538 177.158 174.990 -0.617 0.000 1.228 415 C CA 0.616 59.039 59.018 -0.991 0.000 1.731 415 C CB -1.497 25.589 27.740 -1.089 0.000 2.042 415 C HN 0.294 nan 8.230 nan 0.000 0.468 416 F N 1.822 121.535 119.950 -0.394 0.000 2.259 416 F HA 0.124 4.651 4.527 0.001 0.000 0.298 416 F C 2.600 178.247 175.800 -0.256 0.000 1.088 416 F CA 0.842 58.650 58.000 -0.319 0.000 1.358 416 F CB -1.675 37.218 39.000 -0.178 0.000 1.040 416 F HN 0.308 nan 8.300 nan 0.000 0.505 417 A N -0.271 122.531 122.820 -0.028 0.000 1.972 417 A HA -0.160 4.160 4.320 0.001 0.000 0.219 417 A C 2.233 179.808 177.584 -0.016 0.000 1.169 417 A CA 1.179 53.200 52.037 -0.027 0.000 0.635 417 A CB -0.491 18.494 19.000 -0.025 0.000 0.810 417 A HN 0.263 nan 8.150 nan 0.000 0.446 418 Q N 0.254 120.029 119.800 -0.042 0.000 2.079 418 Q HA -0.126 4.214 4.340 0.001 0.000 0.200 418 Q C 2.583 178.633 176.000 0.083 0.000 0.974 418 Q CA 1.922 57.806 55.803 0.136 0.000 0.840 418 Q CB -0.655 28.294 28.738 0.352 0.000 0.898 418 Q HN 0.833 nan 8.270 nan 0.000 0.430 419 S N 0.211 115.733 115.700 -0.296 0.000 2.383 419 S HA -0.190 4.281 4.470 0.001 0.000 0.227 419 S C 1.974 176.571 174.600 -0.005 0.000 1.026 419 S CA 1.194 59.294 58.200 -0.167 0.000 0.981 419 S CB -0.285 62.685 63.200 -0.383 0.000 0.818 419 S HN 0.335 nan 8.310 nan 0.000 0.472 420 Q N 1.238 121.034 119.800 -0.006 0.000 2.084 420 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 420 Q C 2.333 178.451 176.000 0.196 0.000 0.978 420 Q CA 1.444 57.307 55.803 0.101 0.000 0.844 420 Q CB -0.563 28.200 28.738 0.042 0.000 0.898 420 Q HN 0.738 nan 8.270 nan 0.000 0.426 421 A N 0.774 123.672 122.820 0.129 0.000 1.902 421 A HA -0.055 4.266 4.320 0.001 0.000 0.217 421 A C 1.299 179.005 177.584 0.203 0.000 1.181 421 A CA 0.558 52.671 52.037 0.126 0.000 0.623 421 A CB -0.663 18.340 19.000 0.005 0.000 0.818 421 A HN 0.379 nan 8.150 nan 0.000 0.443 425 G N 1.520 110.447 108.800 0.211 0.000 2.692 425 G HA2 -0.168 3.793 3.960 0.001 0.000 0.248 425 G HA3 -0.168 3.793 3.960 0.001 0.000 0.248 425 G C -0.448 174.523 174.900 0.117 0.000 1.340 425 G CA 0.189 45.369 45.100 0.132 0.000 0.896 425 G HN 0.532 nan 8.290 nan 0.000 0.570 426 Q N -0.791 119.059 119.800 0.083 0.000 2.268 426 Q HA 0.544 4.885 4.340 0.001 0.000 0.266 426 Q C 0.210 176.255 176.000 0.075 0.000 1.006 426 Q CA -0.063 55.779 55.803 0.066 0.000 0.824 426 Q CB 1.591 30.345 28.738 0.026 0.000 1.306 426 Q HN 1.358 nan 8.270 nan 0.000 0.424 427 S N 1.904 117.657 115.700 0.088 0.000 2.669 427 S HA 0.159 4.629 4.470 0.001 0.000 0.270 427 S C 0.768 175.445 174.600 0.128 0.000 1.225 427 S CA -0.437 57.833 58.200 0.116 0.000 0.991 427 S CB 0.546 63.818 63.200 0.120 0.000 0.987 427 S HN 0.770 nan 8.310 nan 0.000 0.552 428 Y N 1.286 121.614 120.300 0.048 0.000 2.114 428 Y HA -0.148 4.403 4.550 0.001 0.000 0.282 428 Y C 1.262 177.213 175.900 0.084 0.000 1.165 428 Y CA 2.293 60.425 58.100 0.054 0.000 1.148 428 Y CB -0.477 37.995 38.460 0.019 0.000 0.972 428 Y HN 0.896 nan 8.280 nan 0.000 0.504 432 Y N 2.530 122.672 120.300 -0.264 0.000 2.128 432 Y HA -0.203 4.347 4.550 0.001 0.000 0.284 432 Y C 2.302 178.141 175.900 -0.101 0.000 1.154 432 Y CA 2.732 60.691 58.100 -0.234 0.000 1.149 432 Y CB -0.135 38.163 38.460 -0.271 0.000 0.976 432 Y HN 0.364 nan 8.280 nan 0.000 0.505 433 N N 0.554 119.264 118.700 0.018 0.000 2.188 433 N HA -0.205 4.535 4.740 0.001 0.000 0.184 433 N C 1.939 177.388 175.510 -0.102 0.000 1.018 433 N CA 1.498 54.524 53.050 -0.041 0.000 0.858 433 N CB -0.599 37.919 38.487 0.052 0.000 0.989 433 N HN 0.691 nan 8.380 nan 0.000 0.426 434 E N 1.315 121.467 120.200 -0.080 0.000 2.097 434 E HA -0.181 4.169 4.350 0.001 0.000 0.196 434 E C 1.897 178.428 176.600 -0.115 0.000 1.000 434 E CA 0.933 57.284 56.400 -0.082 0.000 0.804 434 E CB -0.248 29.414 29.700 -0.063 0.000 0.740 434 E HN 0.318 nan 8.360 nan 0.000 0.454 435 L N 0.535 121.660 121.223 -0.164 0.000 2.093 435 L HA -0.137 4.203 4.340 0.001 0.000 0.208 435 L C 2.781 179.530 176.870 -0.201 0.000 1.085 435 L CA 0.646 55.381 54.840 -0.174 0.000 0.755 435 L CB -0.342 41.599 42.059 -0.196 0.000 0.904 435 L HN 0.228 nan 8.230 nan 0.000 0.435 436 L N -0.209 120.838 121.223 -0.293 0.000 2.012 436 L HA -0.254 4.087 4.340 0.001 0.000 0.210 436 L C 2.560 179.349 176.870 -0.135 0.000 1.073 436 L CA 1.542 56.238 54.840 -0.239 0.000 0.748 436 L CB -0.462 41.421 42.059 -0.294 0.000 0.891 436 L HN 0.214 nan 8.230 nan 0.000 0.431 437 K N -0.209 120.123 120.400 -0.113 0.000 2.211 437 K HA -0.128 4.193 4.320 0.001 0.000 0.203 437 K C 2.191 178.753 176.600 -0.064 0.000 1.050 437 K CA 1.427 57.671 56.287 -0.073 0.000 0.945 437 K CB -0.064 32.402 32.500 -0.057 0.000 0.732 437 K HN 0.317 nan 8.250 nan 0.000 0.451 438 S N -0.939 114.717 115.700 -0.074 0.000 2.522 438 S HA 0.032 4.502 4.470 0.001 0.000 0.227 438 S C 1.303 175.869 174.600 -0.056 0.000 0.986 438 S CA 0.721 58.885 58.200 -0.061 0.000 0.929 438 S CB 0.238 63.401 63.200 -0.062 0.000 0.769 438 S HN 0.416 nan 8.310 nan 0.000 0.529 439 G N 0.357 109.118 108.800 -0.065 0.000 2.163 439 G HA2 -0.155 3.806 3.960 0.001 0.000 0.213 439 G HA3 -0.155 3.806 3.960 0.001 0.000 0.213 439 G C -0.129 174.737 174.900 -0.056 0.000 0.991 439 G CA -0.066 45.001 45.100 -0.054 0.000 0.653 439 G HN 0.490 nan 8.290 nan 0.000 0.518 440 L N 1.416 122.594 121.223 -0.074 0.000 2.417 440 L HA 0.331 4.672 4.340 0.001 0.000 0.268 440 L C 1.161 177.987 176.870 -0.073 0.000 1.158 440 L CA -0.522 54.276 54.840 -0.069 0.000 0.819 440 L CB 0.478 42.488 42.059 -0.082 0.000 1.112 440 L HN 0.524 nan 8.230 nan 0.000 0.458 441 N N 0.851 119.525 118.700 -0.043 0.000 2.354 441 N HA -0.009 4.731 4.740 0.001 0.000 0.246 441 N C 0.552 176.048 175.510 -0.023 0.000 1.285 441 N CA -0.349 52.684 53.050 -0.028 0.000 0.925 441 N CB 0.346 38.830 38.487 -0.005 0.000 1.174 441 N HN 0.599 nan 8.380 nan 0.000 0.478 442 E N -0.670 119.539 120.200 0.015 0.000 2.058 442 E HA -0.215 4.135 4.350 0.001 0.000 0.194 442 E C 1.297 177.970 176.600 0.120 0.000 0.997 442 E CA 2.004 58.456 56.400 0.086 0.000 0.801 442 E CB -0.657 29.119 29.700 0.126 0.000 0.746 442 E HN 0.727 nan 8.360 nan 0.000 0.450 443 T N 1.453 116.055 114.554 0.081 0.000 2.708 443 T HA -0.193 4.158 4.350 0.001 0.000 0.266 443 T C 1.952 176.699 174.700 0.078 0.000 1.037 443 T CA 1.601 63.750 62.100 0.082 0.000 1.146 443 T CB -0.240 68.662 68.868 0.055 0.000 0.865 443 T HN 0.216 nan 8.240 nan 0.000 0.435 444 Q N 0.777 120.604 119.800 0.046 0.000 2.050 444 Q HA -0.018 4.322 4.340 0.001 0.000 0.202 444 Q C 2.761 178.784 176.000 0.037 0.000 0.980 444 Q CA 1.464 57.285 55.803 0.031 0.000 0.840 444 Q CB -0.385 28.355 28.738 0.002 0.000 0.898 444 Q HN 0.552 nan 8.270 nan 0.000 0.424 445 A N 1.511 124.337 122.820 0.010 0.000 1.908 445 A HA -0.237 4.084 4.320 0.001 0.000 0.218 445 A C 1.931 179.613 177.584 0.165 0.000 1.181 445 A CA 1.668 53.689 52.037 -0.027 0.000 0.627 445 A CB -0.344 18.471 19.000 -0.309 0.000 0.818 445 A HN 0.193 nan 8.150 nan 0.000 0.445 446 K N -0.482 120.088 120.400 0.284 0.000 2.097 446 K HA -0.133 4.187 4.320 0.001 0.000 0.205 446 K C 1.950 178.690 176.600 0.233 0.000 1.050 446 K CA 1.562 58.044 56.287 0.325 0.000 0.938 446 K CB -0.144 32.517 32.500 0.268 0.000 0.718 446 K HN 0.620 nan 8.250 nan 0.000 0.442 447 E N 0.383 120.685 120.200 0.170 0.000 2.152 447 E HA -0.155 4.195 4.350 0.001 0.000 0.192 447 E C 1.742 178.469 176.600 0.212 0.000 0.983 447 E CA 0.674 57.171 56.400 0.162 0.000 0.818 447 E CB 0.122 29.886 29.700 0.107 0.000 0.758 447 E HN 0.079 nan 8.360 nan 0.000 0.467 448 L N 0.092 121.413 121.223 0.163 0.000 2.298 448 L HA 0.194 4.534 4.340 0.001 0.000 0.209 448 L C 2.026 179.003 176.870 0.178 0.000 1.084 448 L CA 1.139 56.083 54.840 0.173 0.000 0.816 448 L CB -0.334 41.763 42.059 0.062 0.000 0.967 448 L HN -0.012 nan 8.230 nan 0.000 0.460 449 A N 0.082 122.946 122.820 0.073 0.000 1.917 449 A HA -0.194 4.126 4.320 0.001 0.000 0.219 449 A C 2.452 180.016 177.584 -0.033 0.000 1.182 449 A CA 1.955 53.931 52.037 -0.102 0.000 0.633 449 A CB -1.182 17.527 19.000 -0.485 0.000 0.819 449 A HN 0.531 nan 8.150 nan 0.000 0.448 450 A N -1.248 121.636 122.820 0.107 0.000 1.978 450 A HA -0.222 4.099 4.320 0.001 0.000 0.220 450 A C 1.948 179.491 177.584 -0.069 0.000 1.170 450 A CA 1.597 53.686 52.037 0.086 0.000 0.636 450 A CB -0.936 18.068 19.000 0.007 0.000 0.810 450 A HN 0.714 nan 8.150 nan 0.000 0.448 451 H N -0.509 118.607 119.070 0.076 0.000 2.524 451 H HA 0.041 4.597 4.556 0.001 0.000 0.282 451 H C 1.283 176.635 175.328 0.040 0.000 1.016 451 H CA 1.345 57.426 56.048 0.054 0.000 1.270 451 H CB 0.134 29.921 29.762 0.042 0.000 1.394 451 H HN 0.558 nan 8.280 nan 0.000 0.568 452 K N 0.668 121.137 120.400 0.115 0.000 2.367 452 K HA 0.130 4.450 4.320 0.001 0.000 0.194 452 K C 0.425 177.050 176.600 0.042 0.000 1.027 452 K CA -0.071 56.253 56.287 0.061 0.000 1.075 452 K CB 1.045 33.559 32.500 0.024 0.000 0.845 452 K HN -0.107 nan 8.250 nan 0.000 0.529 453 V N 2.793 122.739 119.914 0.052 0.000 2.599 453 V HA 0.006 4.127 4.120 0.001 0.000 0.300 453 V C 0.228 176.362 176.094 0.068 0.000 1.034 453 V CA 0.478 62.818 62.300 0.066 0.000 1.115 453 V CB 0.384 32.270 31.823 0.104 0.000 0.934 453 V HN 0.148 nan 8.190 nan 0.000 0.485 454 I N 7.776 128.386 120.570 0.067 0.000 2.382 454 I HA 0.301 4.471 4.170 0.001 0.000 0.286 454 I C -1.488 174.681 176.117 0.087 0.000 1.002 454 I CA -1.794 59.552 61.300 0.076 0.000 1.135 454 I CB 2.241 40.273 38.000 0.053 0.000 1.288 454 I HN 0.460 nan 8.210 nan 0.000 0.448 455 P HA -0.053 nan 4.420 nan 0.000 0.217 455 P C 0.880 178.230 177.300 0.083 0.000 1.150 455 P CA 1.118 64.268 63.100 0.083 0.000 0.832 455 P CB 0.203 31.949 31.700 0.076 0.000 0.787 456 G N -0.240 108.613 108.800 0.088 0.000 2.698 456 G HA2 -0.295 3.666 3.960 0.001 0.000 0.233 456 G HA3 -0.295 3.666 3.960 0.001 0.000 0.233 456 G C 0.070 174.998 174.900 0.047 0.000 1.352 456 G CA 0.108 45.256 45.100 0.079 0.000 0.879 456 G HN 0.376 nan 8.290 nan 0.000 0.567 457 N N -1.270 117.443 118.700 0.021 0.000 2.747 457 N HA -0.182 4.558 4.740 0.001 0.000 0.249 457 N C 0.278 175.788 175.510 -0.001 0.000 1.107 457 N CA 1.965 55.024 53.050 0.016 0.000 0.707 457 N CB -0.634 37.883 38.487 0.051 0.000 1.054 457 N HN 0.849 nan 8.380 nan 0.000 0.555 458 R N 0.425 120.903 120.500 -0.037 0.000 2.407 458 R HA 0.466 4.806 4.340 0.001 0.000 0.303 458 R C -2.237 173.988 176.300 -0.126 0.000 0.981 458 R CA -1.572 54.443 56.100 -0.142 0.000 0.905 458 R CB 1.289 31.496 30.300 -0.155 0.000 1.099 458 R HN 0.141 nan 8.270 nan 0.000 0.459 459 P HA 0.104 nan 4.420 nan 0.000 0.277 459 P C -0.917 176.345 177.300 -0.064 0.000 1.240 459 P CA -0.320 62.719 63.100 -0.102 0.000 0.798 459 P CB 1.505 33.112 31.700 -0.154 0.000 0.979 460 S N 0.107 115.842 115.700 0.059 0.000 2.596 460 S HA 0.625 5.096 4.470 0.001 0.000 0.270 460 S C -0.904 173.784 174.600 0.147 0.000 1.155 460 S CA -0.641 57.638 58.200 0.131 0.000 0.827 460 S CB 1.249 64.638 63.200 0.314 0.000 1.130 460 S HN 0.343 nan 8.310 nan 0.000 0.467 461 T N 1.938 116.590 114.554 0.163 0.000 2.841 461 T HA 0.711 5.062 4.350 0.001 0.000 0.283 461 T C -0.950 173.850 174.700 0.168 0.000 1.000 461 T CA -0.444 61.708 62.100 0.085 0.000 0.977 461 T CB 1.704 70.606 68.868 0.057 0.000 0.979 461 T HN 0.718 nan 8.240 nan 0.000 0.446 462 T N 3.476 118.064 114.554 0.057 0.000 2.786 462 T HA 0.537 4.887 4.350 0.001 0.000 0.283 462 T C -0.108 174.635 174.700 0.071 0.000 0.992 462 T CA -0.495 61.686 62.100 0.136 0.000 0.954 462 T CB 0.406 69.322 68.868 0.080 0.000 0.934 462 T HN 0.423 nan 8.240 nan 0.000 0.440 463 I N 4.261 124.956 120.570 0.208 0.000 2.328 463 I HA 0.363 4.533 4.170 0.001 0.000 0.287 463 I C -0.705 175.566 176.117 0.257 0.000 1.012 463 I CA -0.870 60.583 61.300 0.254 0.000 1.195 463 I CB 1.221 39.428 38.000 0.344 0.000 1.350 463 I HN 0.306 nan 8.210 nan 0.000 0.464 464 L N 8.281 129.666 121.223 0.270 0.000 2.287 464 L HA 0.539 4.879 4.340 0.001 0.000 0.287 464 L C -0.975 176.050 176.870 0.258 0.000 1.022 464 L CA -0.296 54.719 54.840 0.292 0.000 0.814 464 L CB 1.086 43.366 42.059 0.368 0.000 1.217 464 L HN 0.345 nan 8.230 nan 0.000 0.420 465 L N 4.350 125.696 121.223 0.205 0.000 2.343 465 L HA 0.406 4.746 4.340 0.001 0.000 0.275 465 L C 1.204 178.162 176.870 0.148 0.000 1.056 465 L CA -0.087 54.855 54.840 0.170 0.000 0.804 465 L CB 1.262 43.405 42.059 0.140 0.000 1.203 465 L HN 0.751 nan 8.230 nan 0.000 0.440 466 D N 0.770 121.247 120.400 0.127 0.000 2.144 466 D HA -0.128 4.512 4.640 0.001 0.000 0.199 466 D C 0.100 176.455 176.300 0.093 0.000 0.984 466 D CA 1.096 55.155 54.000 0.099 0.000 0.834 466 D CB 0.262 41.108 40.800 0.076 0.000 0.955 466 D HN 0.715 nan 8.370 nan 0.000 0.465 467 E N -1.666 118.597 120.200 0.105 0.000 2.429 467 E HA 0.391 4.742 4.350 0.001 0.000 0.280 467 E C -1.529 175.145 176.600 0.123 0.000 1.068 467 E CA -1.054 55.412 56.400 0.110 0.000 0.837 467 E CB 0.952 30.722 29.700 0.116 0.000 1.357 467 E HN -0.000 nan 8.360 nan 0.000 0.455 468 L N 2.524 123.831 121.223 0.139 0.000 2.407 468 L HA 0.356 4.697 4.340 0.001 0.000 0.261 468 L C -0.817 176.148 176.870 0.159 0.000 1.108 468 L CA 0.014 54.929 54.840 0.125 0.000 0.995 468 L CB 0.434 42.559 42.059 0.109 0.000 1.349 468 L HN 0.672 nan 8.230 nan 0.000 0.423 469 S N 2.721 118.475 115.700 0.090 0.000 2.722 469 S HA 0.672 5.142 4.470 0.001 0.000 0.292 469 S C -1.995 172.501 174.600 -0.175 0.000 1.135 469 S CA -1.324 56.835 58.200 -0.068 0.000 1.003 469 S CB 1.150 64.370 63.200 0.033 0.000 1.067 469 S HN 0.305 nan 8.310 nan 0.000 0.546 470 P HA -0.147 nan 4.420 nan 0.000 0.215 470 P C 1.088 178.380 177.300 -0.015 0.000 1.157 470 P CA 1.327 64.308 63.100 -0.199 0.000 0.874 470 P CB -0.189 31.369 31.700 -0.237 0.000 0.790 471 Y N 0.212 120.464 120.300 -0.080 0.000 2.145 471 Y HA -0.197 4.353 4.550 0.001 0.000 0.286 471 Y C 2.408 178.330 175.900 0.037 0.000 1.145 471 Y CA 1.967 60.065 58.100 -0.004 0.000 1.148 471 Y CB -0.601 37.862 38.460 0.005 0.000 0.981 471 Y HN -0.129 nan 8.280 nan 0.000 0.507 472 S N 0.204 116.051 115.700 0.244 0.000 2.402 472 S HA -0.147 4.323 4.470 0.001 0.000 0.229 472 S C 1.797 176.453 174.600 0.094 0.000 1.021 472 S CA 1.135 59.441 58.200 0.178 0.000 0.974 472 S CB -0.540 62.767 63.200 0.178 0.000 0.800 472 S HN 0.435 nan 8.310 nan 0.000 0.484 473 L N 2.247 123.505 121.223 0.059 0.000 2.046 473 L HA 0.055 4.395 4.340 0.001 0.000 0.208 473 L C 2.225 179.157 176.870 0.104 0.000 1.077 473 L CA 1.974 56.841 54.840 0.046 0.000 0.747 473 L CB -1.354 40.706 42.059 0.001 0.000 0.896 473 L HN 0.287 nan 8.230 nan 0.000 0.432 474 G N -1.019 107.837 108.800 0.093 0.000 2.418 474 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 474 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 474 G C 1.608 176.595 174.900 0.145 0.000 1.158 474 G CA 0.893 46.125 45.100 0.220 0.000 0.771 474 G HN 0.645 nan 8.290 nan 0.000 0.545 475 A N 0.503 123.326 122.820 0.005 0.000 1.877 475 A HA 0.020 4.341 4.320 0.001 0.000 0.216 475 A C 2.376 180.023 177.584 0.105 0.000 1.186 475 A CA 1.782 53.827 52.037 0.013 0.000 0.620 475 A CB -0.549 18.473 19.000 0.037 0.000 0.822 475 A HN 0.469 nan 8.150 nan 0.000 0.443 476 L N 0.093 121.414 121.223 0.164 0.000 2.012 476 L HA -0.148 4.192 4.340 0.001 0.000 0.210 476 L C 2.261 179.382 176.870 0.418 0.000 1.073 476 L CA 1.931 56.928 54.840 0.262 0.000 0.748 476 L CB -0.492 41.692 42.059 0.208 0.000 0.891 476 L HN 0.456 nan 8.230 nan 0.000 0.431 477 I N -0.414 120.405 120.570 0.415 0.000 2.179 477 I HA -0.296 3.874 4.170 0.001 0.000 0.242 477 I C 2.610 178.948 176.117 0.368 0.000 1.088 477 I CA 1.231 62.818 61.300 0.478 0.000 1.357 477 I CB -0.757 37.516 38.000 0.455 0.000 1.051 477 I HN 0.362 nan 8.210 nan 0.000 0.409 478 A N 1.021 123.967 122.820 0.210 0.000 1.940 478 A HA -0.170 4.150 4.320 0.001 0.000 0.219 478 A C 2.327 179.813 177.584 -0.163 0.000 1.176 478 A CA 1.418 53.400 52.037 -0.092 0.000 0.631 478 A CB -0.884 17.994 19.000 -0.204 0.000 0.814 478 A HN 0.385 nan 8.150 nan 0.000 0.446 479 L N -2.200 119.003 121.223 -0.034 0.000 2.013 479 L HA -0.269 4.071 4.340 0.001 0.000 0.212 479 L C 2.615 179.375 176.870 -0.184 0.000 1.073 479 L CA 1.868 56.625 54.840 -0.139 0.000 0.753 479 L CB -0.721 41.235 42.059 -0.172 0.000 0.890 479 L HN 0.490 nan 8.230 nan 0.000 0.432 480 Y N 0.024 120.336 120.300 0.019 0.000 2.242 480 Y HA -0.199 4.351 4.550 0.001 0.000 0.291 480 Y C 2.604 178.510 175.900 0.011 0.000 1.137 480 Y CA 1.134 59.251 58.100 0.028 0.000 1.181 480 Y CB -0.260 38.238 38.460 0.063 0.000 0.989 480 Y HN 0.192 nan 8.280 nan 0.000 0.527 481 E N -0.739 119.542 120.200 0.134 0.000 2.097 481 E HA -0.251 4.100 4.350 0.001 0.000 0.196 481 E C 1.815 178.424 176.600 0.014 0.000 1.000 481 E CA 1.553 58.016 56.400 0.106 0.000 0.804 481 E CB -0.212 29.491 29.700 0.004 0.000 0.740 481 E HN 0.591 nan 8.360 nan 0.000 0.454 482 H N 0.349 119.353 119.070 -0.111 0.000 2.436 482 H HA 0.004 4.561 4.556 0.001 0.000 0.294 482 H C 1.989 177.152 175.328 -0.275 0.000 1.048 482 H CA 0.923 56.737 56.048 -0.390 0.000 1.353 482 H CB -0.117 28.982 29.762 -1.105 0.000 1.414 482 H HN 0.098 nan 8.280 nan 0.000 0.536 483 K N 1.145 121.474 120.400 -0.119 0.000 2.044 483 K HA -0.139 4.181 4.320 0.001 0.000 0.210 483 K C 2.090 178.652 176.600 -0.064 0.000 1.049 483 K CA 1.480 57.690 56.287 -0.129 0.000 0.927 483 K CB -0.198 32.217 32.500 -0.143 0.000 0.713 483 K HN 0.139 nan 8.250 nan 0.000 0.443 484 I N 0.618 121.216 120.570 0.046 0.000 2.208 484 I HA -0.271 3.900 4.170 0.001 0.000 0.245 484 I C 2.345 178.523 176.117 0.101 0.000 1.097 484 I CA 1.087 62.436 61.300 0.083 0.000 1.363 484 I CB -0.374 37.725 38.000 0.165 0.000 1.051 484 I HN 0.191 nan 8.210 nan 0.000 0.413 485 F N 1.468 121.442 119.950 0.040 0.000 2.095 485 F HA -0.212 4.315 4.527 0.001 0.000 0.298 485 F C 2.339 178.145 175.800 0.010 0.000 1.104 485 F CA 1.656 59.721 58.000 0.107 0.000 1.232 485 F CB -0.747 38.381 39.000 0.213 0.000 0.987 485 F HN -0.199 nan 8.300 nan 0.000 0.475 486 V N 0.730 120.488 119.914 -0.260 0.000 2.343 486 V HA -0.324 3.797 4.120 0.001 0.000 0.247 486 V C 2.424 178.212 176.094 -0.510 0.000 1.051 486 V CA 2.244 64.274 62.300 -0.449 0.000 1.036 486 V CB -0.900 30.732 31.823 -0.318 0.000 0.654 486 V HN 0.412 nan 8.190 nan 0.000 0.451 487 Q N 0.068 119.574 119.800 -0.489 0.000 2.061 487 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 487 Q C 2.407 178.000 176.000 -0.679 0.000 0.984 487 Q CA 1.813 57.129 55.803 -0.811 0.000 0.846 487 Q CB -0.593 27.655 28.738 -0.817 0.000 0.902 487 Q HN 0.721 nan 8.270 nan 0.000 0.421 488 G N 0.133 108.782 108.800 -0.252 0.000 2.422 488 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 488 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 488 G C 1.510 176.386 174.900 -0.041 0.000 1.146 488 G CA 0.767 45.869 45.100 0.003 0.000 0.769 488 G HN 0.194 nan 8.290 nan 0.000 0.547 489 V N 0.968 120.751 119.914 -0.218 0.000 2.295 489 V HA -0.120 4.001 4.120 0.001 0.000 0.246 489 V C 2.913 178.901 176.094 -0.176 0.000 1.049 489 V CA 1.489 63.666 62.300 -0.205 0.000 1.024 489 V CB -0.436 31.149 31.823 -0.396 0.000 0.648 489 V HN 0.349 nan 8.190 nan 0.000 0.447 490 L N -1.498 119.518 121.223 -0.345 0.000 2.131 490 L HA -0.178 4.162 4.340 0.001 0.000 0.210 490 L C 2.334 179.113 176.870 -0.152 0.000 1.092 490 L CA 1.400 56.026 54.840 -0.357 0.000 0.759 490 L CB -0.503 41.098 42.059 -0.762 0.000 0.903 490 L HN 0.443 nan 8.230 nan 0.000 0.435 491 W N -0.330 120.902 121.300 -0.113 0.000 3.180 491 W HA 0.012 4.672 4.660 0.001 0.000 0.254 491 W C 0.823 177.439 176.519 0.162 0.000 1.318 491 W CA 0.259 57.627 57.345 0.040 0.000 1.608 491 W CB -0.813 28.721 29.460 0.124 0.000 1.124 491 W HN 0.293 nan 8.180 nan 0.000 0.694 492 D N 0.569 121.128 120.400 0.264 0.000 2.772 492 D HA -0.211 4.429 4.640 0.001 0.000 0.233 492 D C -0.048 176.383 176.300 0.218 0.000 1.143 492 D CA 0.890 55.017 54.000 0.211 0.000 0.700 492 D CB -1.351 39.581 40.800 0.220 0.000 1.076 492 D HN 0.309 nan 8.370 nan 0.000 0.430 493 I N -4.014 116.690 120.570 0.224 0.000 2.982 493 I HA 0.565 4.736 4.170 0.001 0.000 0.312 493 I C 0.312 176.519 176.117 0.150 0.000 1.041 493 I CA -1.180 60.228 61.300 0.180 0.000 1.053 493 I CB 1.477 39.589 38.000 0.187 0.000 1.248 493 I HN -0.122 nan 8.210 nan 0.000 0.471 494 N N 1.838 120.615 118.700 0.130 0.000 2.469 494 N HA 0.236 4.976 4.740 0.001 0.000 0.239 494 N C 0.147 175.666 175.510 0.015 0.000 1.053 494 N CA -0.099 53.027 53.050 0.126 0.000 0.937 494 N CB 0.907 39.490 38.487 0.160 0.000 1.163 494 N HN 0.639 nan 8.380 nan 0.000 0.509 495 S N 2.591 118.195 115.700 -0.161 0.000 2.555 495 S HA -0.030 4.440 4.470 0.001 0.000 0.230 495 S C 0.293 174.499 174.600 -0.657 0.000 0.978 495 S CA 0.621 58.537 58.200 -0.474 0.000 0.934 495 S CB -0.181 62.602 63.200 -0.695 0.000 0.766 495 S HN 0.634 nan 8.310 nan 0.000 0.533 496 Y N 1.122 121.506 120.300 0.139 0.000 2.500 496 Y HA 0.249 4.800 4.550 0.001 0.000 0.246 496 Y C 0.434 176.354 175.900 0.033 0.000 1.146 496 Y CA -1.412 56.760 58.100 0.121 0.000 1.230 496 Y CB 0.029 38.557 38.460 0.114 0.000 1.214 496 Y HN 0.243 nan 8.280 nan 0.000 0.526 497 D N -0.387 120.028 120.400 0.024 0.000 2.487 497 D HA 0.337 4.978 4.640 0.001 0.000 0.262 497 D C -0.040 176.122 176.300 -0.229 0.000 1.130 497 D CA -0.764 53.121 54.000 -0.191 0.000 1.038 497 D CB 0.752 41.406 40.800 -0.243 0.000 1.142 497 D HN 0.009 nan 8.370 nan 0.000 0.575 498 Q N -0.496 119.041 119.800 -0.437 0.000 3.576 498 Q HA 0.117 4.457 4.340 0.001 0.000 0.249 498 Q C -0.852 175.012 176.000 -0.226 0.000 0.771 498 Q CA -0.526 55.132 55.803 -0.242 0.000 0.897 498 Q CB -1.299 27.339 28.738 -0.167 0.000 1.551 498 Q HN 0.779 nan 8.270 nan 0.000 0.388 499 W N 0.883 122.187 121.300 0.007 0.000 2.595 499 W HA 0.133 4.793 4.660 0.001 0.000 0.257 499 W C 1.967 178.483 176.519 -0.006 0.000 1.267 499 W CA 0.887 58.233 57.345 0.002 0.000 1.300 499 W CB 0.273 29.734 29.460 0.001 0.000 1.120 499 W HN 0.626 nan 8.180 nan 0.000 0.618 500 G N 0.574 109.478 108.800 0.173 0.000 2.471 500 G HA2 -0.226 3.735 3.960 0.001 0.000 0.219 500 G HA3 -0.226 3.735 3.960 0.001 0.000 0.219 500 G C 1.401 176.338 174.900 0.063 0.000 1.125 500 G CA 1.371 46.530 45.100 0.099 0.000 0.775 500 G HN 0.293 nan 8.290 nan 0.000 0.548 501 V N -2.428 117.514 119.914 0.048 0.000 3.306 501 V HA 0.144 4.265 4.120 0.001 0.000 0.264 501 V C 1.981 178.101 176.094 0.043 0.000 1.149 501 V CA 1.420 63.734 62.300 0.023 0.000 1.143 501 V CB -0.111 31.706 31.823 -0.009 0.000 0.767 501 V HN 0.359 nan 8.190 nan 0.000 0.476 502 E N 0.511 120.764 120.200 0.089 0.000 2.077 502 E HA -0.194 4.156 4.350 0.001 0.000 0.193 502 E C 2.058 178.696 176.600 0.063 0.000 0.989 502 E CA 1.623 58.082 56.400 0.098 0.000 0.800 502 E CB -0.187 29.616 29.700 0.172 0.000 0.746 502 E HN 0.581 nan 8.360 nan 0.000 0.452 503 L N 0.781 122.037 121.223 0.054 0.000 2.017 503 L HA -0.061 4.280 4.340 0.001 0.000 0.208 503 L C 2.233 179.115 176.870 0.019 0.000 1.073 503 L CA 2.254 57.113 54.840 0.031 0.000 0.745 503 L CB -0.954 41.119 42.059 0.023 0.000 0.894 503 L HN 0.078 nan 8.230 nan 0.000 0.432 504 G N -0.757 108.053 108.800 0.015 0.000 2.442 504 G HA2 -0.286 3.675 3.960 0.001 0.000 0.219 504 G HA3 -0.286 3.675 3.960 0.001 0.000 0.219 504 G C 1.674 176.578 174.900 0.007 0.000 1.141 504 G CA 0.989 46.092 45.100 0.006 0.000 0.763 504 G HN 0.448 nan 8.290 nan 0.000 0.554 505 K N 0.174 120.582 120.400 0.013 0.000 2.025 505 K HA -0.034 4.287 4.320 0.001 0.000 0.207 505 K C 2.427 179.036 176.600 0.015 0.000 1.049 505 K CA 1.327 57.621 56.287 0.013 0.000 0.933 505 K CB -0.137 32.373 32.500 0.018 0.000 0.714 505 K HN 0.280 nan 8.250 nan 0.000 0.438 506 K N 1.402 121.814 120.400 0.020 0.000 2.026 506 K HA -0.100 4.221 4.320 0.001 0.000 0.208 506 K C 2.003 178.610 176.600 0.012 0.000 1.048 506 K CA 1.058 57.356 56.287 0.019 0.000 0.929 506 K CB -0.034 32.479 32.500 0.021 0.000 0.713 506 K HN 0.034 nan 8.250 nan 0.000 0.439 507 L N 0.021 121.249 121.223 0.008 0.000 2.141 507 L HA -0.069 4.271 4.340 0.001 0.000 0.209 507 L C 2.529 179.401 176.870 0.002 0.000 1.094 507 L CA 1.150 55.992 54.840 0.002 0.000 0.763 507 L CB -0.695 41.362 42.059 -0.003 0.000 0.908 507 L HN 0.455 nan 8.230 nan 0.000 0.437 508 G N 0.239 109.041 108.800 0.003 0.000 2.422 508 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 508 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 508 G C 1.707 176.611 174.900 0.008 0.000 1.146 508 G CA 0.415 45.516 45.100 0.003 0.000 0.769 508 G HN 0.306 nan 8.290 nan 0.000 0.547 509 K N 0.381 120.787 120.400 0.010 0.000 2.057 509 K HA -0.056 4.264 4.320 0.001 0.000 0.206 509 K C 2.342 178.951 176.600 0.016 0.000 1.050 509 K CA 1.123 57.418 56.287 0.014 0.000 0.935 509 K CB -0.129 32.380 32.500 0.016 0.000 0.715 509 K HN 0.142 nan 8.250 nan 0.000 0.439 510 N N 1.240 119.948 118.700 0.015 0.000 2.142 510 N HA -0.104 4.637 4.740 0.001 0.000 0.186 510 N C 1.862 177.385 175.510 0.021 0.000 1.023 510 N CA 1.079 54.140 53.050 0.017 0.000 0.852 510 N CB -0.200 38.293 38.487 0.010 0.000 0.998 510 N HN 0.165 nan 8.380 nan 0.000 0.424 511 I N 0.857 121.435 120.570 0.014 0.000 2.315 511 I HA -0.199 3.972 4.170 0.001 0.000 0.248 511 I C 2.097 178.232 176.117 0.031 0.000 1.117 511 I CA 0.660 61.969 61.300 0.016 0.000 1.404 511 I CB -0.132 37.870 38.000 0.002 0.000 1.071 511 I HN 0.066 nan 8.210 nan 0.000 0.419 512 L N 0.444 121.682 121.223 0.025 0.000 2.046 512 L HA -0.239 4.101 4.340 0.001 0.000 0.208 512 L C 2.575 179.466 176.870 0.035 0.000 1.077 512 L CA 1.567 56.423 54.840 0.027 0.000 0.747 512 L CB -0.457 41.613 42.059 0.019 0.000 0.896 512 L HN 0.182 nan 8.230 nan 0.000 0.432 513 K N 0.024 120.446 120.400 0.036 0.000 2.063 513 K HA -0.091 4.229 4.320 0.001 0.000 0.208 513 K C 1.191 177.831 176.600 0.067 0.000 1.048 513 K CA 0.916 57.228 56.287 0.042 0.000 0.928 513 K CB -0.239 32.284 32.500 0.038 0.000 0.713 513 K HN 0.290 nan 8.250 nan 0.000 0.442 517 D N 1.140 121.532 120.400 -0.012 0.000 2.312 517 D HA 0.104 4.744 4.640 0.001 0.000 0.229 517 D C -0.248 175.982 176.300 -0.115 0.000 1.337 517 D CA -0.270 53.698 54.000 -0.053 0.000 0.964 517 D CB 0.635 41.422 40.800 -0.022 0.000 1.456 517 D HN 0.009 nan 8.370 nan 0.000 0.547 518 D N 0.694 120.913 120.400 -0.301 0.000 2.378 518 D HA -0.110 4.530 4.640 0.001 0.000 0.227 518 D C 1.192 177.197 176.300 -0.491 0.000 1.012 518 D CA 0.656 54.179 54.000 -0.796 0.000 0.905 518 D CB -0.043 40.135 40.800 -1.037 0.000 0.895 518 D HN 0.158 nan 8.370 nan 0.000 0.532 519 S N -0.778 114.799 115.700 -0.206 0.000 2.605 519 S HA 0.104 4.574 4.470 0.001 0.000 0.217 519 S C 0.682 175.271 174.600 -0.019 0.000 0.958 519 S CA -0.378 57.767 58.200 -0.092 0.000 0.919 519 S CB -0.656 62.502 63.200 -0.069 0.000 0.780 519 S HN 0.265 nan 8.310 nan 0.000 0.507 520 S N 0.983 116.689 115.700 0.010 0.000 2.617 520 S HA 0.328 4.798 4.470 0.001 0.000 0.269 520 S C 0.338 174.987 174.600 0.082 0.000 1.292 520 S CA -0.483 57.746 58.200 0.048 0.000 1.010 520 S CB 0.684 63.920 63.200 0.060 0.000 0.944 520 S HN 0.162 nan 8.310 nan 0.000 0.536 521 D N 1.328 121.762 120.400 0.057 0.000 2.123 521 D HA -0.087 4.553 4.640 0.001 0.000 0.196 521 D C 1.735 178.074 176.300 0.064 0.000 0.992 521 D CA 1.547 55.580 54.000 0.054 0.000 0.833 521 D CB -0.438 40.383 40.800 0.034 0.000 0.954 521 D HN 0.732 nan 8.370 nan 0.000 0.455 522 E N -0.167 120.073 120.200 0.066 0.000 2.070 522 E HA -0.217 4.134 4.350 0.001 0.000 0.197 522 E C 1.975 178.622 176.600 0.078 0.000 1.004 522 E CA 0.954 57.390 56.400 0.061 0.000 0.805 522 E CB -0.492 29.244 29.700 0.061 0.000 0.744 522 E HN 0.469 nan 8.360 nan 0.000 0.451 523 Y N 1.173 121.473 120.300 -0.001 0.000 2.163 523 Y HA -0.264 4.286 4.550 0.001 0.000 0.288 523 Y C 2.537 178.436 175.900 -0.002 0.000 1.136 523 Y CA 2.136 60.235 58.100 -0.001 0.000 1.147 523 Y CB -0.072 38.387 38.460 -0.001 0.000 0.987 523 Y HN 0.093 nan 8.280 nan 0.000 0.509 524 Q N -0.014 119.907 119.800 0.202 0.000 2.170 524 Q HA -0.206 4.135 4.340 0.001 0.000 0.203 524 Q C 1.086 177.092 176.000 0.010 0.000 0.976 524 Q CA 1.789 57.659 55.803 0.111 0.000 0.858 524 Q CB -0.197 28.605 28.738 0.107 0.000 0.907 524 Q HN 0.412 nan 8.270 nan 0.000 0.433 525 N N 0.214 118.913 118.700 -0.002 0.000 2.412 525 N HA 0.110 4.850 4.740 0.001 0.000 0.184 525 N C -0.030 175.447 175.510 -0.055 0.000 1.101 525 N CA 0.202 53.239 53.050 -0.021 0.000 0.881 525 N CB 0.052 38.535 38.487 -0.006 0.000 0.969 525 N HN 0.234 nan 8.380 nan 0.000 0.459 526 L N 2.043 123.204 121.223 -0.104 0.000 2.506 526 L HA -0.019 4.322 4.340 0.001 0.000 0.281 526 L C 0.998 177.803 176.870 -0.110 0.000 1.228 526 L CA -0.150 54.612 54.840 -0.129 0.000 0.850 526 L CB 0.253 42.174 42.059 -0.230 0.000 1.110 526 L HN 0.248 nan 8.230 nan 0.000 0.496 527 D N 0.810 121.159 120.400 -0.085 0.000 2.368 527 D HA -0.109 4.532 4.640 0.001 0.000 0.240 527 D C 0.193 176.438 176.300 -0.091 0.000 1.169 527 D CA -0.410 53.547 54.000 -0.072 0.000 0.906 527 D CB 1.126 41.894 40.800 -0.054 0.000 1.187 527 D HN 0.545 nan 8.370 nan 0.000 0.435 528 D N -0.185 120.172 120.400 -0.072 0.000 2.317 528 D HA -0.149 4.491 4.640 0.001 0.000 0.211 528 D C 1.950 178.211 176.300 -0.065 0.000 0.966 528 D CA 0.791 54.747 54.000 -0.074 0.000 0.876 528 D CB 0.095 40.866 40.800 -0.048 0.000 0.927 528 D HN 0.361 nan 8.370 nan 0.000 0.519 529 S N -1.480 114.187 115.700 -0.054 0.000 2.355 529 S HA -0.132 4.339 4.470 0.001 0.000 0.222 529 S C 1.935 176.504 174.600 -0.052 0.000 1.031 529 S CA 1.861 60.035 58.200 -0.044 0.000 0.993 529 S CB -0.545 62.633 63.200 -0.036 0.000 0.859 529 S HN 0.241 nan 8.310 nan 0.000 0.453 530 T N 2.124 116.639 114.554 -0.065 0.000 2.684 530 T HA -0.109 4.241 4.350 0.001 0.000 0.267 530 T C 1.941 176.583 174.700 -0.098 0.000 1.036 530 T CA 1.592 63.650 62.100 -0.071 0.000 1.148 530 T CB -0.395 68.427 68.868 -0.077 0.000 0.863 530 T HN 0.459 nan 8.240 nan 0.000 0.436 531 R N 0.617 121.025 120.500 -0.153 0.000 2.083 531 R HA -0.129 4.211 4.340 0.001 0.000 0.237 531 R C 2.404 178.649 176.300 -0.092 0.000 1.137 531 R CA 1.347 57.313 56.100 -0.224 0.000 0.951 531 R CB -0.099 30.012 30.300 -0.315 0.000 0.851 531 R HN 0.270 nan 8.270 nan 0.000 0.434 532 Q N 0.342 120.109 119.800 -0.056 0.000 2.230 532 Q HA -0.069 4.271 4.340 0.001 0.000 0.202 532 Q C 2.199 178.195 176.000 -0.005 0.000 0.963 532 Q CA 0.904 56.698 55.803 -0.015 0.000 0.866 532 Q CB -0.055 28.675 28.738 -0.014 0.000 0.931 532 Q HN 0.420 nan 8.270 nan 0.000 0.452 533 L N -0.133 121.080 121.223 -0.016 0.000 2.056 533 L HA -0.140 4.201 4.340 0.001 0.000 0.207 533 L C 2.281 179.154 176.870 0.006 0.000 1.078 533 L CA 0.877 55.712 54.840 -0.008 0.000 0.749 533 L CB -0.360 41.690 42.059 -0.015 0.000 0.901 533 L HN 0.151 nan 8.230 nan 0.000 0.433 534 I N -0.308 120.267 120.570 0.009 0.000 2.226 534 I HA -0.299 3.872 4.170 0.001 0.000 0.245 534 I C 2.749 178.904 176.117 0.063 0.000 1.100 534 I CA 1.184 62.509 61.300 0.042 0.000 1.374 534 I CB -0.424 37.615 38.000 0.065 0.000 1.057 534 I HN 0.215 nan 8.210 nan 0.000 0.413 535 A N 0.532 123.394 122.820 0.070 0.000 1.933 535 A HA -0.182 4.138 4.320 0.001 0.000 0.218 535 A C 2.278 179.885 177.584 0.040 0.000 1.175 535 A CA 1.386 53.467 52.037 0.072 0.000 0.628 535 A CB -0.305 18.741 19.000 0.077 0.000 0.814 535 A HN 0.209 nan 8.150 nan 0.000 0.444 536 K N -0.218 120.198 120.400 0.026 0.000 2.148 536 K HA -0.029 4.292 4.320 0.001 0.000 0.204 536 K C 1.945 178.553 176.600 0.014 0.000 1.050 536 K CA 1.199 57.495 56.287 0.016 0.000 0.942 536 K CB -0.659 31.846 32.500 0.009 0.000 0.724 536 K HN 0.378 nan 8.250 nan 0.000 0.446 537 V N 2.035 121.959 119.914 0.017 0.000 2.358 537 V HA -0.175 3.945 4.120 0.001 0.000 0.246 537 V C 2.218 178.321 176.094 0.016 0.000 1.047 537 V CA 1.464 63.773 62.300 0.015 0.000 1.035 537 V CB -0.309 31.523 31.823 0.015 0.000 0.658 537 V HN 0.244 nan 8.190 nan 0.000 0.452 538 K N 0.350 120.763 120.400 0.023 0.000 2.209 538 K HA -0.123 4.198 4.320 0.001 0.000 0.204 538 K C 1.699 178.307 176.600 0.013 0.000 1.048 538 K CA 1.467 57.766 56.287 0.020 0.000 0.940 538 K CB -0.367 32.150 32.500 0.028 0.000 0.729 538 K HN 0.631 nan 8.250 nan 0.000 0.451 539 N N 0.892 119.600 118.700 0.014 0.000 2.278 539 N HA -0.082 4.658 4.740 0.001 0.000 0.181 539 N C 0.549 176.063 175.510 0.006 0.000 1.023 539 N CA -0.111 52.945 53.050 0.010 0.000 0.862 539 N CB 0.019 38.513 38.487 0.011 0.000 1.003 539 N HN 0.049 nan 8.380 nan 0.000 0.431 540 K N 0.000 120.404 120.400 0.006 0.000 2.780 540 K HA 0.000 4.320 4.320 0.001 0.000 0.191 540 K CA 0.000 56.289 56.287 0.004 0.000 0.838 540 K CB 0.000 32.502 32.500 0.003 0.000 1.064 540 K HN 0.000 nan 8.250 nan 0.000 0.543