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 2is6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDVSYLLDSL NDKQREAVAA PRSNLLVLAG AGSGKTRVLV HRIAWLMSVE DATA SEQUENCE NCSPYSIMAV TFTNKAAAEM RHRIGQLMGT SQGGMWVGTF HGLAHRLLRA DATA SEQUENCE HHMDANLPQD FQILDSEDQL RLLKRLIKAM NLDEKQWPPR QAMWYINSQK DATA SEQUENCE DEGLRPHHIQ SYGNPVEQTW QKVYQAYQEA CDRAGLVDFA ELLLRAHELW DATA SEQUENCE LNKPHILQHY RERFTNILVD EFQDTNNIQY AWIRLLAGDT GKVMIVGDDD DATA SEQUENCE QSIYGWRGAQ VENIQRFLND FPGAETIRLE QNYRSTSNIL SAANALIENN DATA SEQUENCE NGRLGKKLWT DGADGEPISL YCAFNELDEA RFVVNRIKTW QDNGGALAEC DATA SEQUENCE AILYRSNAQS RVLEEALLQA SMPYRIYGGM RFFERQEIKD ALSYLRLIVN DATA SEQUENCE RNDDAAFERV VNTPTRGIGD RTLDVVRQTS RDRQLTLWQA CRELLQEKAL DATA SEQUENCE AGRAASALQR FMELIDALAQ ETADMPLHVQ TDRVIKDSGL RTMYEQEKGE DATA SEQUENCE KGQTRIENLE ELVTATRQFS YNEXXEDLMP LQAFLSHAAL EAGEGQADTW DATA SEQUENCE QDAVQLMTLH SAKGLEFPQV FIVGMEEGMF PSQMSLDEGG RLEEERRLAY DATA SEQUENCE VGVTRAMQKL TLTYAETRRL YGKEVYHRPS RFIGELPEEC VEEVRLRATV DATA SEQUENCE SRPVSH 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.450 176.300 0.250 0.000 1.140 1 M CA 0.000 55.435 55.300 0.226 0.000 0.988 1 M CB 0.000 32.643 32.600 0.071 0.000 1.302 2 D N 1.902 122.461 120.400 0.265 0.000 2.659 2 D HA 0.552 5.389 4.640 0.329 0.000 0.264 2 D C 1.462 177.855 176.300 0.155 0.000 1.329 2 D CA 0.917 55.040 54.000 0.205 0.000 0.963 2 D CB -0.920 40.005 40.800 0.208 0.000 1.136 2 D HN 2.110 nan 8.370 nan 0.000 0.554 3 V N 1.889 121.802 119.914 -0.002 0.000 2.428 3 V HA -0.234 4.083 4.120 0.329 0.000 0.255 3 V C 2.876 178.976 176.094 0.009 0.000 1.080 3 V CA 3.311 65.579 62.300 -0.053 0.000 1.083 3 V CB -0.716 31.063 31.823 -0.074 0.000 0.665 3 V HN 0.745 nan 8.190 nan 0.000 0.461 4 S N -0.632 115.105 115.700 0.062 0.000 2.374 4 S HA -0.261 4.406 4.470 0.329 0.000 0.227 4 S C 2.102 176.754 174.600 0.087 0.000 1.037 4 S CA 2.142 60.393 58.200 0.085 0.000 1.024 4 S CB -0.581 62.677 63.200 0.097 0.000 0.861 4 S HN 1.157 nan 8.310 nan 0.000 0.456 5 Y N 0.695 121.014 120.300 0.031 0.000 2.509 5 Y HA 0.278 5.025 4.550 0.328 0.000 0.293 5 Y C 1.563 177.467 175.900 0.007 0.000 1.133 5 Y CA 0.595 58.703 58.100 0.014 0.000 1.283 5 Y CB -0.404 38.048 38.460 -0.013 0.000 1.001 5 Y HN 0.216 nan 8.280 nan 0.000 0.555 6 L N -0.044 120.818 121.223 -0.602 0.000 2.341 6 L HA 0.036 4.573 4.340 0.329 0.000 0.214 6 L C 1.623 178.473 176.870 -0.034 0.000 1.115 6 L CA 0.605 55.149 54.840 -0.493 0.000 0.820 6 L CB -0.093 41.740 42.059 -0.376 0.000 0.944 6 L HN 0.323 nan 8.230 nan 0.000 0.452 7 L N -1.989 119.246 121.223 0.020 0.000 2.701 7 L HA 0.108 4.645 4.340 0.329 0.000 0.238 7 L C 1.657 178.558 176.870 0.050 0.000 1.106 7 L CA -0.223 54.651 54.840 0.056 0.000 0.898 7 L CB -0.203 41.892 42.059 0.060 0.000 1.188 7 L HN 0.061 nan 8.230 nan 0.000 0.508 8 D N 1.363 121.799 120.400 0.060 0.000 2.160 8 D HA -0.247 4.590 4.640 0.329 0.000 0.189 8 D C 2.238 178.564 176.300 0.043 0.000 1.003 8 D CA 2.390 56.425 54.000 0.059 0.000 0.846 8 D CB -0.020 40.825 40.800 0.075 0.000 0.949 8 D HN 0.399 nan 8.370 nan 0.000 0.446 9 S N 0.133 115.855 115.700 0.036 0.000 2.436 9 S HA -0.021 4.646 4.470 0.329 0.000 0.228 9 S C 1.336 175.901 174.600 -0.060 0.000 1.014 9 S CA -0.108 58.084 58.200 -0.014 0.000 0.950 9 S CB -0.484 62.688 63.200 -0.047 0.000 0.784 9 S HN 0.169 nan 8.310 nan 0.000 0.504 10 L N 3.362 124.549 121.223 -0.060 0.000 2.514 10 L HA 0.149 4.686 4.340 0.329 0.000 0.280 10 L C 0.637 177.498 176.870 -0.015 0.000 1.223 10 L CA -0.328 54.462 54.840 -0.083 0.000 0.864 10 L CB -0.368 41.642 42.059 -0.081 0.000 1.118 10 L HN 0.442 nan 8.230 nan 0.000 0.494 11 N N 0.348 119.056 118.700 0.014 0.000 2.476 11 N HA 0.123 5.060 4.740 0.329 0.000 0.287 11 N C 0.295 175.827 175.510 0.037 0.000 1.262 11 N CA -0.664 52.431 53.050 0.076 0.000 0.980 11 N CB 0.401 38.985 38.487 0.161 0.000 1.163 11 N HN 0.410 nan 8.380 nan 0.000 0.592 12 D N -0.250 120.183 120.400 0.055 0.000 2.160 12 D HA -0.182 4.656 4.640 0.329 0.000 0.189 12 D C 1.390 177.694 176.300 0.006 0.000 1.003 12 D CA 1.685 55.704 54.000 0.032 0.000 0.846 12 D CB -0.073 40.758 40.800 0.051 0.000 0.949 12 D HN 0.471 nan 8.370 nan 0.000 0.446 13 K N 0.465 120.875 120.400 0.017 0.000 2.097 13 K HA -0.058 4.459 4.320 0.329 0.000 0.205 13 K C 2.235 178.810 176.600 -0.042 0.000 1.050 13 K CA 0.737 57.020 56.287 -0.007 0.000 0.938 13 K CB -0.313 32.193 32.500 0.009 0.000 0.718 13 K HN 0.399 nan 8.250 nan 0.000 0.442 14 Q N 0.247 120.021 119.800 -0.044 0.000 2.050 14 Q HA -0.083 4.454 4.340 0.329 0.000 0.202 14 Q C 2.269 178.197 176.000 -0.119 0.000 0.980 14 Q CA 1.165 56.915 55.803 -0.088 0.000 0.840 14 Q CB -0.132 28.544 28.738 -0.104 0.000 0.898 14 Q HN 0.245 nan 8.270 nan 0.000 0.424 15 R N 0.721 121.159 120.500 -0.104 0.000 2.091 15 R HA -0.183 4.354 4.340 0.329 0.000 0.238 15 R C 2.257 178.440 176.300 -0.194 0.000 1.136 15 R CA 1.480 57.493 56.100 -0.146 0.000 0.959 15 R CB -0.241 30.002 30.300 -0.094 0.000 0.856 15 R HN 0.383 nan 8.270 nan 0.000 0.437 16 E N 0.559 120.680 120.200 -0.131 0.000 2.085 16 E HA -0.221 4.326 4.350 0.329 0.000 0.194 16 E C 1.854 178.356 176.600 -0.163 0.000 0.994 16 E CA 1.428 57.751 56.400 -0.128 0.000 0.801 16 E CB -0.025 29.631 29.700 -0.072 0.000 0.743 16 E HN 0.370 nan 8.360 nan 0.000 0.453 17 A N 0.316 123.046 122.820 -0.150 0.000 1.872 17 A HA -0.085 4.432 4.320 0.329 0.000 0.214 17 A C 2.405 179.855 177.584 -0.223 0.000 1.187 17 A CA 1.312 53.260 52.037 -0.150 0.000 0.614 17 A CB -0.560 18.372 19.000 -0.114 0.000 0.826 17 A HN 0.221 nan 8.150 nan 0.000 0.442 18 V N -0.365 119.382 119.914 -0.278 0.000 2.358 18 V HA -0.119 4.198 4.120 0.329 0.000 0.246 18 V C 2.363 177.924 176.094 -0.887 0.000 1.047 18 V CA 1.744 63.813 62.300 -0.384 0.000 1.035 18 V CB -0.876 30.783 31.823 -0.274 0.000 0.658 18 V HN 0.562 nan 8.190 nan 0.000 0.452 19 A N -0.409 121.808 122.820 -1.004 0.000 2.640 19 A HA 0.696 5.214 4.320 0.329 0.000 0.282 19 A C 0.698 177.895 177.584 -0.645 0.000 1.357 19 A CA 0.423 51.530 52.037 -1.551 0.000 0.946 19 A CB -0.594 17.688 19.000 -1.196 0.000 1.065 19 A HN 0.455 nan 8.150 nan 0.000 0.541 20 A N 0.569 123.134 122.820 -0.425 0.000 2.264 20 A HA 0.735 5.252 4.320 0.329 0.000 0.304 20 A C -2.529 175.048 177.584 -0.012 0.000 1.100 20 A CA -1.594 50.352 52.037 -0.152 0.000 0.839 20 A CB -0.005 18.926 19.000 -0.116 0.000 1.121 20 A HN 0.288 nan 8.150 nan 0.000 0.496 21 P HA 0.190 nan 4.420 nan 0.000 0.270 21 P C -0.575 176.769 177.300 0.074 0.000 1.223 21 P CA -0.171 62.978 63.100 0.081 0.000 0.785 21 P CB 0.361 32.094 31.700 0.055 0.000 0.923 22 R N 1.427 121.981 120.500 0.090 0.000 2.421 22 R HA 0.377 4.915 4.340 0.329 0.000 0.305 22 R C 0.086 176.422 176.300 0.060 0.000 1.039 22 R CA 0.493 56.641 56.100 0.080 0.000 1.003 22 R CB -0.167 30.181 30.300 0.080 0.000 0.959 22 R HN 0.674 nan 8.270 nan 0.000 0.427 23 S N 1.674 117.409 115.700 0.060 0.000 2.627 23 S HA 0.202 4.869 4.470 0.329 0.000 0.268 23 S C -1.202 173.445 174.600 0.079 0.000 1.130 23 S CA -1.319 56.916 58.200 0.058 0.000 0.819 23 S CB 0.884 64.109 63.200 0.043 0.000 1.100 23 S HN 0.465 nan 8.310 nan 0.000 0.465 24 N N 0.793 119.548 118.700 0.091 0.000 2.431 24 N HA 0.494 5.431 4.740 0.329 0.000 0.265 24 N C -0.989 174.627 175.510 0.176 0.000 1.184 24 N CA -0.074 53.069 53.050 0.154 0.000 0.943 24 N CB 0.755 39.286 38.487 0.072 0.000 1.080 24 N HN 0.649 nan 8.380 nan 0.000 0.477 25 L N 2.667 124.011 121.223 0.201 0.000 2.401 25 L HA 0.582 5.119 4.340 0.329 0.000 0.266 25 L C -1.538 175.327 176.870 -0.009 0.000 0.991 25 L CA -0.997 53.909 54.840 0.110 0.000 0.818 25 L CB 1.955 44.026 42.059 0.021 0.000 1.321 25 L HN 0.345 nan 8.230 nan 0.000 0.413 26 L N 5.274 126.480 121.223 -0.029 0.000 2.325 26 L HA 0.697 5.234 4.340 0.329 0.000 0.281 26 L C -1.427 175.369 176.870 -0.122 0.000 1.004 26 L CA -0.303 54.416 54.840 -0.201 0.000 0.823 26 L CB 1.803 43.777 42.059 -0.141 0.000 1.236 26 L HN 0.365 nan 8.230 nan 0.000 0.415 27 V N 6.541 126.368 119.914 -0.144 0.000 2.311 27 V HA 0.401 4.718 4.120 0.329 0.000 0.275 27 V C -0.367 175.682 176.094 -0.074 0.000 1.022 27 V CA -0.399 61.848 62.300 -0.089 0.000 0.830 27 V CB 1.093 32.865 31.823 -0.085 0.000 1.012 27 V HN 0.670 nan 8.190 nan 0.000 0.452 28 L N 5.430 126.624 121.223 -0.048 0.000 2.287 28 L HA 0.947 5.484 4.340 0.329 0.000 0.287 28 L C -0.018 176.845 176.870 -0.012 0.000 1.022 28 L CA 0.109 54.933 54.840 -0.026 0.000 0.814 28 L CB 1.168 43.215 42.059 -0.019 0.000 1.217 28 L HN 0.760 nan 8.230 nan 0.000 0.420 29 A N 3.139 125.959 122.820 -0.001 0.000 2.597 29 A HA 0.699 5.216 4.320 0.329 0.000 0.292 29 A C -0.297 177.305 177.584 0.030 0.000 1.057 29 A CA -0.224 51.816 52.037 0.005 0.000 0.674 29 A CB 0.278 19.271 19.000 -0.011 0.000 1.278 29 A HN 0.954 nan 8.150 nan 0.000 0.416 30 G N -0.000 108.825 108.800 0.043 0.000 2.684 30 G HA2 0.625 4.782 3.960 0.329 0.000 0.255 30 G HA3 0.625 4.782 3.960 0.329 0.000 0.255 30 G C 0.663 175.620 174.900 0.094 0.000 1.219 30 G CA 0.267 45.437 45.100 0.117 0.000 0.901 30 G HN 2.094 nan 8.290 nan 0.000 0.548 31 A N -1.056 121.845 122.820 0.135 0.000 2.531 31 A HA 0.502 5.019 4.320 0.329 0.000 0.236 31 A C 1.684 179.245 177.584 -0.039 0.000 1.062 31 A CA 1.173 53.208 52.037 -0.002 0.000 0.760 31 A CB -0.496 18.405 19.000 -0.166 0.000 0.995 31 A HN 2.640 nan 8.150 nan 0.000 0.501 32 G N 1.035 109.809 108.800 -0.044 0.000 2.249 32 G HA2 -0.224 3.933 3.960 0.329 0.000 0.273 32 G HA3 -0.224 3.933 3.960 0.329 0.000 0.273 32 G C 0.749 175.644 174.900 -0.009 0.000 1.036 32 G CA 1.168 46.246 45.100 -0.037 0.000 0.824 32 G HN 2.114 nan 8.290 nan 0.000 0.504 33 S N -1.261 114.432 115.700 -0.012 0.000 2.556 33 S HA 0.464 5.131 4.470 0.329 0.000 0.216 33 S C 1.808 176.423 174.600 0.025 0.000 0.970 33 S CA 0.860 59.061 58.200 0.001 0.000 0.912 33 S CB 0.644 63.818 63.200 -0.045 0.000 0.790 33 S HN 2.257 nan 8.310 nan 0.000 0.504 34 G N 1.706 110.492 108.800 -0.022 0.000 2.140 34 G HA2 -0.247 3.910 3.960 0.329 0.000 0.211 34 G HA3 -0.247 3.910 3.960 0.329 0.000 0.211 34 G C 0.627 175.466 174.900 -0.101 0.000 1.013 34 G CA 0.300 45.342 45.100 -0.096 0.000 0.705 34 G HN 0.488 nan 8.290 nan 0.000 0.508 35 K N -0.598 119.764 120.400 -0.065 0.000 2.057 35 K HA -0.056 4.461 4.320 0.329 0.000 0.207 35 K C 2.568 179.131 176.600 -0.062 0.000 1.049 35 K CA 1.809 58.060 56.287 -0.059 0.000 0.931 35 K CB -0.237 32.243 32.500 -0.033 0.000 0.714 35 K HN 0.335 nan 8.250 nan 0.000 0.440 36 T N 0.763 115.285 114.554 -0.053 0.000 2.867 36 T HA -0.127 4.420 4.350 0.329 0.000 0.268 36 T C 1.798 176.461 174.700 -0.062 0.000 1.057 36 T CA 1.267 63.342 62.100 -0.041 0.000 1.136 36 T CB -0.108 68.742 68.868 -0.029 0.000 0.874 36 T HN 0.209 nan 8.240 nan 0.000 0.466 37 R N 0.919 121.348 120.500 -0.118 0.000 2.073 37 R HA -0.049 4.488 4.340 0.329 0.000 0.234 37 R C 2.216 178.361 176.300 -0.259 0.000 1.134 37 R CA 1.269 57.240 56.100 -0.216 0.000 0.952 37 R CB -0.920 29.192 30.300 -0.314 0.000 0.850 37 R HN 0.190 nan 8.270 nan 0.000 0.433 38 V N 1.102 120.897 119.914 -0.200 0.000 2.332 38 V HA -0.248 4.069 4.120 0.329 0.000 0.248 38 V C 2.319 178.376 176.094 -0.061 0.000 1.055 38 V CA 2.021 64.232 62.300 -0.149 0.000 1.038 38 V CB -0.524 31.226 31.823 -0.121 0.000 0.651 38 V HN 0.428 nan 8.190 nan 0.000 0.450 39 L N -0.434 120.764 121.223 -0.042 0.000 1.994 39 L HA -0.170 4.367 4.340 0.329 0.000 0.208 39 L C 2.401 179.296 176.870 0.042 0.000 1.071 39 L CA 1.764 56.601 54.840 -0.004 0.000 0.745 39 L CB -0.197 41.858 42.059 -0.006 0.000 0.892 39 L HN 0.159 nan 8.230 nan 0.000 0.431 40 V N -0.462 119.489 119.914 0.062 0.000 2.295 40 V HA -0.344 3.973 4.120 0.329 0.000 0.246 40 V C 2.332 178.535 176.094 0.182 0.000 1.049 40 V CA 2.181 64.551 62.300 0.116 0.000 1.024 40 V CB -1.010 30.894 31.823 0.134 0.000 0.648 40 V HN 0.561 nan 8.190 nan 0.000 0.447 41 H N -0.606 118.459 119.070 -0.009 0.000 2.457 41 H HA -0.145 4.609 4.556 0.329 0.000 0.294 41 H C 2.563 177.912 175.328 0.036 0.000 1.064 41 H CA 1.302 57.346 56.048 -0.006 0.000 1.330 41 H CB 0.189 29.923 29.762 -0.047 0.000 1.395 41 H HN 0.195 nan 8.280 nan 0.000 0.541 42 R N 1.739 122.324 120.500 0.142 0.000 2.081 42 R HA -0.085 4.452 4.340 0.329 0.000 0.235 42 R C 2.119 178.515 176.300 0.159 0.000 1.131 42 R CA 1.090 57.255 56.100 0.108 0.000 0.960 42 R CB -0.792 29.530 30.300 0.038 0.000 0.856 42 R HN 0.315 nan 8.270 nan 0.000 0.436 43 I N 0.289 120.932 120.570 0.121 0.000 2.226 43 I HA -0.251 4.116 4.170 0.329 0.000 0.245 43 I C 2.279 178.463 176.117 0.112 0.000 1.100 43 I CA 1.415 62.780 61.300 0.110 0.000 1.374 43 I CB -0.487 37.564 38.000 0.086 0.000 1.057 43 I HN 0.308 nan 8.210 nan 0.000 0.413 44 A N 0.654 123.533 122.820 0.098 0.000 1.902 44 A HA -0.255 4.262 4.320 0.329 0.000 0.217 44 A C 2.265 179.904 177.584 0.092 0.000 1.181 44 A CA 1.291 53.365 52.037 0.062 0.000 0.623 44 A CB -1.073 17.913 19.000 -0.024 0.000 0.818 44 A HN 0.721 nan 8.150 nan 0.000 0.443 45 W N 0.728 121.998 121.300 -0.049 0.000 2.358 45 W HA -0.136 4.721 4.660 0.329 0.000 0.303 45 W C 1.625 178.137 176.519 -0.012 0.000 1.208 45 W CA 1.610 58.929 57.345 -0.042 0.000 1.274 45 W CB -0.434 29.006 29.460 -0.032 0.000 1.138 45 W HN 0.314 nan 8.180 nan 0.000 0.515 46 L N 0.291 121.665 121.223 0.251 0.000 2.079 46 L HA -0.282 4.256 4.340 0.329 0.000 0.210 46 L C 2.705 179.592 176.870 0.028 0.000 1.081 46 L CA 1.483 56.411 54.840 0.147 0.000 0.752 46 L CB -0.658 41.491 42.059 0.150 0.000 0.896 46 L HN -0.043 nan 8.230 nan 0.000 0.433 47 M N -1.251 118.363 119.600 0.023 0.000 2.288 47 M HA -0.111 4.566 4.480 0.329 0.000 0.266 47 M C 2.439 178.708 176.300 -0.052 0.000 1.072 47 M CA 1.725 57.027 55.300 0.002 0.000 1.132 47 M CB -0.030 32.590 32.600 0.032 0.000 1.386 47 M HN 0.354 nan 8.290 nan 0.000 0.432 48 S N -1.090 114.543 115.700 -0.111 0.000 2.427 48 S HA 0.040 4.708 4.470 0.329 0.000 0.224 48 S C 1.663 176.098 174.600 -0.274 0.000 1.047 48 S CA 0.301 58.407 58.200 -0.156 0.000 0.953 48 S CB -0.456 62.662 63.200 -0.137 0.000 0.824 48 S HN 0.224 nan 8.310 nan 0.000 0.502 49 V N 2.094 121.712 119.914 -0.494 0.000 2.426 49 V HA 0.117 4.434 4.120 0.329 0.000 0.242 49 V C 2.309 178.200 176.094 -0.337 0.000 1.036 49 V CA 1.272 63.204 62.300 -0.613 0.000 1.044 49 V CB -0.463 30.517 31.823 -1.405 0.000 0.688 49 V HN 0.420 nan 8.190 nan 0.000 0.462 50 E N 0.151 120.202 120.200 -0.248 0.000 2.489 50 E HA 0.035 4.582 4.350 0.329 0.000 0.193 50 E C 0.108 176.674 176.600 -0.057 0.000 1.057 50 E CA -0.133 56.218 56.400 -0.082 0.000 0.866 50 E CB -0.234 29.476 29.700 0.017 0.000 0.916 50 E HN 0.538 nan 8.360 nan 0.000 0.500 51 N N 0.497 119.148 118.700 -0.081 0.000 2.710 51 N HA -0.180 4.757 4.740 0.329 0.000 0.249 51 N C -0.387 175.115 175.510 -0.014 0.000 1.059 51 N CA 0.649 53.671 53.050 -0.047 0.000 0.720 51 N CB -2.219 36.241 38.487 -0.045 0.000 0.983 51 N HN 0.194 nan 8.380 nan 0.000 0.544 52 C N 0.593 119.895 119.300 0.003 0.000 2.605 52 C HA 0.309 4.966 4.460 0.329 0.000 0.404 52 C C 1.613 176.629 174.990 0.044 0.000 1.284 52 C CA -0.566 58.468 59.018 0.027 0.000 2.199 52 C CB 1.083 28.851 27.740 0.047 0.000 2.647 52 C HN 0.490 nan 8.230 nan 0.000 0.604 53 S N 2.590 118.325 115.700 0.057 0.000 2.565 53 S HA 0.189 4.856 4.470 0.329 0.000 0.276 53 S C -1.427 173.259 174.600 0.145 0.000 1.326 53 S CA -0.876 57.387 58.200 0.105 0.000 1.045 53 S CB 0.755 64.017 63.200 0.104 0.000 0.918 53 S HN 0.574 nan 8.310 nan 0.000 0.505 54 P HA -0.087 nan 4.420 nan 0.000 0.217 54 P C 0.379 177.733 177.300 0.090 0.000 1.148 54 P CA 1.278 64.440 63.100 0.103 0.000 0.828 54 P CB -0.081 31.649 31.700 0.051 0.000 0.783 55 Y N -0.219 120.109 120.300 0.048 0.000 2.574 55 Y HA -0.074 4.673 4.550 0.329 0.000 0.294 55 Y C 2.132 177.980 175.900 -0.086 0.000 1.142 55 Y CA 1.302 59.401 58.100 -0.002 0.000 1.314 55 Y CB -1.077 37.341 38.460 -0.069 0.000 0.991 55 Y HN 0.087 nan 8.280 nan 0.000 0.555 56 S N -1.052 114.719 115.700 0.117 0.000 2.577 56 S HA 0.264 4.931 4.470 0.329 0.000 0.219 56 S C 0.167 174.911 174.600 0.238 0.000 0.962 56 S CA -0.289 57.953 58.200 0.070 0.000 0.921 56 S CB -0.661 62.560 63.200 0.035 0.000 0.789 56 S HN 0.196 nan 8.310 nan 0.000 0.497 57 I N 2.169 122.909 120.570 0.282 0.000 2.378 57 I HA 0.464 4.831 4.170 0.329 0.000 0.291 57 I C -0.391 175.857 176.117 0.219 0.000 0.992 57 I CA -0.508 60.933 61.300 0.236 0.000 1.154 57 I CB 1.855 39.945 38.000 0.150 0.000 1.315 57 I HN 0.232 nan 8.210 nan 0.000 0.448 58 M N 6.298 125.943 119.600 0.076 0.000 2.190 58 M HA 0.672 5.349 4.480 0.329 0.000 0.312 58 M C -1.378 174.927 176.300 0.008 0.000 0.990 58 M CA -0.480 54.774 55.300 -0.078 0.000 0.927 58 M CB 1.637 34.009 32.600 -0.379 0.000 1.571 58 M HN 0.680 nan 8.290 nan 0.000 0.427 59 A N 5.027 127.867 122.820 0.033 0.000 2.273 59 A HA 0.763 5.280 4.320 0.329 0.000 0.315 59 A C -1.504 176.064 177.584 -0.028 0.000 1.256 59 A CA -0.602 51.445 52.037 0.016 0.000 0.851 59 A CB 1.359 20.378 19.000 0.031 0.000 1.172 59 A HN 0.735 nan 8.150 nan 0.000 0.508 60 V N 1.986 121.850 119.914 -0.083 0.000 3.078 60 V HA 0.954 5.272 4.120 0.329 0.000 0.311 60 V C -0.313 175.589 176.094 -0.320 0.000 1.138 60 V CA 0.399 62.546 62.300 -0.255 0.000 1.007 60 V CB 2.465 34.056 31.823 -0.387 0.000 1.045 60 V HN 1.325 nan 8.190 nan 0.000 0.432 61 T N 1.984 116.270 114.554 -0.448 0.000 2.700 61 T HA 0.314 4.862 4.350 0.329 0.000 0.307 61 T C -0.360 174.337 174.700 -0.004 0.000 1.580 61 T CA 0.299 62.303 62.100 -0.161 0.000 0.992 61 T CB 1.205 70.073 68.868 -0.001 0.000 1.577 61 T HN 0.636 nan 8.240 nan 0.000 0.496 62 F N 2.321 122.356 119.950 0.142 0.000 2.094 62 F HA 0.241 4.964 4.527 0.326 0.000 0.291 62 F C 1.560 177.360 175.800 0.001 0.000 1.109 62 F CA 1.803 59.894 58.000 0.152 0.000 1.221 62 F CB -0.585 38.400 39.000 -0.024 0.000 1.014 62 F HN 0.670 nan 8.300 nan 0.000 0.473 63 T N -0.434 113.927 114.554 -0.321 0.000 2.910 63 T HA 0.149 4.697 4.350 0.329 0.000 0.293 63 T C 0.986 175.535 174.700 -0.252 0.000 1.015 63 T CA -0.579 61.256 62.100 -0.443 0.000 1.094 63 T CB 0.885 69.626 68.868 -0.212 0.000 0.968 63 T HN 0.207 nan 8.240 nan 0.000 0.521 64 N N 1.379 119.921 118.700 -0.264 0.000 2.166 64 N HA -0.094 4.843 4.740 0.329 0.000 0.186 64 N C 1.764 177.195 175.510 -0.132 0.000 1.019 64 N CA 0.945 53.888 53.050 -0.179 0.000 0.856 64 N CB -0.141 38.242 38.487 -0.174 0.000 0.993 64 N HN 0.543 nan 8.380 nan 0.000 0.426 65 K N 1.302 121.620 120.400 -0.136 0.000 2.002 65 K HA -0.003 4.515 4.320 0.329 0.000 0.209 65 K C 2.009 178.556 176.600 -0.088 0.000 1.048 65 K CA 1.043 57.253 56.287 -0.128 0.000 0.930 65 K CB -0.622 31.804 32.500 -0.123 0.000 0.714 65 K HN 0.141 nan 8.250 nan 0.000 0.438 66 A N 1.293 124.077 122.820 -0.060 0.000 1.930 66 A HA -0.052 4.465 4.320 0.329 0.000 0.217 66 A C 2.392 179.956 177.584 -0.033 0.000 1.175 66 A CA 1.955 53.974 52.037 -0.030 0.000 0.627 66 A CB -0.526 18.480 19.000 0.010 0.000 0.815 66 A HN 0.314 nan 8.150 nan 0.000 0.443 67 A N -0.057 122.731 122.820 -0.053 0.000 1.902 67 A HA 0.176 4.693 4.320 0.329 0.000 0.217 67 A C 2.482 180.049 177.584 -0.028 0.000 1.181 67 A CA 1.961 53.968 52.037 -0.049 0.000 0.623 67 A CB -0.964 17.991 19.000 -0.075 0.000 0.818 67 A HN 1.039 nan 8.150 nan 0.000 0.443 68 A N -0.390 122.407 122.820 -0.037 0.000 1.972 68 A HA -0.129 4.388 4.320 0.329 0.000 0.219 68 A C 1.954 179.545 177.584 0.012 0.000 1.169 68 A CA 2.112 54.139 52.037 -0.016 0.000 0.635 68 A CB -0.411 18.562 19.000 -0.045 0.000 0.810 68 A HN 0.538 nan 8.150 nan 0.000 0.446 69 E N -0.093 120.100 120.200 -0.011 0.000 2.072 69 E HA -0.133 4.414 4.350 0.329 0.000 0.191 69 E C 2.001 178.632 176.600 0.052 0.000 0.985 69 E CA 1.551 57.957 56.400 0.011 0.000 0.801 69 E CB -0.356 29.326 29.700 -0.030 0.000 0.750 69 E HN 0.609 nan 8.360 nan 0.000 0.452 70 M N -0.234 119.381 119.600 0.026 0.000 2.067 70 M HA -0.162 4.515 4.480 0.329 0.000 0.260 70 M C 2.576 178.901 176.300 0.041 0.000 1.069 70 M CA 1.858 57.175 55.300 0.029 0.000 1.117 70 M CB -0.383 32.225 32.600 0.014 0.000 1.334 70 M HN 0.085 nan 8.290 nan 0.000 0.407 71 R N -0.490 120.035 120.500 0.041 0.000 2.096 71 R HA -0.232 4.305 4.340 0.329 0.000 0.240 71 R C 2.437 178.773 176.300 0.060 0.000 1.139 71 R CA 1.895 58.022 56.100 0.045 0.000 0.952 71 R CB -0.568 29.756 30.300 0.040 0.000 0.854 71 R HN 0.504 nan 8.270 nan 0.000 0.436 72 H N 0.503 119.573 119.070 0.000 0.000 2.321 72 H HA -0.089 4.665 4.556 0.329 0.000 0.300 72 H C 1.867 177.202 175.328 0.012 0.000 1.087 72 H CA 1.848 57.898 56.048 0.004 0.000 1.319 72 H CB 0.109 29.867 29.762 -0.007 0.000 1.379 72 H HN 0.224 nan 8.280 nan 0.000 0.501 73 R N -0.006 120.468 120.500 -0.043 0.000 2.115 73 R HA -0.058 4.479 4.340 0.329 0.000 0.230 73 R C 2.674 178.938 176.300 -0.061 0.000 1.111 73 R CA 1.184 57.237 56.100 -0.079 0.000 0.976 73 R CB -0.075 30.245 30.300 0.034 0.000 0.870 73 R HN 0.378 nan 8.270 nan 0.000 0.445 74 I N 0.131 120.688 120.570 -0.022 0.000 2.315 74 I HA -0.165 4.203 4.170 0.329 0.000 0.248 74 I C 2.469 178.569 176.117 -0.027 0.000 1.117 74 I CA 1.338 62.638 61.300 -0.000 0.000 1.404 74 I CB -0.482 37.531 38.000 0.021 0.000 1.071 74 I HN 0.292 nan 8.210 nan 0.000 0.419 75 G N -0.102 108.658 108.800 -0.067 0.000 2.402 75 G HA2 -0.188 3.969 3.960 0.329 0.000 0.216 75 G HA3 -0.188 3.969 3.960 0.329 0.000 0.216 75 G C 1.551 176.393 174.900 -0.097 0.000 1.162 75 G CA 0.223 45.281 45.100 -0.071 0.000 0.777 75 G HN 0.266 nan 8.290 nan 0.000 0.539 76 Q N -0.399 119.299 119.800 -0.171 0.000 2.167 76 Q HA 0.051 4.588 4.340 0.329 0.000 0.202 76 Q C 2.440 178.405 176.000 -0.059 0.000 0.970 76 Q CA 0.618 56.337 55.803 -0.140 0.000 0.855 76 Q CB -0.275 28.337 28.738 -0.212 0.000 0.911 76 Q HN 0.498 nan 8.270 nan 0.000 0.438 77 L N -0.791 120.415 121.223 -0.029 0.000 2.168 77 L HA 0.096 4.634 4.340 0.329 0.000 0.203 77 L C 1.759 178.660 176.870 0.051 0.000 1.078 77 L CA 1.360 56.215 54.840 0.025 0.000 0.780 77 L CB 0.027 42.090 42.059 0.006 0.000 0.939 77 L HN 0.053 nan 8.230 nan 0.000 0.451 78 M N -0.658 118.959 119.600 0.028 0.000 2.333 78 M HA 0.396 5.073 4.480 0.329 0.000 0.257 78 M C 0.664 176.965 176.300 0.002 0.000 1.078 78 M CA 0.328 55.650 55.300 0.037 0.000 1.005 78 M CB 0.199 32.826 32.600 0.046 0.000 1.444 78 M HN 0.273 nan 8.290 nan 0.000 0.496 79 G N 0.918 109.707 108.800 -0.018 0.000 2.814 79 G HA2 -0.247 3.911 3.960 0.329 0.000 0.677 79 G HA3 -0.247 3.911 3.960 0.329 0.000 0.677 79 G C 0.415 175.306 174.900 -0.015 0.000 1.429 79 G CA -0.130 44.955 45.100 -0.025 0.000 0.868 79 G HN 0.440 nan 8.290 nan 0.000 0.553 80 T N -2.254 112.291 114.554 -0.014 0.000 3.139 80 T HA 0.188 4.735 4.350 0.329 0.000 0.267 80 T C 1.666 176.367 174.700 0.002 0.000 1.164 80 T CA 1.523 63.620 62.100 -0.005 0.000 1.075 80 T CB 0.014 68.879 68.868 -0.004 0.000 0.904 80 T HN 1.817 nan 8.240 nan 0.000 0.540 81 S N 2.574 118.275 115.700 0.002 0.000 3.900 81 S HA 0.123 4.790 4.470 0.329 0.000 0.248 81 S C 0.836 175.446 174.600 0.016 0.000 1.310 81 S CA -0.722 57.484 58.200 0.010 0.000 0.915 81 S CB -0.621 62.583 63.200 0.008 0.000 1.588 81 S HN 0.797 nan 8.310 nan 0.000 0.472 82 Q N 2.303 122.111 119.800 0.013 0.000 2.023 82 Q HA 0.265 4.802 4.340 0.329 0.000 0.221 82 Q C 0.633 176.623 176.000 -0.016 0.000 0.806 82 Q CA -0.713 55.097 55.803 0.011 0.000 1.052 82 Q CB -0.235 28.515 28.738 0.020 0.000 1.229 82 Q HN 0.552 nan 8.270 nan 0.000 0.440 83 G N 0.444 109.232 108.800 -0.021 0.000 2.464 83 G HA2 0.261 4.419 3.960 0.329 0.000 0.231 83 G HA3 0.261 4.419 3.960 0.329 0.000 0.231 83 G C 1.087 175.804 174.900 -0.305 0.000 1.267 83 G CA 0.607 45.666 45.100 -0.068 0.000 0.863 83 G HN 0.766 nan 8.290 nan 0.000 0.559 84 G N 1.050 109.574 108.800 -0.459 0.000 2.241 84 G HA2 -0.283 3.874 3.960 0.329 0.000 0.244 84 G HA3 -0.283 3.874 3.960 0.329 0.000 0.244 84 G C 0.597 175.272 174.900 -0.376 0.000 0.998 84 G CA 0.584 44.971 45.100 -1.189 0.000 0.621 84 G HN 0.949 nan 8.290 nan 0.000 0.519 85 M N 0.830 120.383 119.600 -0.078 0.000 2.180 85 M HA 0.567 5.244 4.480 0.329 0.000 0.358 85 M C -0.698 175.827 176.300 0.375 0.000 1.233 85 M CA -0.776 54.613 55.300 0.148 0.000 1.114 85 M CB 0.335 32.987 32.600 0.087 0.000 1.594 85 M HN 0.149 nan 8.290 nan 0.000 0.467 86 W N 5.175 126.540 121.300 0.108 0.000 2.316 86 W HA 0.511 5.369 4.660 0.329 0.000 0.308 86 W C -1.208 175.304 176.519 -0.011 0.000 1.106 86 W CA -0.672 56.705 57.345 0.053 0.000 1.262 86 W CB 0.964 30.421 29.460 -0.005 0.000 1.233 86 W HN 0.268 nan 8.180 nan 0.000 0.447 87 V N 4.417 124.415 119.914 0.140 0.000 2.482 87 V HA 0.940 5.257 4.120 0.329 0.000 0.295 87 V C 0.240 176.329 176.094 -0.008 0.000 1.026 87 V CA -0.570 61.764 62.300 0.055 0.000 0.856 87 V CB 1.027 32.877 31.823 0.045 0.000 1.001 87 V HN 0.673 nan 8.190 nan 0.000 0.424 88 G N 3.046 111.821 108.800 -0.042 0.000 2.428 88 G HA2 0.587 4.744 3.960 0.329 0.000 0.305 88 G HA3 0.587 4.744 3.960 0.329 0.000 0.305 88 G C -0.500 174.318 174.900 -0.136 0.000 1.260 88 G CA 0.180 45.232 45.100 -0.080 0.000 0.853 88 G HN 0.766 nan 8.290 nan 0.000 0.480 89 T N -1.668 112.805 114.554 -0.134 0.000 2.902 89 T HA 0.544 5.091 4.350 0.329 0.000 0.280 89 T C 0.968 175.566 174.700 -0.170 0.000 0.992 89 T CA -0.329 61.679 62.100 -0.153 0.000 1.015 89 T CB 1.242 70.055 68.868 -0.091 0.000 1.044 89 T HN 0.271 nan 8.240 nan 0.000 0.520 90 F N 0.290 120.194 119.950 -0.076 0.000 2.126 90 F HA -0.061 4.663 4.527 0.328 0.000 0.299 90 F C 2.586 178.166 175.800 -0.367 0.000 1.096 90 F CA 1.800 59.624 58.000 -0.292 0.000 1.255 90 F CB -0.744 38.066 39.000 -0.317 0.000 0.997 90 F HN 0.714 nan 8.300 nan 0.000 0.479 91 H N -0.956 118.110 119.070 -0.006 0.000 2.357 91 H HA -0.032 4.721 4.556 0.329 0.000 0.301 91 H C 2.500 177.802 175.328 -0.043 0.000 1.082 91 H CA 1.326 57.346 56.048 -0.047 0.000 1.342 91 H CB -0.933 28.789 29.762 -0.067 0.000 1.389 91 H HN 0.248 nan 8.280 nan 0.000 0.511 92 G N 0.505 109.333 108.800 0.048 0.000 2.459 92 G HA2 -0.218 3.939 3.960 0.329 0.000 0.217 92 G HA3 -0.218 3.939 3.960 0.329 0.000 0.217 92 G C 1.579 176.481 174.900 0.002 0.000 1.183 92 G CA 0.965 46.072 45.100 0.011 0.000 0.776 92 G HN 0.281 nan 8.290 nan 0.000 0.552 93 L N 0.627 121.812 121.223 -0.063 0.000 2.141 93 L HA -0.005 4.533 4.340 0.329 0.000 0.209 93 L C 3.381 180.260 176.870 0.015 0.000 1.094 93 L CA 0.818 55.633 54.840 -0.041 0.000 0.763 93 L CB -0.442 41.680 42.059 0.106 0.000 0.908 93 L HN 0.318 nan 8.230 nan 0.000 0.437 94 A N -0.603 122.153 122.820 -0.107 0.000 1.873 94 A HA -0.269 4.248 4.320 0.329 0.000 0.215 94 A C 2.308 179.918 177.584 0.043 0.000 1.186 94 A CA 1.625 53.582 52.037 -0.134 0.000 0.616 94 A CB -0.970 17.852 19.000 -0.296 0.000 0.823 94 A HN 0.506 nan 8.150 nan 0.000 0.442 95 H N -0.136 118.945 119.070 0.018 0.000 2.319 95 H HA -0.183 4.571 4.556 0.329 0.000 0.297 95 H C 2.338 177.751 175.328 0.142 0.000 1.097 95 H CA 2.103 58.228 56.048 0.129 0.000 1.285 95 H CB -0.184 29.650 29.762 0.120 0.000 1.368 95 H HN 0.488 nan 8.280 nan 0.000 0.495 96 R N 0.305 120.824 120.500 0.032 0.000 2.096 96 R HA -0.133 4.404 4.340 0.329 0.000 0.240 96 R C 2.885 179.243 176.300 0.097 0.000 1.139 96 R CA 1.721 57.792 56.100 -0.048 0.000 0.952 96 R CB -0.240 29.926 30.300 -0.222 0.000 0.854 96 R HN 0.343 nan 8.270 nan 0.000 0.436 97 L N 0.458 121.798 121.223 0.195 0.000 2.083 97 L HA -0.200 4.337 4.340 0.329 0.000 0.209 97 L C 2.402 179.465 176.870 0.323 0.000 1.083 97 L CA 1.102 56.147 54.840 0.342 0.000 0.752 97 L CB -0.310 41.864 42.059 0.191 0.000 0.899 97 L HN 0.308 nan 8.230 nan 0.000 0.433 98 L N -1.043 120.291 121.223 0.185 0.000 2.093 98 L HA -0.146 4.391 4.340 0.329 0.000 0.208 98 L C 2.876 179.944 176.870 0.331 0.000 1.085 98 L CA 0.796 55.764 54.840 0.212 0.000 0.755 98 L CB -0.494 41.632 42.059 0.113 0.000 0.904 98 L HN 0.232 nan 8.230 nan 0.000 0.435 99 R N 0.259 120.873 120.500 0.191 0.000 2.092 99 R HA -0.063 4.475 4.340 0.329 0.000 0.231 99 R C 2.226 178.618 176.300 0.153 0.000 1.119 99 R CA 1.428 57.569 56.100 0.068 0.000 0.970 99 R CB -0.756 29.421 30.300 -0.204 0.000 0.864 99 R HN 0.323 nan 8.270 nan 0.000 0.440 100 A N 0.594 123.508 122.820 0.156 0.000 2.066 100 A HA -0.086 4.431 4.320 0.329 0.000 0.218 100 A C 0.747 178.222 177.584 -0.182 0.000 1.157 100 A CA 0.922 52.982 52.037 0.038 0.000 0.670 100 A CB -0.151 18.907 19.000 0.096 0.000 0.804 100 A HN 0.337 nan 8.150 nan 0.000 0.453 101 H N -1.205 118.023 119.070 0.263 0.000 2.651 101 H HA 0.083 4.837 4.556 0.328 0.000 0.241 101 H C 0.872 176.283 175.328 0.138 0.000 1.225 101 H CA 0.210 56.366 56.048 0.179 0.000 0.942 101 H CB -0.217 29.657 29.762 0.187 0.000 1.996 101 H HN 0.801 nan 8.280 nan 0.000 0.600 102 H N 0.823 120.012 119.070 0.200 0.000 2.390 102 H HA -0.149 4.604 4.556 0.329 0.000 0.298 102 H C 1.533 176.949 175.328 0.146 0.000 1.106 102 H CA 1.479 57.644 56.048 0.194 0.000 1.297 102 H CB -0.159 29.738 29.762 0.226 0.000 1.375 102 H HN 0.224 nan 8.280 nan 0.000 0.509 103 M N 1.425 120.758 119.600 -0.446 0.000 2.086 103 M HA -0.073 4.605 4.480 0.329 0.000 0.261 103 M C 1.586 177.869 176.300 -0.028 0.000 1.067 103 M CA 1.634 56.794 55.300 -0.233 0.000 1.116 103 M CB -0.563 31.871 32.600 -0.276 0.000 1.348 103 M HN 0.054 nan 8.290 nan 0.000 0.407 104 D N 0.553 120.972 120.400 0.032 0.000 2.219 104 D HA 0.044 4.881 4.640 0.329 0.000 0.205 104 D C 1.768 178.111 176.300 0.072 0.000 0.970 104 D CA 1.530 55.580 54.000 0.082 0.000 0.851 104 D CB 0.009 40.888 40.800 0.130 0.000 0.943 104 D HN 0.513 nan 8.370 nan 0.000 0.488 105 A N 0.754 123.621 122.820 0.079 0.000 2.251 105 A HA -0.016 4.501 4.320 0.329 0.000 0.209 105 A C 0.860 178.467 177.584 0.039 0.000 1.187 105 A CA 0.294 52.364 52.037 0.055 0.000 0.823 105 A CB -0.378 18.660 19.000 0.063 0.000 0.846 105 A HN 0.237 nan 8.150 nan 0.000 0.486 106 N N -1.633 117.097 118.700 0.049 0.000 2.758 106 N HA -0.141 4.796 4.740 0.329 0.000 0.248 106 N C -0.808 174.736 175.510 0.057 0.000 1.076 106 N CA 0.838 53.914 53.050 0.044 0.000 0.696 106 N CB -1.734 36.768 38.487 0.025 0.000 0.979 106 N HN 0.459 nan 8.380 nan 0.000 0.550 107 L N -0.316 120.977 121.223 0.115 0.000 2.388 107 L HA 0.688 5.225 4.340 0.329 0.000 0.264 107 L C -2.062 175.001 176.870 0.321 0.000 0.998 107 L CA -1.968 52.967 54.840 0.158 0.000 0.817 107 L CB 2.167 44.266 42.059 0.067 0.000 1.338 107 L HN -0.061 nan 8.230 nan 0.000 0.414 108 P HA 0.007 nan 4.420 nan 0.000 0.275 108 P C -0.305 177.089 177.300 0.157 0.000 1.228 108 P CA -0.245 62.997 63.100 0.236 0.000 0.786 108 P CB 1.154 32.936 31.700 0.136 0.000 0.927 109 Q N 1.975 121.621 119.800 -0.257 0.000 2.234 109 Q HA -0.200 4.337 4.340 0.329 0.000 0.206 109 Q C 0.226 175.949 176.000 -0.462 0.000 0.980 109 Q CA 2.026 57.365 55.803 -0.773 0.000 0.869 109 Q CB -0.195 27.927 28.738 -1.028 0.000 0.912 109 Q HN 0.506 nan 8.270 nan 0.000 0.436 110 D N -0.170 120.064 120.400 -0.276 0.000 2.587 110 D HA 0.079 4.916 4.640 0.329 0.000 0.233 110 D C -0.073 176.103 176.300 -0.208 0.000 1.213 110 D CA -0.523 53.313 54.000 -0.275 0.000 0.827 110 D CB -0.722 39.984 40.800 -0.156 0.000 1.006 110 D HN 0.233 nan 8.370 nan 0.000 0.490 111 F N -0.114 119.810 119.950 -0.043 0.000 2.589 111 F HA 0.365 5.089 4.527 0.328 0.000 0.352 111 F C 0.519 176.319 175.800 0.001 0.000 1.168 111 F CA -1.139 56.853 58.000 -0.014 0.000 1.353 111 F CB 0.342 39.345 39.000 0.004 0.000 1.116 111 F HN -0.094 nan 8.300 nan 0.000 0.608 112 Q N 2.703 122.665 119.800 0.269 0.000 2.274 112 Q HA 0.539 5.076 4.340 0.329 0.000 0.260 112 Q C -1.095 175.019 176.000 0.190 0.000 0.974 112 Q CA -0.593 55.303 55.803 0.155 0.000 0.876 112 Q CB 1.284 30.058 28.738 0.060 0.000 1.297 112 Q HN 0.759 nan 8.270 nan 0.000 0.446 113 I N 3.728 124.372 120.570 0.124 0.000 2.474 113 I HA 0.158 4.526 4.170 0.329 0.000 0.287 113 I C -0.423 175.622 176.117 -0.119 0.000 1.048 113 I CA -0.773 60.541 61.300 0.023 0.000 1.383 113 I CB 0.794 38.798 38.000 0.007 0.000 1.412 113 I HN 0.554 nan 8.210 nan 0.000 0.531 114 L N 7.491 128.582 121.223 -0.220 0.000 2.265 114 L HA 0.314 4.851 4.340 0.329 0.000 0.289 114 L C -0.107 176.456 176.870 -0.512 0.000 1.033 114 L CA -0.262 54.437 54.840 -0.235 0.000 0.814 114 L CB 0.574 42.562 42.059 -0.118 0.000 1.203 114 L HN 0.582 nan 8.230 nan 0.000 0.423 115 D N 2.060 122.231 120.400 -0.381 0.000 2.440 115 D HA 0.155 4.992 4.640 0.329 0.000 0.269 115 D C 0.793 177.013 176.300 -0.133 0.000 1.249 115 D CA -0.311 53.452 54.000 -0.396 0.000 1.055 115 D CB 0.463 41.242 40.800 -0.034 0.000 1.104 115 D HN 0.410 nan 8.370 nan 0.000 0.561 116 S N -1.028 114.721 115.700 0.082 0.000 2.368 116 S HA -0.187 4.480 4.470 0.329 0.000 0.225 116 S C 1.594 176.233 174.600 0.065 0.000 1.030 116 S CA 1.315 59.576 58.200 0.101 0.000 0.999 116 S CB -0.380 62.918 63.200 0.163 0.000 0.844 116 S HN 0.670 nan 8.310 nan 0.000 0.459 117 E N 0.885 121.123 120.200 0.064 0.000 2.051 117 E HA -0.215 4.332 4.350 0.329 0.000 0.192 117 E C 1.286 177.915 176.600 0.048 0.000 0.991 117 E CA 1.442 57.875 56.400 0.055 0.000 0.799 117 E CB -0.089 29.643 29.700 0.053 0.000 0.748 117 E HN 0.309 nan 8.360 nan 0.000 0.449 118 D N 0.200 120.619 120.400 0.033 0.000 2.117 118 D HA -0.192 4.645 4.640 0.329 0.000 0.197 118 D C 1.865 178.199 176.300 0.058 0.000 0.987 118 D CA 0.961 54.982 54.000 0.034 0.000 0.829 118 D CB -0.290 40.513 40.800 0.005 0.000 0.961 118 D HN 0.274 nan 8.370 nan 0.000 0.460 119 Q N -0.311 119.522 119.800 0.054 0.000 2.119 119 Q HA -0.126 4.411 4.340 0.329 0.000 0.201 119 Q C 2.067 178.130 176.000 0.105 0.000 0.972 119 Q CA 0.703 56.574 55.803 0.114 0.000 0.847 119 Q CB -0.076 28.705 28.738 0.071 0.000 0.903 119 Q HN 0.209 nan 8.270 nan 0.000 0.433 120 L N 0.644 121.908 121.223 0.069 0.000 2.141 120 L HA -0.102 4.435 4.340 0.329 0.000 0.209 120 L C 2.113 179.029 176.870 0.078 0.000 1.094 120 L CA 1.570 56.447 54.840 0.063 0.000 0.763 120 L CB -0.205 41.888 42.059 0.056 0.000 0.908 120 L HN 0.076 nan 8.230 nan 0.000 0.437 121 R N -1.071 119.476 120.500 0.078 0.000 2.073 121 R HA -0.089 4.448 4.340 0.329 0.000 0.229 121 R C 2.149 178.505 176.300 0.093 0.000 1.120 121 R CA 1.368 57.514 56.100 0.077 0.000 0.967 121 R CB -0.628 29.712 30.300 0.066 0.000 0.862 121 R HN 0.306 nan 8.270 nan 0.000 0.436 122 L N 1.289 122.580 121.223 0.113 0.000 2.046 122 L HA -0.136 4.402 4.340 0.329 0.000 0.208 122 L C 1.981 178.948 176.870 0.162 0.000 1.077 122 L CA 1.628 56.548 54.840 0.132 0.000 0.747 122 L CB -0.354 41.800 42.059 0.158 0.000 0.896 122 L HN 0.123 nan 8.230 nan 0.000 0.432 123 L N -0.445 120.885 121.223 0.179 0.000 2.131 123 L HA -0.225 4.312 4.340 0.329 0.000 0.210 123 L C 2.597 179.549 176.870 0.137 0.000 1.092 123 L CA 1.592 56.530 54.840 0.164 0.000 0.759 123 L CB -0.579 41.534 42.059 0.090 0.000 0.903 123 L HN 0.353 nan 8.230 nan 0.000 0.435 124 K N -0.303 120.166 120.400 0.115 0.000 2.211 124 K HA -0.138 4.379 4.320 0.329 0.000 0.203 124 K C 2.259 178.918 176.600 0.098 0.000 1.050 124 K CA 0.762 57.113 56.287 0.107 0.000 0.945 124 K CB 0.204 32.757 32.500 0.089 0.000 0.732 124 K HN 0.125 nan 8.250 nan 0.000 0.451 125 R N 0.617 121.173 120.500 0.094 0.000 2.066 125 R HA 0.044 4.581 4.340 0.329 0.000 0.224 125 R C 2.367 178.714 176.300 0.078 0.000 1.122 125 R CA 0.664 56.812 56.100 0.079 0.000 0.974 125 R CB -0.828 29.516 30.300 0.073 0.000 0.871 125 R HN 0.243 nan 8.270 nan 0.000 0.435 126 L N 0.608 121.890 121.223 0.098 0.000 2.012 126 L HA -0.171 4.366 4.340 0.329 0.000 0.210 126 L C 2.416 179.336 176.870 0.083 0.000 1.073 126 L CA 1.343 56.240 54.840 0.095 0.000 0.748 126 L CB -0.367 41.776 42.059 0.141 0.000 0.891 126 L HN 0.107 nan 8.230 nan 0.000 0.431 127 I N -0.310 120.324 120.570 0.107 0.000 2.163 127 I HA -0.365 4.002 4.170 0.329 0.000 0.243 127 I C 2.642 178.796 176.117 0.062 0.000 1.085 127 I CA 1.512 62.870 61.300 0.097 0.000 1.347 127 I CB -0.329 37.772 38.000 0.167 0.000 1.044 127 I HN 0.262 nan 8.210 nan 0.000 0.408 128 K N 1.347 121.790 120.400 0.071 0.000 2.097 128 K HA -0.146 4.371 4.320 0.329 0.000 0.205 128 K C 2.088 178.708 176.600 0.033 0.000 1.050 128 K CA 1.377 57.697 56.287 0.054 0.000 0.938 128 K CB -0.075 32.459 32.500 0.057 0.000 0.718 128 K HN 0.295 nan 8.250 nan 0.000 0.442 129 A N 0.596 123.436 122.820 0.033 0.000 2.119 129 A HA -0.035 4.482 4.320 0.329 0.000 0.217 129 A C 1.744 179.331 177.584 0.004 0.000 1.153 129 A CA 0.973 53.021 52.037 0.019 0.000 0.692 129 A CB -0.295 18.719 19.000 0.023 0.000 0.799 129 A HN 0.352 nan 8.150 nan 0.000 0.458 130 M N -0.717 118.881 119.600 -0.003 0.000 2.495 130 M HA 0.092 4.770 4.480 0.329 0.000 0.237 130 M C 0.248 176.519 176.300 -0.048 0.000 1.131 130 M CA 0.045 55.325 55.300 -0.033 0.000 1.032 130 M CB 0.075 32.643 32.600 -0.053 0.000 1.513 130 M HN 0.453 nan 8.290 nan 0.000 0.488 131 N N -0.209 118.477 118.700 -0.023 0.000 2.972 131 N HA -0.146 4.791 4.740 0.329 0.000 0.225 131 N C -0.258 175.242 175.510 -0.017 0.000 0.883 131 N CA 0.646 53.687 53.050 -0.016 0.000 1.010 131 N CB -1.512 36.961 38.487 -0.024 0.000 1.052 131 N HN 0.360 nan 8.380 nan 0.000 0.598 132 L N 2.022 123.214 121.223 -0.052 0.000 2.525 132 L HA 0.046 4.583 4.340 0.329 0.000 0.278 132 L C 1.147 178.074 176.870 0.096 0.000 1.218 132 L CA 0.364 55.167 54.840 -0.062 0.000 0.878 132 L CB 0.246 42.166 42.059 -0.230 0.000 1.127 132 L HN 0.073 nan 8.230 nan 0.000 0.492 133 D N 2.158 122.684 120.400 0.211 0.000 2.424 133 D HA -0.063 4.774 4.640 0.329 0.000 0.244 133 D C 0.735 177.178 176.300 0.237 0.000 1.134 133 D CA -0.053 54.067 54.000 0.201 0.000 0.881 133 D CB 1.413 42.322 40.800 0.182 0.000 1.191 133 D HN 0.575 nan 8.370 nan 0.000 0.445 134 E N 3.386 123.677 120.200 0.152 0.000 1.997 134 E HA -0.236 4.311 4.350 0.329 0.000 0.201 134 E C 1.942 178.623 176.600 0.134 0.000 1.011 134 E CA 2.847 59.334 56.400 0.145 0.000 0.847 134 E CB -0.377 29.381 29.700 0.097 0.000 0.787 134 E HN 0.542 nan 8.360 nan 0.000 0.472 135 K N 0.274 120.721 120.400 0.077 0.000 2.442 135 K HA -0.198 4.319 4.320 0.329 0.000 0.200 135 K C 1.994 178.588 176.600 -0.010 0.000 1.045 135 K CA 1.934 58.242 56.287 0.035 0.000 0.937 135 K CB -0.668 31.840 32.500 0.013 0.000 0.757 135 K HN 0.244 nan 8.250 nan 0.000 0.474 136 Q N -1.578 118.216 119.800 -0.009 0.000 2.089 136 Q HA 0.075 4.612 4.340 0.329 0.000 0.195 136 Q C -0.281 175.441 176.000 -0.463 0.000 0.963 136 Q CA 1.071 56.736 55.803 -0.231 0.000 0.834 136 Q CB 0.247 28.891 28.738 -0.156 0.000 0.906 136 Q HN 0.771 nan 8.270 nan 0.000 0.452 137 W N 1.384 122.706 121.300 0.037 0.000 2.416 137 W HA 0.439 5.297 4.660 0.329 0.000 0.294 137 W C -2.275 174.449 176.519 0.343 0.000 0.966 137 W CA -2.490 54.936 57.345 0.135 0.000 1.686 137 W CB 0.758 30.165 29.460 -0.087 0.000 1.612 137 W HN -0.009 nan 8.180 nan 0.000 0.420 138 P HA -0.030 nan 4.420 nan 0.000 0.262 138 P C -1.765 175.706 177.300 0.286 0.000 1.182 138 P CA -0.415 62.855 63.100 0.284 0.000 0.761 138 P CB 0.739 32.542 31.700 0.172 0.000 0.795 139 P HA -0.104 nan 4.420 nan 0.000 0.218 139 P C 1.494 178.821 177.300 0.046 0.000 1.149 139 P CA 1.267 64.445 63.100 0.130 0.000 0.817 139 P CB 0.048 31.817 31.700 0.116 0.000 0.785 140 R N -0.283 120.251 120.500 0.056 0.000 2.073 140 R HA -0.175 4.362 4.340 0.329 0.000 0.234 140 R C 2.279 178.589 176.300 0.018 0.000 1.134 140 R CA 1.496 57.618 56.100 0.037 0.000 0.952 140 R CB -1.157 29.167 30.300 0.039 0.000 0.850 140 R HN 0.226 nan 8.270 nan 0.000 0.433 141 Q N 0.704 120.506 119.800 0.002 0.000 2.124 141 Q HA -0.032 4.506 4.340 0.329 0.000 0.202 141 Q C 1.831 177.616 176.000 -0.358 0.000 0.977 141 Q CA 1.957 57.726 55.803 -0.057 0.000 0.850 141 Q CB -0.289 28.490 28.738 0.069 0.000 0.901 141 Q HN 0.315 nan 8.270 nan 0.000 0.429 142 A N 0.138 122.618 122.820 -0.568 0.000 1.930 142 A HA -0.152 4.365 4.320 0.329 0.000 0.217 142 A C 2.163 179.533 177.584 -0.357 0.000 1.175 142 A CA 1.557 53.136 52.037 -0.763 0.000 0.627 142 A CB -0.621 18.175 19.000 -0.340 0.000 0.815 142 A HN 0.568 nan 8.150 nan 0.000 0.443 143 M N -1.873 117.608 119.600 -0.198 0.000 2.086 143 M HA -0.148 4.529 4.480 0.329 0.000 0.261 143 M C 2.057 178.279 176.300 -0.130 0.000 1.067 143 M CA 2.247 57.447 55.300 -0.167 0.000 1.116 143 M CB -0.268 32.295 32.600 -0.062 0.000 1.348 143 M HN 0.704 nan 8.290 nan 0.000 0.407 144 W N 0.193 121.384 121.300 -0.182 0.000 2.335 144 W HA -0.312 4.546 4.660 0.330 0.000 0.311 144 W C 2.025 178.430 176.519 -0.190 0.000 1.213 144 W CA 2.226 59.489 57.345 -0.136 0.000 1.274 144 W CB -1.002 28.402 29.460 -0.094 0.000 1.148 144 W HN 0.368 nan 8.180 nan 0.000 0.498 145 Y N 0.823 120.899 120.300 -0.373 0.000 2.053 145 Y HA -0.317 4.430 4.550 0.328 0.000 0.277 145 Y C 2.412 177.883 175.900 -0.716 0.000 1.159 145 Y CA 3.059 60.766 58.100 -0.655 0.000 1.125 145 Y CB -0.806 37.335 38.460 -0.531 0.000 0.969 145 Y HN -0.019 nan 8.280 nan 0.000 0.492 146 I N 0.406 120.694 120.570 -0.470 0.000 2.163 146 I HA -0.393 3.974 4.170 0.329 0.000 0.243 146 I C 2.011 177.729 176.117 -0.665 0.000 1.085 146 I CA 2.147 63.014 61.300 -0.723 0.000 1.347 146 I CB -0.635 36.963 38.000 -0.671 0.000 1.044 146 I HN 0.361 nan 8.210 nan 0.000 0.408 147 N N 0.080 118.479 118.700 -0.502 0.000 2.166 147 N HA -0.144 4.793 4.740 0.329 0.000 0.186 147 N C 1.904 177.140 175.510 -0.457 0.000 1.019 147 N CA 1.349 54.177 53.050 -0.369 0.000 0.856 147 N CB -0.015 38.338 38.487 -0.223 0.000 0.993 147 N HN 0.216 nan 8.380 nan 0.000 0.426 148 S N 0.711 115.984 115.700 -0.712 0.000 2.382 148 S HA -0.110 4.557 4.470 0.329 0.000 0.228 148 S C 1.815 176.067 174.600 -0.580 0.000 1.027 148 S CA 0.876 58.632 58.200 -0.739 0.000 0.991 148 S CB -0.147 62.307 63.200 -1.243 0.000 0.823 148 S HN 0.316 nan 8.310 nan 0.000 0.469 149 Q N 1.459 120.864 119.800 -0.658 0.000 2.050 149 Q HA -0.032 4.505 4.340 0.329 0.000 0.202 149 Q C 2.037 177.873 176.000 -0.272 0.000 0.980 149 Q CA 1.275 56.797 55.803 -0.469 0.000 0.840 149 Q CB -0.383 28.031 28.738 -0.540 0.000 0.898 149 Q HN 0.549 nan 8.270 nan 0.000 0.424 150 K N 0.583 120.825 120.400 -0.262 0.000 2.211 150 K HA -0.110 4.407 4.320 0.329 0.000 0.203 150 K C 1.495 177.998 176.600 -0.161 0.000 1.050 150 K CA 0.961 57.169 56.287 -0.131 0.000 0.945 150 K CB 0.052 32.502 32.500 -0.082 0.000 0.732 150 K HN 0.158 nan 8.250 nan 0.000 0.451 151 D N 1.122 121.388 120.400 -0.223 0.000 2.263 151 D HA -0.114 4.723 4.640 0.329 0.000 0.208 151 D C 1.073 177.245 176.300 -0.212 0.000 0.971 151 D CA 1.042 54.904 54.000 -0.229 0.000 0.867 151 D CB 0.154 40.797 40.800 -0.262 0.000 0.929 151 D HN 0.181 nan 8.370 nan 0.000 0.492 152 E N -0.433 119.648 120.200 -0.199 0.000 2.501 152 E HA 0.232 4.780 4.350 0.329 0.000 0.200 152 E C 1.062 177.577 176.600 -0.142 0.000 1.016 152 E CA -0.087 56.213 56.400 -0.167 0.000 0.921 152 E CB 0.431 30.032 29.700 -0.165 0.000 1.034 152 E HN 0.174 nan 8.360 nan 0.000 0.468 153 G N 1.759 110.484 108.800 -0.126 0.000 2.249 153 G HA2 -0.290 3.867 3.960 0.329 0.000 0.273 153 G HA3 -0.290 3.867 3.960 0.329 0.000 0.273 153 G C 0.056 174.891 174.900 -0.108 0.000 1.036 153 G CA 0.290 45.334 45.100 -0.092 0.000 0.824 153 G HN 0.246 nan 8.290 nan 0.000 0.504 154 L N 0.219 121.409 121.223 -0.055 0.000 2.305 154 L HA 0.607 5.144 4.340 0.329 0.000 0.284 154 L C 0.757 177.766 176.870 0.231 0.000 1.013 154 L CA -1.216 53.633 54.840 0.015 0.000 0.819 154 L CB 1.164 43.217 42.059 -0.010 0.000 1.227 154 L HN 0.028 nan 8.230 nan 0.000 0.417 155 R N 2.966 123.683 120.500 0.361 0.000 2.608 155 R HA 0.365 4.903 4.340 0.329 0.000 0.255 155 R C -1.673 174.579 176.300 -0.080 0.000 1.086 155 R CA -2.212 53.954 56.100 0.111 0.000 1.125 155 R CB 0.268 30.547 30.300 -0.036 0.000 1.193 155 R HN 0.208 nan 8.270 nan 0.000 0.553 156 P HA -0.167 nan 4.420 nan 0.000 0.216 156 P C 1.039 178.297 177.300 -0.070 0.000 1.150 156 P CA 1.500 64.475 63.100 -0.207 0.000 0.843 156 P CB -0.049 31.456 31.700 -0.325 0.000 0.787 157 H N -2.586 116.395 119.070 -0.149 0.000 2.363 157 H HA -0.050 4.703 4.556 0.329 0.000 0.301 157 H C 1.609 176.886 175.328 -0.084 0.000 1.074 157 H CA 1.101 57.062 56.048 -0.145 0.000 1.354 157 H CB -1.540 28.091 29.762 -0.219 0.000 1.397 157 H HN 0.256 nan 8.280 nan 0.000 0.516 158 H N 1.823 120.601 119.070 -0.488 0.000 2.518 158 H HA 0.001 4.755 4.556 0.329 0.000 0.294 158 H C 1.148 176.448 175.328 -0.046 0.000 1.083 158 H CA 1.339 57.254 56.048 -0.223 0.000 1.264 158 H CB 0.020 29.630 29.762 -0.252 0.000 1.370 158 H HN 0.513 nan 8.280 nan 0.000 0.560 159 I N -0.360 120.261 120.570 0.086 0.000 2.608 159 I HA 0.425 4.792 4.170 0.329 0.000 0.295 159 I C -0.591 175.571 176.117 0.075 0.000 1.049 159 I CA -1.255 60.114 61.300 0.115 0.000 1.063 159 I CB 2.439 40.536 38.000 0.162 0.000 1.248 159 I HN -0.117 nan 8.210 nan 0.000 0.424 160 Q N 3.546 123.365 119.800 0.033 0.000 2.359 160 Q HA 0.641 5.179 4.340 0.329 0.000 0.274 160 Q C -1.144 174.735 176.000 -0.203 0.000 1.074 160 Q CA -0.806 54.934 55.803 -0.105 0.000 0.810 160 Q CB 2.158 30.765 28.738 -0.218 0.000 1.342 160 Q HN 0.818 nan 8.270 nan 0.000 0.427 161 S N 0.966 116.561 115.700 -0.174 0.000 2.646 161 S HA 0.504 5.171 4.470 0.329 0.000 0.276 161 S C -0.839 173.576 174.600 -0.308 0.000 1.222 161 S CA -0.583 57.569 58.200 -0.080 0.000 1.014 161 S CB 0.345 63.571 63.200 0.043 0.000 0.991 161 S HN 0.596 nan 8.310 nan 0.000 0.533 162 Y N 1.069 121.411 120.300 0.071 0.000 2.836 162 Y HA 0.562 5.309 4.550 0.328 0.000 0.359 162 Y C 1.413 177.342 175.900 0.050 0.000 1.060 162 Y CA -0.135 57.998 58.100 0.055 0.000 1.161 162 Y CB 0.551 39.044 38.460 0.054 0.000 1.225 162 Y HN 1.159 nan 8.280 nan 0.000 0.621 163 G N 0.770 109.638 108.800 0.113 0.000 4.365 163 G HA2 -0.377 3.780 3.960 0.329 0.000 0.214 163 G HA3 -0.377 3.780 3.960 0.329 0.000 0.214 163 G C 0.512 175.463 174.900 0.086 0.000 1.450 163 G CA -0.106 45.047 45.100 0.088 0.000 0.937 163 G HN 0.551 nan 8.290 nan 0.000 0.625 164 N N 3.148 121.920 118.700 0.119 0.000 1.628 164 N HA -0.098 4.839 4.740 0.329 0.000 0.321 164 N C 0.039 175.605 175.510 0.093 0.000 1.268 164 N CA 0.823 53.943 53.050 0.116 0.000 0.886 164 N CB 0.627 39.211 38.487 0.161 0.000 1.182 164 N HN 0.404 nan 8.380 nan 0.000 0.495 165 P HA -0.250 nan 4.420 nan 0.000 0.213 165 P C 1.561 178.927 177.300 0.111 0.000 1.176 165 P CA 2.361 65.511 63.100 0.084 0.000 0.919 165 P CB -0.279 31.484 31.700 0.104 0.000 0.791 166 V N -0.732 119.274 119.914 0.154 0.000 2.317 166 V HA -0.258 4.060 4.120 0.329 0.000 0.251 166 V C 2.675 178.773 176.094 0.007 0.000 1.065 166 V CA 2.698 65.073 62.300 0.124 0.000 1.049 166 V CB -2.094 29.735 31.823 0.010 0.000 0.651 166 V HN 0.077 nan 8.190 nan 0.000 0.450 167 E N 0.758 121.034 120.200 0.128 0.000 2.047 167 E HA -0.246 4.301 4.350 0.329 0.000 0.191 167 E C 2.398 179.061 176.600 0.104 0.000 0.987 167 E CA 1.905 58.422 56.400 0.194 0.000 0.799 167 E CB -0.507 29.344 29.700 0.251 0.000 0.752 167 E HN 0.772 nan 8.360 nan 0.000 0.449 168 Q N -0.545 119.286 119.800 0.051 0.000 2.170 168 Q HA -0.137 4.400 4.340 0.329 0.000 0.203 168 Q C 1.876 177.835 176.000 -0.068 0.000 0.976 168 Q CA 2.178 57.984 55.803 0.006 0.000 0.858 168 Q CB -0.123 28.609 28.738 -0.010 0.000 0.907 168 Q HN 0.527 nan 8.270 nan 0.000 0.433 169 T N -2.986 111.452 114.554 -0.193 0.000 2.851 169 T HA -0.113 4.434 4.350 0.329 0.000 0.262 169 T C 1.376 175.934 174.700 -0.237 0.000 1.043 169 T CA 0.740 62.606 62.100 -0.391 0.000 1.140 169 T CB -0.846 67.455 68.868 -0.946 0.000 0.872 169 T HN 0.488 nan 8.240 nan 0.000 0.446 170 W N 1.440 122.592 121.300 -0.247 0.000 2.374 170 W HA -0.078 4.779 4.660 0.329 0.000 0.288 170 W C 2.906 179.273 176.519 -0.253 0.000 1.218 170 W CA 0.315 57.431 57.345 -0.382 0.000 1.245 170 W CB -0.114 28.782 29.460 -0.941 0.000 1.126 170 W HN 0.262 nan 8.180 nan 0.000 0.545 171 Q N 1.083 120.949 119.800 0.112 0.000 2.119 171 Q HA -0.165 4.372 4.340 0.329 0.000 0.201 171 Q C 1.890 177.994 176.000 0.175 0.000 0.972 171 Q CA 1.692 57.629 55.803 0.223 0.000 0.847 171 Q CB -0.241 28.597 28.738 0.166 0.000 0.903 171 Q HN 0.124 nan 8.270 nan 0.000 0.433 172 K N -0.929 119.514 120.400 0.072 0.000 2.057 172 K HA -0.063 4.455 4.320 0.329 0.000 0.206 172 K C 1.975 178.633 176.600 0.096 0.000 1.050 172 K CA 1.316 57.626 56.287 0.038 0.000 0.935 172 K CB -0.078 32.394 32.500 -0.047 0.000 0.715 172 K HN 0.084 nan 8.250 nan 0.000 0.439 173 V N 0.903 120.898 119.914 0.136 0.000 2.332 173 V HA -0.277 4.040 4.120 0.329 0.000 0.248 173 V C 2.162 178.442 176.094 0.310 0.000 1.055 173 V CA 1.694 64.117 62.300 0.206 0.000 1.038 173 V CB -0.653 31.345 31.823 0.291 0.000 0.651 173 V HN 0.302 nan 8.190 nan 0.000 0.450 174 Y N 0.807 121.210 120.300 0.170 0.000 2.224 174 Y HA -0.185 4.563 4.550 0.330 0.000 0.289 174 Y C 2.644 178.668 175.900 0.208 0.000 1.146 174 Y CA 1.575 59.797 58.100 0.204 0.000 1.182 174 Y CB -0.573 38.022 38.460 0.224 0.000 0.983 174 Y HN 0.213 nan 8.280 nan 0.000 0.524 175 Q N 0.186 120.064 119.800 0.129 0.000 2.020 175 Q HA -0.124 4.413 4.340 0.329 0.000 0.202 175 Q C 2.556 178.584 176.000 0.047 0.000 0.982 175 Q CA 1.794 57.589 55.803 -0.013 0.000 0.838 175 Q CB -0.807 27.925 28.738 -0.011 0.000 0.899 175 Q HN 0.537 nan 8.270 nan 0.000 0.423 176 A N -0.202 122.673 122.820 0.093 0.000 1.908 176 A HA -0.225 4.292 4.320 0.329 0.000 0.218 176 A C 2.026 179.675 177.584 0.109 0.000 1.181 176 A CA 1.616 53.700 52.037 0.079 0.000 0.627 176 A CB -1.017 18.031 19.000 0.081 0.000 0.818 176 A HN 0.513 nan 8.150 nan 0.000 0.445 177 Y N 0.295 120.652 120.300 0.095 0.000 2.128 177 Y HA -0.257 4.491 4.550 0.329 0.000 0.284 177 Y C 2.545 178.499 175.900 0.090 0.000 1.154 177 Y CA 2.357 60.524 58.100 0.113 0.000 1.149 177 Y CB -0.209 38.362 38.460 0.185 0.000 0.976 177 Y HN 0.291 nan 8.280 nan 0.000 0.505 178 Q N 0.608 120.459 119.800 0.086 0.000 2.124 178 Q HA -0.191 4.347 4.340 0.329 0.000 0.202 178 Q C 2.135 178.071 176.000 -0.106 0.000 0.977 178 Q CA 1.957 57.735 55.803 -0.042 0.000 0.850 178 Q CB -0.313 28.419 28.738 -0.011 0.000 0.901 178 Q HN 0.689 nan 8.270 nan 0.000 0.429 179 E N 0.492 120.652 120.200 -0.067 0.000 2.051 179 E HA -0.159 4.388 4.350 0.329 0.000 0.192 179 E C 1.944 178.494 176.600 -0.083 0.000 0.991 179 E CA 1.098 57.461 56.400 -0.062 0.000 0.799 179 E CB -0.127 29.552 29.700 -0.036 0.000 0.748 179 E HN 0.338 nan 8.360 nan 0.000 0.449 180 A N 0.720 123.478 122.820 -0.103 0.000 1.883 180 A HA -0.221 4.296 4.320 0.329 0.000 0.217 180 A C 2.442 179.938 177.584 -0.148 0.000 1.186 180 A CA 1.400 53.371 52.037 -0.109 0.000 0.624 180 A CB -0.949 17.991 19.000 -0.100 0.000 0.822 180 A HN 0.381 nan 8.150 nan 0.000 0.444 181 C N -0.634 118.514 119.300 -0.254 0.000 2.436 181 C HA -0.104 4.554 4.460 0.329 0.000 0.277 181 C C 2.429 177.342 174.990 -0.128 0.000 1.241 181 C CA 1.280 60.154 59.018 -0.240 0.000 1.721 181 C CB -1.433 26.080 27.740 -0.380 0.000 2.043 181 C HN 0.687 nan 8.230 nan 0.000 0.472 182 D N -0.129 120.206 120.400 -0.109 0.000 2.117 182 D HA -0.135 4.702 4.640 0.329 0.000 0.197 182 D C 2.356 178.633 176.300 -0.040 0.000 0.987 182 D CA 0.959 54.922 54.000 -0.061 0.000 0.829 182 D CB -0.324 40.446 40.800 -0.050 0.000 0.961 182 D HN 0.399 nan 8.370 nan 0.000 0.460 183 R N 0.158 120.630 120.500 -0.046 0.000 2.115 183 R HA 0.005 4.542 4.340 0.329 0.000 0.230 183 R C 1.606 177.891 176.300 -0.024 0.000 1.111 183 R CA 1.264 57.346 56.100 -0.030 0.000 0.976 183 R CB -0.001 30.278 30.300 -0.034 0.000 0.870 183 R HN 0.160 nan 8.270 nan 0.000 0.445 184 A N -0.659 122.140 122.820 -0.035 0.000 2.275 184 A HA 0.258 4.775 4.320 0.329 0.000 0.212 184 A C 1.189 178.770 177.584 -0.005 0.000 1.201 184 A CA 0.536 52.560 52.037 -0.022 0.000 0.843 184 A CB 0.116 19.098 19.000 -0.030 0.000 0.873 184 A HN 0.492 nan 8.150 nan 0.000 0.492 185 G N -0.659 108.141 108.800 0.001 0.000 2.176 185 G HA2 -0.208 3.949 3.960 0.329 0.000 0.252 185 G HA3 -0.208 3.949 3.960 0.329 0.000 0.252 185 G C -0.053 174.883 174.900 0.060 0.000 1.024 185 G CA 0.443 45.568 45.100 0.042 0.000 0.755 185 G HN 0.454 nan 8.290 nan 0.000 0.507 186 L N -0.455 120.768 121.223 0.001 0.000 2.343 186 L HA 0.759 5.296 4.340 0.329 0.000 0.275 186 L C 0.202 177.044 176.870 -0.045 0.000 1.056 186 L CA -1.251 53.585 54.840 -0.008 0.000 0.804 186 L CB 2.039 44.069 42.059 -0.048 0.000 1.203 186 L HN -0.055 nan 8.230 nan 0.000 0.440 187 V N 1.007 120.904 119.914 -0.029 0.000 2.524 187 V HA 0.201 4.519 4.120 0.329 0.000 0.297 187 V C -0.821 175.236 176.094 -0.063 0.000 1.035 187 V CA -0.925 61.332 62.300 -0.071 0.000 0.867 187 V CB 1.845 33.563 31.823 -0.175 0.000 1.004 187 V HN 0.847 nan 8.190 nan 0.000 0.426 188 D N 2.848 123.228 120.400 -0.034 0.000 2.383 188 D HA 0.301 5.138 4.640 0.329 0.000 0.248 188 D C 0.927 177.216 176.300 -0.017 0.000 1.170 188 D CA -0.500 53.443 54.000 -0.095 0.000 0.977 188 D CB 0.692 41.519 40.800 0.044 0.000 1.120 188 D HN 0.184 nan 8.370 nan 0.000 0.481 189 F N 0.327 120.324 119.950 0.079 0.000 2.087 189 F HA -0.153 4.571 4.527 0.329 0.000 0.299 189 F C 2.688 178.592 175.800 0.172 0.000 1.100 189 F CA 1.741 59.815 58.000 0.125 0.000 1.226 189 F CB -1.325 37.693 39.000 0.030 0.000 0.983 189 F HN 0.547 nan 8.300 nan 0.000 0.479 190 A N -0.632 122.357 122.820 0.282 0.000 1.969 190 A HA -0.200 4.317 4.320 0.329 0.000 0.218 190 A C 2.101 179.719 177.584 0.056 0.000 1.169 190 A CA 1.692 53.803 52.037 0.124 0.000 0.635 190 A CB -0.743 18.282 19.000 0.042 0.000 0.810 190 A HN 0.331 nan 8.150 nan 0.000 0.445 191 E N 0.325 120.570 120.200 0.074 0.000 2.110 191 E HA -0.138 4.409 4.350 0.329 0.000 0.193 191 E C 1.790 178.381 176.600 -0.016 0.000 0.988 191 E CA 1.121 57.542 56.400 0.034 0.000 0.804 191 E CB -0.432 29.284 29.700 0.027 0.000 0.745 191 E HN 0.618 nan 8.360 nan 0.000 0.458 192 L N -0.136 121.094 121.223 0.012 0.000 1.990 192 L HA -0.241 4.296 4.340 0.329 0.000 0.213 192 L C 2.526 179.328 176.870 -0.113 0.000 1.072 192 L CA 1.383 56.211 54.840 -0.019 0.000 0.755 192 L CB -0.567 41.557 42.059 0.108 0.000 0.889 192 L HN 0.238 nan 8.230 nan 0.000 0.432 193 L N -1.079 120.040 121.223 -0.173 0.000 2.017 193 L HA -0.231 4.306 4.340 0.329 0.000 0.208 193 L C 2.559 179.328 176.870 -0.168 0.000 1.073 193 L CA 0.733 55.395 54.840 -0.297 0.000 0.745 193 L CB -0.557 41.272 42.059 -0.382 0.000 0.894 193 L HN 0.261 nan 8.230 nan 0.000 0.432 194 L N 0.193 121.365 121.223 -0.084 0.000 2.027 194 L HA -0.159 4.379 4.340 0.329 0.000 0.206 194 L C 2.708 179.599 176.870 0.036 0.000 1.074 194 L CA 1.665 56.504 54.840 -0.001 0.000 0.745 194 L CB -0.616 41.454 42.059 0.019 0.000 0.898 194 L HN 0.050 nan 8.230 nan 0.000 0.433 195 R N -0.398 120.096 120.500 -0.011 0.000 2.091 195 R HA -0.107 4.430 4.340 0.329 0.000 0.238 195 R C 2.242 178.516 176.300 -0.043 0.000 1.136 195 R CA 1.572 57.658 56.100 -0.023 0.000 0.959 195 R CB -0.630 29.625 30.300 -0.074 0.000 0.856 195 R HN 0.518 nan 8.270 nan 0.000 0.437 196 A N -0.332 122.437 122.820 -0.085 0.000 1.940 196 A HA -0.234 4.283 4.320 0.329 0.000 0.219 196 A C 2.139 179.656 177.584 -0.111 0.000 1.176 196 A CA 1.781 53.727 52.037 -0.151 0.000 0.631 196 A CB -0.908 17.963 19.000 -0.215 0.000 0.814 196 A HN 0.583 nan 8.150 nan 0.000 0.446 197 H N -0.310 118.744 119.070 -0.026 0.000 2.363 197 H HA -0.061 4.692 4.556 0.329 0.000 0.301 197 H C 1.917 177.301 175.328 0.094 0.000 1.074 197 H CA 1.612 57.739 56.048 0.131 0.000 1.354 197 H CB 0.071 29.928 29.762 0.159 0.000 1.397 197 H HN 0.647 nan 8.280 nan 0.000 0.516 198 E N 0.501 120.736 120.200 0.057 0.000 2.118 198 E HA -0.174 4.373 4.350 0.329 0.000 0.195 198 E C 2.351 178.949 176.600 -0.004 0.000 0.992 198 E CA 0.770 57.184 56.400 0.025 0.000 0.804 198 E CB -0.069 29.676 29.700 0.075 0.000 0.741 198 E HN 0.260 nan 8.360 nan 0.000 0.458 199 L N 0.562 121.759 121.223 -0.043 0.000 1.990 199 L HA -0.200 4.337 4.340 0.329 0.000 0.213 199 L C 1.798 178.702 176.870 0.058 0.000 1.072 199 L CA 1.791 56.602 54.840 -0.048 0.000 0.755 199 L CB -0.549 41.404 42.059 -0.176 0.000 0.889 199 L HN 0.246 nan 8.230 nan 0.000 0.432 200 W N -0.729 120.537 121.300 -0.057 0.000 2.595 200 W HA 0.049 4.906 4.660 0.329 0.000 0.257 200 W C 2.334 178.785 176.519 -0.114 0.000 1.267 200 W CA 0.398 57.687 57.345 -0.094 0.000 1.300 200 W CB -0.674 28.717 29.460 -0.114 0.000 1.120 200 W HN 0.240 nan 8.180 nan 0.000 0.618 201 L N 0.298 121.561 121.223 0.067 0.000 2.162 201 L HA -0.114 4.423 4.340 0.329 0.000 0.205 201 L C 1.803 178.706 176.870 0.055 0.000 1.086 201 L CA 0.936 55.786 54.840 0.016 0.000 0.778 201 L CB -0.511 41.525 42.059 -0.037 0.000 0.928 201 L HN -0.149 nan 8.230 nan 0.000 0.446 202 N N -0.520 118.220 118.700 0.067 0.000 2.415 202 N HA -0.010 4.928 4.740 0.329 0.000 0.176 202 N C 0.202 175.776 175.510 0.105 0.000 1.042 202 N CA 0.687 53.783 53.050 0.078 0.000 0.902 202 N CB 0.275 38.804 38.487 0.070 0.000 0.986 202 N HN 0.076 nan 8.380 nan 0.000 0.447 203 K N 0.881 121.345 120.400 0.106 0.000 2.606 203 K HA 0.319 4.836 4.320 0.329 0.000 0.196 203 K C -1.945 174.691 176.600 0.061 0.000 1.048 203 K CA -1.805 54.542 56.287 0.099 0.000 1.017 203 K CB 1.963 34.446 32.500 -0.029 0.000 1.413 203 K HN -0.120 nan 8.250 nan 0.000 0.568 204 P HA -0.231 nan 4.420 nan 0.000 0.216 204 P C 1.254 178.608 177.300 0.090 0.000 1.154 204 P CA 1.507 64.666 63.100 0.098 0.000 0.865 204 P CB 0.097 31.861 31.700 0.106 0.000 0.789 205 H N -0.990 118.102 119.070 0.037 0.000 2.357 205 H HA -0.029 4.725 4.556 0.329 0.000 0.301 205 H C 1.959 177.324 175.328 0.062 0.000 1.082 205 H CA 1.108 57.175 56.048 0.032 0.000 1.342 205 H CB -1.502 28.278 29.762 0.029 0.000 1.389 205 H HN 0.159 nan 8.280 nan 0.000 0.511 206 I N 0.544 120.828 120.570 -0.476 0.000 2.179 206 I HA -0.247 4.120 4.170 0.329 0.000 0.242 206 I C 2.754 178.922 176.117 0.085 0.000 1.088 206 I CA 1.072 62.277 61.300 -0.158 0.000 1.357 206 I CB -0.271 37.635 38.000 -0.156 0.000 1.051 206 I HN 0.147 nan 8.210 nan 0.000 0.409 207 L N 0.490 121.696 121.223 -0.029 0.000 2.012 207 L HA -0.252 4.285 4.340 0.329 0.000 0.210 207 L C 2.544 179.250 176.870 -0.274 0.000 1.073 207 L CA 1.906 56.528 54.840 -0.363 0.000 0.748 207 L CB -0.893 40.961 42.059 -0.341 0.000 0.891 207 L HN 0.209 nan 8.230 nan 0.000 0.431 208 Q N -0.684 119.031 119.800 -0.141 0.000 2.112 208 Q HA -0.315 4.222 4.340 0.329 0.000 0.206 208 Q C 2.332 178.249 176.000 -0.138 0.000 0.987 208 Q CA 2.215 57.947 55.803 -0.117 0.000 0.858 208 Q CB -0.503 28.211 28.738 -0.040 0.000 0.905 208 Q HN 0.799 nan 8.270 nan 0.000 0.420 209 H N -0.813 118.133 119.070 -0.205 0.000 2.352 209 H HA -0.173 4.580 4.556 0.329 0.000 0.299 209 H C 1.404 176.468 175.328 -0.439 0.000 1.097 209 H CA 2.129 57.990 56.048 -0.312 0.000 1.311 209 H CB -0.317 29.224 29.762 -0.368 0.000 1.377 209 H HN 0.252 nan 8.280 nan 0.000 0.504 210 Y N 0.144 120.194 120.300 -0.416 0.000 2.337 210 Y HA 0.082 4.830 4.550 0.329 0.000 0.293 210 Y C 2.659 178.307 175.900 -0.421 0.000 1.123 210 Y CA 0.901 58.720 58.100 -0.469 0.000 1.201 210 Y CB -0.046 38.250 38.460 -0.273 0.000 1.011 210 Y HN 0.129 nan 8.280 nan 0.000 0.545 211 R N 0.172 120.504 120.500 -0.280 0.000 2.148 211 R HA -0.129 4.408 4.340 0.329 0.000 0.227 211 R C 1.754 177.930 176.300 -0.207 0.000 1.103 211 R CA 1.382 57.339 56.100 -0.238 0.000 0.983 211 R CB -0.148 30.011 30.300 -0.235 0.000 0.874 211 R HN 0.497 nan 8.270 nan 0.000 0.451 212 E N -0.161 119.885 120.200 -0.257 0.000 2.158 212 E HA -0.121 4.427 4.350 0.329 0.000 0.191 212 E C 1.992 178.418 176.600 -0.290 0.000 0.982 212 E CA 0.514 56.774 56.400 -0.233 0.000 0.823 212 E CB 0.102 29.674 29.700 -0.214 0.000 0.766 212 E HN 0.213 nan 8.360 nan 0.000 0.468 213 R N 0.413 120.635 120.500 -0.463 0.000 2.048 213 R HA -0.001 4.536 4.340 0.329 0.000 0.224 213 R C 0.245 176.250 176.300 -0.492 0.000 1.163 213 R CA 0.597 56.344 56.100 -0.589 0.000 0.956 213 R CB 0.029 29.728 30.300 -1.002 0.000 0.849 213 R HN -0.021 nan 8.270 nan 0.000 0.435 214 F N 2.242 122.086 119.950 -0.176 0.000 2.652 214 F HA 0.126 4.851 4.527 0.329 0.000 0.352 214 F C 1.149 176.889 175.800 -0.099 0.000 1.259 214 F CA -0.037 57.886 58.000 -0.127 0.000 1.249 214 F CB 0.737 39.654 39.000 -0.139 0.000 1.628 214 F HN 0.152 nan 8.300 nan 0.000 0.654 215 T N -2.907 111.686 114.554 0.065 0.000 3.081 215 T HA 0.070 4.617 4.350 0.329 0.000 0.255 215 T C 0.576 175.319 174.700 0.073 0.000 1.113 215 T CA 0.163 62.284 62.100 0.036 0.000 1.082 215 T CB -0.085 68.784 68.868 0.002 0.000 0.939 215 T HN 0.189 nan 8.240 nan 0.000 0.506 216 N N 1.522 120.289 118.700 0.111 0.000 2.483 216 N HA 0.503 5.440 4.740 0.329 0.000 0.267 216 N C -1.317 174.259 175.510 0.109 0.000 0.998 216 N CA -0.379 52.735 53.050 0.106 0.000 0.918 216 N CB 1.964 40.514 38.487 0.106 0.000 1.215 216 N HN 0.354 nan 8.380 nan 0.000 0.500 217 I N 2.245 122.869 120.570 0.090 0.000 2.474 217 I HA 0.456 4.823 4.170 0.329 0.000 0.294 217 I C -0.774 175.378 176.117 0.059 0.000 1.005 217 I CA -0.852 60.490 61.300 0.071 0.000 1.113 217 I CB 1.627 39.676 38.000 0.082 0.000 1.289 217 I HN 0.115 nan 8.210 nan 0.000 0.436 218 L N 6.729 127.979 121.223 0.046 0.000 2.409 218 L HA 0.602 5.140 4.340 0.329 0.000 0.272 218 L C -0.759 176.131 176.870 0.033 0.000 0.980 218 L CA -0.574 54.282 54.840 0.027 0.000 0.826 218 L CB 2.026 44.101 42.059 0.027 0.000 1.268 218 L HN 0.217 nan 8.230 nan 0.000 0.407 219 V N 1.248 121.188 119.914 0.044 0.000 2.444 219 V HA 0.483 4.800 4.120 0.329 0.000 0.294 219 V C -0.718 175.439 176.094 0.104 0.000 1.022 219 V CA -0.564 61.803 62.300 0.113 0.000 0.850 219 V CB 1.801 33.810 31.823 0.311 0.000 0.992 219 V HN 0.643 nan 8.190 nan 0.000 0.426 220 D N 2.830 123.281 120.400 0.086 0.000 2.268 220 D HA 0.315 5.152 4.640 0.329 0.000 0.249 220 D C 0.397 176.779 176.300 0.136 0.000 1.008 220 D CA -0.100 53.948 54.000 0.081 0.000 0.939 220 D CB 1.296 42.121 40.800 0.042 0.000 1.170 220 D HN 0.630 nan 8.370 nan 0.000 0.468 221 E N 1.733 122.011 120.200 0.130 0.000 2.297 221 E HA -0.278 4.269 4.350 0.329 0.000 0.228 221 E C 0.804 177.517 176.600 0.188 0.000 1.213 221 E CA 0.126 56.618 56.400 0.154 0.000 0.712 221 E CB -1.848 27.948 29.700 0.159 0.000 1.202 221 E HN 0.541 nan 8.360 nan 0.000 0.376 222 F N 2.034 122.017 119.950 0.055 0.000 2.154 222 F HA -0.273 4.451 4.527 0.329 0.000 0.301 222 F C 2.594 178.422 175.800 0.047 0.000 1.087 222 F CA 2.371 60.402 58.000 0.052 0.000 1.274 222 F CB 0.115 39.089 39.000 -0.043 0.000 1.009 222 F HN 0.218 nan 8.300 nan 0.000 0.485 223 Q N -0.231 119.618 119.800 0.081 0.000 2.561 223 Q HA -0.187 4.350 4.340 0.329 0.000 0.217 223 Q C 0.654 176.601 176.000 -0.088 0.000 0.980 223 Q CA 1.541 57.337 55.803 -0.013 0.000 0.927 223 Q CB -0.856 27.926 28.738 0.074 0.000 0.980 223 Q HN 0.399 nan 8.270 nan 0.000 0.525 224 D N 1.617 121.963 120.400 -0.090 0.000 2.348 224 D HA -0.018 4.819 4.640 0.329 0.000 0.211 224 D C 0.228 176.246 176.300 -0.470 0.000 0.998 224 D CA 0.946 54.860 54.000 -0.143 0.000 0.873 224 D CB 0.059 40.859 40.800 -0.001 0.000 0.925 224 D HN 0.477 nan 8.370 nan 0.000 0.524 225 T N 0.075 114.317 114.554 -0.521 0.000 2.853 225 T HA 0.130 4.677 4.350 0.329 0.000 0.298 225 T C 0.476 174.842 174.700 -0.556 0.000 0.978 225 T CA -0.754 60.946 62.100 -0.668 0.000 1.152 225 T CB 0.483 68.886 68.868 -0.774 0.000 0.914 225 T HN 0.220 nan 8.240 nan 0.000 0.539 226 N N 3.134 121.491 118.700 -0.572 0.000 2.514 226 N HA 0.211 5.148 4.740 0.329 0.000 0.299 226 N C 0.880 176.213 175.510 -0.295 0.000 1.292 226 N CA -1.081 51.716 53.050 -0.422 0.000 0.963 226 N CB 0.747 38.967 38.487 -0.444 0.000 1.124 226 N HN 0.644 nan 8.380 nan 0.000 0.580 227 N N -0.772 117.791 118.700 -0.228 0.000 2.188 227 N HA -0.110 4.828 4.740 0.329 0.000 0.184 227 N C 1.562 177.000 175.510 -0.120 0.000 1.018 227 N CA 0.561 53.532 53.050 -0.132 0.000 0.858 227 N CB -0.132 38.277 38.487 -0.130 0.000 0.989 227 N HN 0.443 nan 8.380 nan 0.000 0.426 228 I N 1.693 122.136 120.570 -0.212 0.000 2.439 228 I HA -0.188 4.179 4.170 0.329 0.000 0.251 228 I C 1.865 177.839 176.117 -0.238 0.000 1.139 228 I CA 1.389 62.539 61.300 -0.250 0.000 1.438 228 I CB -0.160 37.690 38.000 -0.250 0.000 1.085 228 I HN 0.119 nan 8.210 nan 0.000 0.427 229 Q N -1.230 118.372 119.800 -0.330 0.000 2.123 229 Q HA -0.227 4.311 4.340 0.329 0.000 0.199 229 Q C 2.133 178.079 176.000 -0.090 0.000 0.966 229 Q CA 1.805 57.346 55.803 -0.436 0.000 0.845 229 Q CB -0.414 27.657 28.738 -1.112 0.000 0.907 229 Q HN 0.630 nan 8.270 nan 0.000 0.439 230 Y N 1.066 121.275 120.300 -0.152 0.000 2.145 230 Y HA -0.235 4.512 4.550 0.329 0.000 0.286 230 Y C 2.220 178.238 175.900 0.196 0.000 1.145 230 Y CA 1.389 59.535 58.100 0.076 0.000 1.148 230 Y CB -0.387 38.100 38.460 0.045 0.000 0.981 230 Y HN 0.081 nan 8.280 nan 0.000 0.507 231 A N -0.212 122.683 122.820 0.126 0.000 1.883 231 A HA -0.275 4.242 4.320 0.329 0.000 0.217 231 A C 2.108 179.801 177.584 0.183 0.000 1.186 231 A CA 1.737 53.805 52.037 0.051 0.000 0.624 231 A CB -1.787 17.081 19.000 -0.220 0.000 0.822 231 A HN 0.815 nan 8.150 nan 0.000 0.444 232 W N 0.667 121.976 121.300 0.015 0.000 2.318 232 W HA -0.212 4.646 4.660 0.330 0.000 0.313 232 W C 1.849 178.582 176.519 0.358 0.000 1.221 232 W CA 2.172 59.712 57.345 0.326 0.000 1.266 232 W CB -0.266 29.308 29.460 0.191 0.000 1.150 232 W HN 0.328 nan 8.180 nan 0.000 0.496 233 I N 0.047 120.871 120.570 0.424 0.000 2.252 233 I HA -0.281 4.086 4.170 0.329 0.000 0.245 233 I C 2.526 178.741 176.117 0.162 0.000 1.102 233 I CA 1.535 63.006 61.300 0.285 0.000 1.385 233 I CB -0.689 37.561 38.000 0.418 0.000 1.064 233 I HN -0.093 nan 8.210 nan 0.000 0.414 234 R N 1.497 122.033 120.500 0.060 0.000 2.083 234 R HA -0.153 4.384 4.340 0.329 0.000 0.237 234 R C 2.209 178.427 176.300 -0.136 0.000 1.137 234 R CA 1.675 57.682 56.100 -0.155 0.000 0.951 234 R CB -0.834 29.302 30.300 -0.273 0.000 0.851 234 R HN 0.282 nan 8.270 nan 0.000 0.434 235 L N -0.143 121.076 121.223 -0.007 0.000 1.989 235 L HA -0.206 4.332 4.340 0.329 0.000 0.211 235 L C 2.184 178.928 176.870 -0.211 0.000 1.071 235 L CA 1.545 56.365 54.840 -0.034 0.000 0.749 235 L CB -0.531 41.619 42.059 0.153 0.000 0.890 235 L HN 0.330 nan 8.230 nan 0.000 0.431 236 L N -0.047 120.997 121.223 -0.300 0.000 2.081 236 L HA -0.208 4.329 4.340 0.329 0.000 0.212 236 L C 2.462 179.161 176.870 -0.285 0.000 1.080 236 L CA 2.192 56.721 54.840 -0.519 0.000 0.754 236 L CB -0.737 40.986 42.059 -0.558 0.000 0.893 236 L HN 0.233 nan 8.230 nan 0.000 0.433 237 A N -1.211 121.527 122.820 -0.137 0.000 1.898 237 A HA 0.349 4.866 4.320 0.329 0.000 0.214 237 A C 1.813 179.325 177.584 -0.120 0.000 1.183 237 A CA 1.208 53.212 52.037 -0.056 0.000 0.622 237 A CB -1.207 17.864 19.000 0.119 0.000 0.824 237 A HN 0.765 nan 8.150 nan 0.000 0.444 238 G N -0.276 108.416 108.800 -0.180 0.000 2.596 238 G HA2 -0.371 3.786 3.960 0.329 0.000 0.295 238 G HA3 -0.371 3.786 3.960 0.329 0.000 0.295 238 G C 0.058 174.859 174.900 -0.166 0.000 1.240 238 G CA 0.789 45.783 45.100 -0.177 0.000 0.985 238 G HN 0.486 nan 8.290 nan 0.000 0.555 239 D N 0.283 120.610 120.400 -0.121 0.000 2.440 239 D HA 0.358 5.195 4.640 0.329 0.000 0.216 239 D C 1.935 178.198 176.300 -0.063 0.000 1.150 239 D CA 1.083 55.026 54.000 -0.096 0.000 0.832 239 D CB 0.525 41.274 40.800 -0.084 0.000 0.992 239 D HN 0.619 nan 8.370 nan 0.000 0.502 240 T N -3.288 111.229 114.554 -0.062 0.000 2.999 240 T HA 0.195 4.742 4.350 0.329 0.000 0.247 240 T C 1.419 176.107 174.700 -0.020 0.000 1.012 240 T CA -0.229 61.845 62.100 -0.043 0.000 1.048 240 T CB -0.001 68.832 68.868 -0.059 0.000 1.020 240 T HN 0.037 nan 8.240 nan 0.000 0.478 241 G N 2.198 110.988 108.800 -0.016 0.000 2.432 241 G HA2 0.489 4.647 3.960 0.329 0.000 0.257 241 G HA3 0.489 4.647 3.960 0.329 0.000 0.257 241 G C -0.614 174.330 174.900 0.074 0.000 1.238 241 G CA -0.546 44.568 45.100 0.023 0.000 0.838 241 G HN 0.109 nan 8.290 nan 0.000 0.547 242 K N 1.374 121.823 120.400 0.081 0.000 2.240 242 K HA 0.423 4.941 4.320 0.329 0.000 0.271 242 K C -0.485 176.189 176.600 0.123 0.000 1.018 242 K CA -0.510 55.839 56.287 0.103 0.000 0.874 242 K CB 1.867 34.415 32.500 0.079 0.000 1.098 242 K HN 0.207 nan 8.250 nan 0.000 0.458 243 V N 3.721 123.734 119.914 0.165 0.000 2.555 243 V HA 0.481 4.798 4.120 0.329 0.000 0.302 243 V C -0.063 176.082 176.094 0.084 0.000 1.038 243 V CA -0.933 61.453 62.300 0.142 0.000 0.887 243 V CB 1.932 33.876 31.823 0.203 0.000 0.991 243 V HN 0.718 nan 8.190 nan 0.000 0.434 244 M N 6.775 126.368 119.600 -0.013 0.000 2.181 244 M HA 0.671 5.348 4.480 0.329 0.000 0.323 244 M C -1.225 174.944 176.300 -0.219 0.000 1.004 244 M CA -0.600 54.643 55.300 -0.096 0.000 0.941 244 M CB 1.206 33.778 32.600 -0.047 0.000 1.579 244 M HN 0.803 nan 8.290 nan 0.000 0.427 245 I N 4.203 124.501 120.570 -0.455 0.000 2.530 245 I HA 0.842 5.209 4.170 0.329 0.000 0.297 245 I C -1.003 174.905 176.117 -0.348 0.000 1.011 245 I CA -0.995 60.004 61.300 -0.502 0.000 1.107 245 I CB 1.879 39.178 38.000 -1.168 0.000 1.285 245 I HN 0.536 nan 8.210 nan 0.000 0.436 246 V N 2.190 122.012 119.914 -0.154 0.000 2.823 246 V HA 1.106 5.423 4.120 0.329 0.000 0.312 246 V C -0.128 175.969 176.094 0.006 0.000 1.072 246 V CA 0.199 62.446 62.300 -0.087 0.000 0.937 246 V CB 1.038 32.830 31.823 -0.052 0.000 1.013 246 V HN 1.337 nan 8.190 nan 0.000 0.430 247 G N 1.942 110.750 108.800 0.014 0.000 2.340 247 G HA2 0.537 4.694 3.960 0.329 0.000 0.299 247 G HA3 0.537 4.694 3.960 0.329 0.000 0.299 247 G C -2.374 172.561 174.900 0.059 0.000 1.291 247 G CA 0.044 45.191 45.100 0.078 0.000 0.841 247 G HN 1.159 nan 8.290 nan 0.000 0.500 248 D N -0.714 119.734 120.400 0.080 0.000 2.890 248 D HA 0.293 5.130 4.640 0.329 0.000 0.233 248 D C 0.672 177.007 176.300 0.058 0.000 1.306 248 D CA -0.278 53.760 54.000 0.064 0.000 0.929 248 D CB 1.528 42.381 40.800 0.089 0.000 1.512 248 D HN 0.332 nan 8.370 nan 0.000 0.568 249 D N 2.045 122.465 120.400 0.033 0.000 2.310 249 D HA -0.149 4.688 4.640 0.329 0.000 0.212 249 D C 0.370 176.661 176.300 -0.015 0.000 0.965 249 D CA 0.321 54.333 54.000 0.019 0.000 0.879 249 D CB 0.326 41.133 40.800 0.012 0.000 0.921 249 D HN 0.365 nan 8.370 nan 0.000 0.510 250 D N 0.573 120.944 120.400 -0.048 0.000 2.355 250 D HA -0.025 4.812 4.640 0.329 0.000 0.218 250 D C 0.882 177.164 176.300 -0.030 0.000 1.004 250 D CA 0.382 54.296 54.000 -0.142 0.000 0.880 250 D CB 0.212 40.774 40.800 -0.397 0.000 0.911 250 D HN 0.443 nan 8.370 nan 0.000 0.528 251 Q N -0.031 119.806 119.800 0.063 0.000 2.186 251 Q HA 0.126 4.663 4.340 0.329 0.000 0.241 251 Q C -0.053 175.980 176.000 0.055 0.000 0.849 251 Q CA -0.158 55.708 55.803 0.104 0.000 1.053 251 Q CB 1.063 29.887 28.738 0.143 0.000 1.146 251 Q HN -0.130 nan 8.270 nan 0.000 0.475 252 S N 1.656 117.375 115.700 0.031 0.000 2.422 252 S HA 0.266 4.934 4.470 0.329 0.000 0.283 252 S C 0.578 175.178 174.600 0.000 0.000 1.163 252 S CA -0.392 57.822 58.200 0.025 0.000 1.054 252 S CB -0.101 63.108 63.200 0.014 0.000 0.967 252 S HN 0.521 nan 8.310 nan 0.000 0.499 253 I N 2.028 122.569 120.570 -0.048 0.000 3.994 253 I HA 0.387 4.754 4.170 0.329 0.000 0.323 253 I C -0.851 175.180 176.117 -0.144 0.000 1.501 253 I CA -0.493 60.746 61.300 -0.102 0.000 1.112 253 I CB 0.037 37.852 38.000 -0.309 0.000 1.254 253 I HN 0.502 nan 8.210 nan 0.000 0.495 254 Y N 1.428 121.717 120.300 -0.020 0.000 2.713 254 Y HA 0.490 5.239 4.550 0.332 0.000 0.269 254 Y C 2.078 177.635 175.900 -0.572 0.000 1.106 254 Y CA -0.354 57.451 58.100 -0.492 0.000 1.174 254 Y CB 1.198 39.317 38.460 -0.569 0.000 1.186 254 Y HN 0.224 nan 8.280 nan 0.000 0.555 255 G N 1.004 109.741 108.800 -0.105 0.000 2.450 255 G HA2 -0.254 3.903 3.960 0.329 0.000 0.220 255 G HA3 -0.254 3.903 3.960 0.329 0.000 0.220 255 G C 1.349 176.240 174.900 -0.015 0.000 1.130 255 G CA 0.875 45.953 45.100 -0.036 0.000 0.760 255 G HN 0.741 nan 8.290 nan 0.000 0.557 256 W N 1.503 122.855 121.300 0.087 0.000 2.721 256 W HA 0.088 4.952 4.660 0.339 0.000 0.245 256 W C 1.194 177.773 176.519 0.099 0.000 1.276 256 W CA 0.530 57.940 57.345 0.108 0.000 1.342 256 W CB -0.435 29.090 29.460 0.108 0.000 1.135 256 W HN 0.385 nan 8.180 nan 0.000 0.654 257 R N 0.041 120.272 120.500 -0.449 0.000 2.690 257 R HA 0.494 5.032 4.340 0.329 0.000 0.419 257 R C 1.074 177.144 176.300 -0.382 0.000 1.090 257 R CA 0.110 55.953 56.100 -0.429 0.000 1.064 257 R CB -0.143 29.701 30.300 -0.761 0.000 1.391 257 R HN -0.020 nan 8.270 nan 0.000 0.586 258 G N -0.027 108.614 108.800 -0.264 0.000 2.176 258 G HA2 -0.332 3.825 3.960 0.329 0.000 0.253 258 G HA3 -0.332 3.825 3.960 0.329 0.000 0.253 258 G C 0.293 175.036 174.900 -0.261 0.000 0.979 258 G CA -0.058 44.899 45.100 -0.239 0.000 0.641 258 G HN 0.668 nan 8.290 nan 0.000 0.530 259 A N 0.892 123.534 122.820 -0.298 0.000 2.343 259 A HA 0.636 5.154 4.320 0.329 0.000 0.305 259 A C 0.560 178.043 177.584 -0.169 0.000 1.308 259 A CA 0.482 52.356 52.037 -0.273 0.000 0.949 259 A CB 0.071 18.893 19.000 -0.297 0.000 1.148 259 A HN 0.910 nan 8.150 nan 0.000 0.545 260 Q N 2.075 121.784 119.800 -0.152 0.000 2.245 260 Q HA 0.496 5.033 4.340 0.329 0.000 0.256 260 Q C 0.106 176.061 176.000 -0.076 0.000 0.942 260 Q CA -0.934 54.812 55.803 -0.096 0.000 0.896 260 Q CB 1.383 30.067 28.738 -0.090 0.000 1.272 260 Q HN 0.273 nan 8.270 nan 0.000 0.442 261 V N 0.989 120.881 119.914 -0.037 0.000 2.720 261 V HA -0.232 4.085 4.120 0.329 0.000 0.256 261 V C 1.361 177.458 176.094 0.005 0.000 1.082 261 V CA 1.755 64.050 62.300 -0.008 0.000 1.101 261 V CB -0.840 30.983 31.823 0.001 0.000 0.693 261 V HN 0.755 nan 8.190 nan 0.000 0.479 262 E N 0.815 121.004 120.200 -0.019 0.000 2.267 262 E HA -0.173 4.374 4.350 0.329 0.000 0.197 262 E C 2.005 178.598 176.600 -0.013 0.000 0.998 262 E CA 0.869 57.259 56.400 -0.018 0.000 0.830 262 E CB -0.535 29.138 29.700 -0.044 0.000 0.751 262 E HN 0.566 nan 8.360 nan 0.000 0.491 263 N N 0.142 118.824 118.700 -0.030 0.000 2.192 263 N HA -0.149 4.788 4.740 0.329 0.000 0.188 263 N C 1.563 177.272 175.510 0.332 0.000 1.013 263 N CA 0.900 53.953 53.050 0.005 0.000 0.863 263 N CB -0.134 38.313 38.487 -0.068 0.000 0.990 263 N HN 0.274 nan 8.380 nan 0.000 0.430 264 I N 0.209 120.965 120.570 0.310 0.000 2.202 264 I HA -0.264 4.103 4.170 0.329 0.000 0.242 264 I C 2.365 178.591 176.117 0.182 0.000 1.091 264 I CA 0.994 62.446 61.300 0.254 0.000 1.368 264 I CB -0.190 37.904 38.000 0.156 0.000 1.058 264 I HN 0.096 nan 8.210 nan 0.000 0.410 265 Q N 1.381 121.257 119.800 0.126 0.000 2.124 265 Q HA -0.168 4.369 4.340 0.329 0.000 0.202 265 Q C 2.181 178.258 176.000 0.129 0.000 0.977 265 Q CA 1.647 57.512 55.803 0.104 0.000 0.850 265 Q CB -0.157 28.615 28.738 0.057 0.000 0.901 265 Q HN 0.311 nan 8.270 nan 0.000 0.429 266 R N -1.010 119.558 120.500 0.112 0.000 2.105 266 R HA -0.147 4.390 4.340 0.329 0.000 0.239 266 R C 2.158 178.671 176.300 0.354 0.000 1.135 266 R CA 1.451 57.619 56.100 0.114 0.000 0.967 266 R CB -0.586 29.613 30.300 -0.167 0.000 0.861 266 R HN 0.337 nan 8.270 nan 0.000 0.442 267 F N 1.508 121.631 119.950 0.289 0.000 2.134 267 F HA -0.148 4.577 4.527 0.329 0.000 0.299 267 F C 1.854 177.772 175.800 0.197 0.000 1.097 267 F CA 1.394 59.562 58.000 0.280 0.000 1.264 267 F CB -0.153 38.723 39.000 -0.206 0.000 1.001 267 F HN -0.105 nan 8.300 nan 0.000 0.479 268 L N 0.228 121.573 121.223 0.203 0.000 2.131 268 L HA -0.226 4.311 4.340 0.329 0.000 0.210 268 L C 1.967 178.851 176.870 0.023 0.000 1.092 268 L CA 1.089 55.971 54.840 0.071 0.000 0.759 268 L CB -0.725 41.406 42.059 0.119 0.000 0.903 268 L HN 0.227 nan 8.230 nan 0.000 0.435 269 N N -0.577 118.169 118.700 0.076 0.000 2.368 269 N HA -0.094 4.843 4.740 0.329 0.000 0.176 269 N C 1.184 176.726 175.510 0.053 0.000 1.021 269 N CA 0.923 54.007 53.050 0.057 0.000 0.888 269 N CB 0.039 38.564 38.487 0.063 0.000 0.995 269 N HN 0.318 nan 8.380 nan 0.000 0.437 270 D N -0.223 120.249 120.400 0.121 0.000 2.262 270 D HA 0.044 4.881 4.640 0.329 0.000 0.212 270 D C 0.028 176.263 176.300 -0.108 0.000 0.964 270 D CA 0.318 54.350 54.000 0.053 0.000 0.875 270 D CB -0.061 40.832 40.800 0.156 0.000 0.996 270 D HN 0.055 nan 8.370 nan 0.000 0.497 271 F N 1.314 121.075 119.950 -0.314 0.000 2.410 271 F HA 0.300 5.024 4.527 0.329 0.000 0.348 271 F C -1.832 173.803 175.800 -0.275 0.000 1.106 271 F CA -2.837 54.936 58.000 -0.378 0.000 1.163 271 F CB 0.274 38.819 39.000 -0.758 0.000 1.129 271 F HN -0.335 nan 8.300 nan 0.000 0.516 272 P HA 0.053 nan 4.420 nan 0.000 0.256 272 P C 0.630 177.916 177.300 -0.024 0.000 1.173 272 P CA 1.006 64.080 63.100 -0.043 0.000 0.768 272 P CB 0.135 31.809 31.700 -0.043 0.000 0.758 273 G N 2.975 111.760 108.800 -0.025 0.000 2.225 273 G HA2 -0.216 3.941 3.960 0.329 0.000 0.267 273 G HA3 -0.216 3.941 3.960 0.329 0.000 0.267 273 G C 0.489 175.382 174.900 -0.012 0.000 1.024 273 G CA -0.059 45.034 45.100 -0.013 0.000 0.784 273 G HN 0.837 nan 8.290 nan 0.000 0.507 274 A N -0.546 122.245 122.820 -0.048 0.000 2.520 274 A HA 0.563 5.080 4.320 0.329 0.000 0.245 274 A C 0.635 178.231 177.584 0.019 0.000 1.072 274 A CA 0.761 52.765 52.037 -0.054 0.000 0.761 274 A CB 0.352 19.197 19.000 -0.259 0.000 1.004 274 A HN 0.580 nan 8.150 nan 0.000 0.499 275 E N 0.281 120.521 120.200 0.066 0.000 2.423 275 E HA 0.601 5.148 4.350 0.329 0.000 0.269 275 E C -1.142 175.497 176.600 0.065 0.000 0.948 275 E CA -0.810 55.622 56.400 0.053 0.000 0.802 275 E CB 2.209 31.928 29.700 0.031 0.000 1.339 275 E HN 0.573 nan 8.360 nan 0.000 0.445 276 T N 1.143 115.719 114.554 0.036 0.000 2.848 276 T HA 0.538 5.085 4.350 0.329 0.000 0.285 276 T C -0.356 174.345 174.700 0.003 0.000 0.995 276 T CA -0.495 61.617 62.100 0.019 0.000 0.970 276 T CB 0.648 69.528 68.868 0.021 0.000 0.976 276 T HN 0.241 nan 8.240 nan 0.000 0.441 277 I N 2.957 123.519 120.570 -0.013 0.000 2.418 277 I HA 0.434 4.802 4.170 0.329 0.000 0.287 277 I C 0.114 176.221 176.117 -0.017 0.000 1.008 277 I CA -0.820 60.470 61.300 -0.017 0.000 1.104 277 I CB 1.691 39.672 38.000 -0.032 0.000 1.264 277 I HN 0.308 nan 8.210 nan 0.000 0.438 278 R N 6.670 127.167 120.500 -0.005 0.000 2.255 278 R HA 0.598 5.136 4.340 0.329 0.000 0.326 278 R C -0.883 175.419 176.300 0.003 0.000 0.986 278 R CA -0.723 55.377 56.100 0.000 0.000 0.847 278 R CB 1.481 31.788 30.300 0.012 0.000 1.111 278 R HN 0.500 nan 8.270 nan 0.000 0.452 279 L N 2.759 123.977 121.223 -0.008 0.000 2.399 279 L HA 0.240 4.777 4.340 0.329 0.000 0.266 279 L C 1.357 178.215 176.870 -0.020 0.000 1.114 279 L CA 0.028 54.860 54.840 -0.015 0.000 0.804 279 L CB 0.905 42.947 42.059 -0.029 0.000 1.146 279 L HN 0.789 nan 8.230 nan 0.000 0.451 280 E N 0.296 120.468 120.200 -0.047 0.000 2.665 280 E HA 0.044 4.591 4.350 0.329 0.000 0.225 280 E C 0.078 176.377 176.600 -0.502 0.000 0.922 280 E CA -0.281 56.073 56.400 -0.077 0.000 1.242 280 E CB 0.820 30.622 29.700 0.169 0.000 1.197 280 E HN 0.637 nan 8.360 nan 0.000 0.581 281 Q N 1.906 121.317 119.800 -0.648 0.000 2.307 281 Q HA 0.223 4.760 4.340 0.329 0.000 0.262 281 Q C -0.964 174.583 176.000 -0.755 0.000 0.961 281 Q CA -0.701 54.343 55.803 -1.264 0.000 0.882 281 Q CB 1.307 29.238 28.738 -1.345 0.000 1.264 281 Q HN 0.021 nan 8.270 nan 0.000 0.446 282 N N 3.451 121.716 118.700 -0.725 0.000 2.479 282 N HA 0.109 5.046 4.740 0.329 0.000 0.285 282 N C -0.897 174.347 175.510 -0.443 0.000 1.075 282 N CA 0.123 52.948 53.050 -0.375 0.000 0.967 282 N CB 0.681 39.024 38.487 -0.241 0.000 1.137 282 N HN 0.711 nan 8.380 nan 0.000 0.472 283 Y N 1.549 121.749 120.300 -0.167 0.000 2.432 283 Y HA 0.284 5.031 4.550 0.328 0.000 0.252 283 Y C 2.212 178.062 175.900 -0.083 0.000 1.097 283 Y CA -0.339 57.690 58.100 -0.117 0.000 1.250 283 Y CB 0.299 38.695 38.460 -0.107 0.000 1.245 283 Y HN 0.545 nan 8.280 nan 0.000 0.522 284 R N 0.442 120.972 120.500 0.050 0.000 2.062 284 R HA 0.058 4.595 4.340 0.329 0.000 0.226 284 R C 0.183 176.477 176.300 -0.010 0.000 1.125 284 R CA 1.178 57.282 56.100 0.007 0.000 0.966 284 R CB 0.074 30.356 30.300 -0.029 0.000 0.861 284 R HN 0.091 nan 8.270 nan 0.000 0.433 285 S N -0.119 115.563 115.700 -0.031 0.000 2.718 285 S HA 0.246 4.913 4.470 0.329 0.000 0.300 285 S C -0.292 174.297 174.600 -0.019 0.000 1.117 285 S CA -0.612 57.570 58.200 -0.029 0.000 1.002 285 S CB 1.797 64.969 63.200 -0.046 0.000 1.092 285 S HN 0.429 nan 8.310 nan 0.000 0.542 286 T N -1.218 113.330 114.554 -0.009 0.000 2.813 286 T HA 0.213 4.760 4.350 0.329 0.000 0.297 286 T C 1.300 176.002 174.700 0.003 0.000 1.036 286 T CA -0.182 61.920 62.100 0.004 0.000 1.044 286 T CB 0.752 69.625 68.868 0.010 0.000 0.993 286 T HN 0.419 nan 8.240 nan 0.000 0.535 287 S N 0.485 116.194 115.700 0.015 0.000 2.399 287 S HA -0.149 4.519 4.470 0.329 0.000 0.231 287 S C 1.954 176.567 174.600 0.021 0.000 1.022 287 S CA 1.555 59.769 58.200 0.024 0.000 0.983 287 S CB -0.902 62.319 63.200 0.034 0.000 0.803 287 S HN 0.786 nan 8.310 nan 0.000 0.480 288 N N 0.230 118.941 118.700 0.018 0.000 2.084 288 N HA -0.016 4.922 4.740 0.329 0.000 0.190 288 N C 1.697 177.214 175.510 0.011 0.000 1.030 288 N CA 1.640 54.701 53.050 0.017 0.000 0.849 288 N CB -0.167 38.330 38.487 0.017 0.000 1.012 288 N HN 0.384 nan 8.380 nan 0.000 0.423 289 I N 0.275 120.844 120.570 -0.001 0.000 2.252 289 I HA -0.208 4.159 4.170 0.329 0.000 0.245 289 I C 2.075 178.184 176.117 -0.013 0.000 1.102 289 I CA 0.566 61.857 61.300 -0.014 0.000 1.385 289 I CB -0.034 37.947 38.000 -0.032 0.000 1.064 289 I HN 0.202 nan 8.210 nan 0.000 0.414 290 L N 0.106 121.325 121.223 -0.007 0.000 2.093 290 L HA -0.133 4.404 4.340 0.329 0.000 0.208 290 L C 2.531 179.421 176.870 0.032 0.000 1.085 290 L CA 1.770 56.611 54.840 0.003 0.000 0.755 290 L CB -0.497 41.561 42.059 -0.001 0.000 0.904 290 L HN 0.064 nan 8.230 nan 0.000 0.435 291 S N -0.224 115.495 115.700 0.033 0.000 2.382 291 S HA -0.112 4.555 4.470 0.329 0.000 0.228 291 S C 2.080 176.705 174.600 0.042 0.000 1.027 291 S CA 1.019 59.244 58.200 0.041 0.000 0.991 291 S CB -0.520 62.701 63.200 0.035 0.000 0.823 291 S HN 0.646 nan 8.310 nan 0.000 0.469 292 A N 1.625 124.466 122.820 0.034 0.000 1.898 292 A HA 0.212 4.729 4.320 0.329 0.000 0.216 292 A C 2.366 179.981 177.584 0.053 0.000 1.181 292 A CA 1.514 53.573 52.037 0.036 0.000 0.620 292 A CB -1.078 17.938 19.000 0.026 0.000 0.819 292 A HN 0.495 nan 8.150 nan 0.000 0.442 293 A N 0.453 123.307 122.820 0.056 0.000 1.883 293 A HA -0.220 4.297 4.320 0.329 0.000 0.217 293 A C 1.963 179.673 177.584 0.209 0.000 1.186 293 A CA 1.897 54.006 52.037 0.121 0.000 0.624 293 A CB -0.659 18.361 19.000 0.034 0.000 0.822 293 A HN 0.535 nan 8.150 nan 0.000 0.444 294 N N 0.370 119.155 118.700 0.143 0.000 2.084 294 N HA -0.105 4.833 4.740 0.329 0.000 0.190 294 N C 1.918 177.460 175.510 0.053 0.000 1.030 294 N CA 1.657 54.768 53.050 0.102 0.000 0.849 294 N CB -0.641 37.894 38.487 0.079 0.000 1.012 294 N HN 0.463 nan 8.380 nan 0.000 0.423 295 A N 1.030 123.880 122.820 0.049 0.000 1.902 295 A HA -0.093 4.424 4.320 0.329 0.000 0.217 295 A C 2.250 179.850 177.584 0.027 0.000 1.181 295 A CA 0.968 53.024 52.037 0.032 0.000 0.623 295 A CB -0.718 18.300 19.000 0.032 0.000 0.818 295 A HN 0.246 nan 8.150 nan 0.000 0.443 296 L N -0.552 120.696 121.223 0.041 0.000 1.976 296 L HA -0.130 4.407 4.340 0.329 0.000 0.209 296 L C 2.207 179.070 176.870 -0.011 0.000 1.071 296 L CA 2.229 57.086 54.840 0.027 0.000 0.746 296 L CB -0.554 41.527 42.059 0.035 0.000 0.890 296 L HN 0.332 nan 8.230 nan 0.000 0.432 297 I N -0.085 120.469 120.570 -0.027 0.000 2.335 297 I HA -0.253 4.114 4.170 0.329 0.000 0.251 297 I C 2.275 178.325 176.117 -0.112 0.000 1.129 297 I CA 1.258 62.465 61.300 -0.155 0.000 1.402 297 I CB -0.422 37.321 38.000 -0.428 0.000 1.069 297 I HN 0.397 nan 8.210 nan 0.000 0.424 298 E N 0.568 120.731 120.200 -0.061 0.000 2.273 298 E HA -0.208 4.339 4.350 0.329 0.000 0.198 298 E C 1.735 178.317 176.600 -0.030 0.000 1.002 298 E CA 0.960 57.336 56.400 -0.041 0.000 0.828 298 E CB -0.288 29.403 29.700 -0.015 0.000 0.747 298 E HN 0.511 nan 8.360 nan 0.000 0.491 299 N N 0.762 119.450 118.700 -0.021 0.000 2.550 299 N HA -0.066 4.871 4.740 0.329 0.000 0.186 299 N C -0.207 175.298 175.510 -0.009 0.000 1.110 299 N CA 0.334 53.382 53.050 -0.004 0.000 0.912 299 N CB -0.033 38.467 38.487 0.023 0.000 0.968 299 N HN 0.109 nan 8.380 nan 0.000 0.448 300 N N 1.353 120.033 118.700 -0.032 0.000 2.498 300 N HA 0.179 5.116 4.740 0.329 0.000 0.287 300 N C -0.198 175.294 175.510 -0.030 0.000 1.097 300 N CA -0.160 52.871 53.050 -0.031 0.000 0.973 300 N CB 0.742 39.196 38.487 -0.056 0.000 1.153 300 N HN 0.041 nan 8.380 nan 0.000 0.472 301 N N -0.296 118.393 118.700 -0.019 0.000 2.476 301 N HA 0.407 5.344 4.740 0.329 0.000 0.276 301 N C 0.285 175.783 175.510 -0.019 0.000 1.204 301 N CA -0.240 52.800 53.050 -0.017 0.000 0.974 301 N CB 0.809 39.290 38.487 -0.009 0.000 1.204 301 N HN 0.625 nan 8.380 nan 0.000 0.543 302 G N 1.237 110.027 108.800 -0.016 0.000 2.422 302 G HA2 -0.243 3.914 3.960 0.329 0.000 0.290 302 G HA3 -0.243 3.914 3.960 0.329 0.000 0.290 302 G C -0.584 174.304 174.900 -0.020 0.000 1.059 302 G CA 0.022 45.113 45.100 -0.014 0.000 1.242 302 G HN 0.843 nan 8.290 nan 0.000 0.520 303 R N -1.799 118.688 120.500 -0.023 0.000 2.603 303 R HA 0.604 5.141 4.340 0.329 0.000 0.280 303 R C 0.630 176.917 176.300 -0.023 0.000 1.185 303 R CA -0.478 55.605 56.100 -0.029 0.000 1.039 303 R CB 0.305 30.575 30.300 -0.051 0.000 1.247 303 R HN 1.094 nan 8.270 nan 0.000 0.413 304 L N 1.909 123.123 121.223 -0.015 0.000 2.834 304 L HA 0.254 4.791 4.340 0.329 0.000 0.252 304 L C 1.158 178.023 176.870 -0.010 0.000 1.152 304 L CA 1.199 56.033 54.840 -0.009 0.000 0.898 304 L CB -2.168 39.890 42.059 -0.002 0.000 1.078 304 L HN 1.195 nan 8.230 nan 0.000 0.439 305 G N -0.462 108.326 108.800 -0.020 0.000 2.955 305 G HA2 -0.174 3.983 3.960 0.329 0.000 0.604 305 G HA3 -0.174 3.983 3.960 0.329 0.000 0.604 305 G C -0.205 174.689 174.900 -0.009 0.000 1.572 305 G CA 0.165 45.254 45.100 -0.020 0.000 1.016 305 G HN 0.974 nan 8.290 nan 0.000 0.569 306 K N 0.777 121.174 120.400 -0.004 0.000 2.527 306 K HA 0.711 5.228 4.320 0.329 0.000 0.260 306 K C 1.103 177.726 176.600 0.040 0.000 0.937 306 K CA -0.381 55.915 56.287 0.014 0.000 0.826 306 K CB 1.860 34.362 32.500 0.002 0.000 1.359 306 K HN 0.798 nan 8.250 nan 0.000 0.434 307 K N 1.525 121.968 120.400 0.071 0.000 1.978 307 K HA 0.040 4.558 4.320 0.329 0.000 0.221 307 K C 0.757 177.437 176.600 0.134 0.000 1.036 307 K CA 1.431 57.799 56.287 0.134 0.000 0.996 307 K CB -0.955 31.678 32.500 0.222 0.000 0.755 307 K HN 0.680 nan 8.250 nan 0.000 0.445 308 L N 0.561 121.834 121.223 0.084 0.000 3.052 308 L HA -0.111 4.426 4.340 0.329 0.000 0.652 308 L C -0.365 176.535 176.870 0.050 0.000 1.019 308 L CA 0.342 55.169 54.840 -0.022 0.000 1.317 308 L CB -0.743 41.331 42.059 0.026 0.000 1.728 308 L HN 0.898 nan 8.230 nan 0.000 0.839 309 W N 2.536 123.814 121.300 -0.037 0.000 3.029 309 W HA 0.797 5.655 4.660 0.329 0.000 0.339 309 W C -0.568 175.897 176.519 -0.090 0.000 1.198 309 W CA -0.526 56.790 57.345 -0.049 0.000 1.148 309 W CB 1.664 31.096 29.460 -0.046 0.000 1.451 309 W HN 0.318 nan 8.180 nan 0.000 0.564 310 T N -0.127 114.551 114.554 0.207 0.000 2.883 310 T HA 0.206 4.753 4.350 0.329 0.000 0.296 310 T C -0.294 174.549 174.700 0.238 0.000 1.117 310 T CA -0.255 61.856 62.100 0.017 0.000 1.006 310 T CB 2.082 70.909 68.868 -0.069 0.000 1.191 310 T HN 0.367 nan 8.240 nan 0.000 0.508 311 D N 1.369 121.842 120.400 0.121 0.000 2.301 311 D HA 0.212 5.049 4.640 0.329 0.000 0.206 311 D C 1.305 177.646 176.300 0.070 0.000 0.979 311 D CA 0.447 54.531 54.000 0.140 0.000 0.874 311 D CB -0.287 40.582 40.800 0.116 0.000 0.968 311 D HN 0.728 nan 8.370 nan 0.000 0.510 312 G N 0.528 109.348 108.800 0.034 0.000 2.720 312 G HA2 0.295 4.453 3.960 0.329 0.000 0.237 312 G HA3 0.295 4.453 3.960 0.329 0.000 0.237 312 G C 0.263 175.185 174.900 0.036 0.000 1.239 312 G CA 0.172 45.290 45.100 0.030 0.000 0.847 312 G HN 0.224 nan 8.290 nan 0.000 0.593 313 A N 0.436 123.276 122.820 0.034 0.000 2.346 313 A HA 0.358 4.875 4.320 0.329 0.000 0.252 313 A C 1.415 179.017 177.584 0.030 0.000 1.089 313 A CA 0.135 52.191 52.037 0.032 0.000 0.797 313 A CB 0.282 19.301 19.000 0.032 0.000 1.047 313 A HN 0.629 nan 8.150 nan 0.000 0.494 314 D N 0.332 120.750 120.400 0.029 0.000 2.158 314 D HA 0.115 4.953 4.640 0.329 0.000 0.197 314 D C 1.345 177.661 176.300 0.026 0.000 0.995 314 D CA 1.979 55.995 54.000 0.027 0.000 0.846 314 D CB -0.581 40.235 40.800 0.026 0.000 0.941 314 D HN 1.240 nan 8.370 nan 0.000 0.456 315 G N 0.578 109.395 108.800 0.029 0.000 2.750 315 G HA2 -0.271 3.886 3.960 0.329 0.000 0.228 315 G HA3 -0.271 3.886 3.960 0.329 0.000 0.228 315 G C -0.476 174.442 174.900 0.031 0.000 1.367 315 G CA -0.286 44.832 45.100 0.031 0.000 0.871 315 G HN 0.260 nan 8.290 nan 0.000 0.560 316 E N 1.188 121.407 120.200 0.033 0.000 2.408 316 E HA 0.356 4.903 4.350 0.329 0.000 0.259 316 E C -1.967 174.649 176.600 0.027 0.000 1.110 316 E CA -0.790 55.630 56.400 0.034 0.000 0.929 316 E CB 0.325 30.048 29.700 0.038 0.000 0.971 316 E HN 0.359 nan 8.360 nan 0.000 0.438 317 P HA 0.094 nan 4.420 nan 0.000 0.274 317 P C -0.580 176.736 177.300 0.027 0.000 1.256 317 P CA -0.171 62.949 63.100 0.033 0.000 0.795 317 P CB 0.512 32.238 31.700 0.043 0.000 1.038 318 I N 0.536 121.123 120.570 0.029 0.000 2.416 318 I HA 0.081 4.448 4.170 0.329 0.000 0.288 318 I C 0.559 176.709 176.117 0.055 0.000 1.051 318 I CA 0.181 61.497 61.300 0.025 0.000 1.375 318 I CB 0.463 38.480 38.000 0.027 0.000 1.407 318 I HN 0.205 nan 8.210 nan 0.000 0.516 319 S N 6.602 122.340 115.700 0.064 0.000 2.565 319 S HA 0.456 5.124 4.470 0.329 0.000 0.274 319 S C -0.474 174.219 174.600 0.154 0.000 1.309 319 S CA -0.409 57.865 58.200 0.123 0.000 1.043 319 S CB 1.033 64.335 63.200 0.170 0.000 0.939 319 S HN 0.347 nan 8.310 nan 0.000 0.504 320 L N 4.444 125.767 121.223 0.167 0.000 2.372 320 L HA 0.553 5.090 4.340 0.329 0.000 0.274 320 L C -1.615 175.355 176.870 0.167 0.000 0.988 320 L CA -0.522 54.429 54.840 0.184 0.000 0.833 320 L CB 1.147 43.307 42.059 0.169 0.000 1.236 320 L HN 0.670 nan 8.230 nan 0.000 0.410 321 Y N 5.084 125.342 120.300 -0.069 0.000 2.350 321 Y HA 0.459 5.208 4.550 0.333 0.000 0.338 321 Y C -0.683 174.916 175.900 -0.502 0.000 0.961 321 Y CA -1.094 56.795 58.100 -0.351 0.000 1.100 321 Y CB 1.530 39.484 38.460 -0.844 0.000 1.179 321 Y HN 0.764 nan 8.280 nan 0.000 0.454 322 C N 7.618 126.184 119.300 -1.223 0.000 2.200 322 C HA 0.869 5.526 4.460 0.329 0.000 0.328 322 C C 0.390 174.479 174.990 -1.501 0.000 1.148 322 C CA -0.386 57.750 59.018 -1.471 0.000 1.624 322 C CB -2.214 24.983 27.740 -0.905 0.000 2.167 322 C HN 0.951 nan 8.230 nan 0.000 0.484 323 A N 4.835 126.927 122.820 -1.213 0.000 2.322 323 A HA 0.485 5.002 4.320 0.329 0.000 0.269 323 A C 0.482 177.870 177.584 -0.327 0.000 1.094 323 A CA -0.449 51.182 52.037 -0.675 0.000 0.807 323 A CB 0.117 18.990 19.000 -0.211 0.000 1.047 323 A HN 0.961 nan 8.150 nan 0.000 0.487 324 F N 1.458 121.280 119.950 -0.213 0.000 2.075 324 F HA -0.061 4.674 4.527 0.347 0.000 0.297 324 F C 1.014 176.730 175.800 -0.141 0.000 1.113 324 F CA 2.294 60.210 58.000 -0.141 0.000 1.218 324 F CB 0.011 38.972 39.000 -0.065 0.000 0.984 324 F HN 0.818 nan 8.300 nan 0.000 0.472 325 N N -1.438 117.241 118.700 -0.036 0.000 3.439 325 N HA 0.077 5.014 4.740 0.329 0.000 0.313 325 N C 0.334 175.819 175.510 -0.043 0.000 1.598 325 N CA 0.020 52.993 53.050 -0.129 0.000 0.830 325 N CB -0.214 38.232 38.487 -0.069 0.000 1.849 325 N HN 0.060 nan 8.380 nan 0.000 0.598 326 E N 0.121 120.288 120.200 -0.055 0.000 2.204 326 E HA -0.081 4.466 4.350 0.329 0.000 0.194 326 E C 1.262 177.863 176.600 0.001 0.000 0.989 326 E CA 0.977 57.360 56.400 -0.029 0.000 0.824 326 E CB -0.376 29.292 29.700 -0.054 0.000 0.756 326 E HN 0.619 nan 8.360 nan 0.000 0.477 327 L N 0.930 122.162 121.223 0.015 0.000 2.044 327 L HA -0.123 4.415 4.340 0.329 0.000 0.205 327 L C 2.545 179.450 176.870 0.059 0.000 1.075 327 L CA 1.685 56.539 54.840 0.024 0.000 0.747 327 L CB -0.478 41.597 42.059 0.028 0.000 0.903 327 L HN 0.124 nan 8.230 nan 0.000 0.435 328 D N 0.065 120.528 120.400 0.105 0.000 2.144 328 D HA -0.258 4.579 4.640 0.329 0.000 0.199 328 D C 2.081 178.503 176.300 0.203 0.000 0.984 328 D CA 1.224 55.318 54.000 0.157 0.000 0.834 328 D CB 0.159 41.087 40.800 0.215 0.000 0.955 328 D HN 0.284 nan 8.370 nan 0.000 0.465 329 E N -0.358 119.938 120.200 0.161 0.000 2.038 329 E HA -0.248 4.299 4.350 0.329 0.000 0.195 329 E C 2.011 178.717 176.600 0.177 0.000 1.000 329 E CA 1.247 57.765 56.400 0.196 0.000 0.803 329 E CB -0.249 29.513 29.700 0.104 0.000 0.750 329 E HN 0.326 nan 8.360 nan 0.000 0.448 330 A N 0.974 123.840 122.820 0.076 0.000 1.877 330 A HA -0.194 4.323 4.320 0.329 0.000 0.216 330 A C 2.215 179.792 177.584 -0.010 0.000 1.186 330 A CA 1.739 53.780 52.037 0.006 0.000 0.620 330 A CB -0.563 18.414 19.000 -0.039 0.000 0.822 330 A HN 0.182 nan 8.150 nan 0.000 0.443 331 R N -1.790 118.723 120.500 0.022 0.000 2.091 331 R HA -0.130 4.408 4.340 0.329 0.000 0.238 331 R C 1.901 178.197 176.300 -0.008 0.000 1.136 331 R CA 1.725 57.825 56.100 -0.001 0.000 0.959 331 R CB -0.546 29.769 30.300 0.025 0.000 0.856 331 R HN 0.623 nan 8.270 nan 0.000 0.437 332 F N 0.330 120.225 119.950 -0.090 0.000 2.102 332 F HA -0.213 4.512 4.527 0.331 0.000 0.298 332 F C 1.859 177.538 175.800 -0.201 0.000 1.105 332 F CA 1.410 59.300 58.000 -0.184 0.000 1.239 332 F CB -0.411 38.419 39.000 -0.283 0.000 0.991 332 F HN -0.233 nan 8.300 nan 0.000 0.474 333 V N -0.087 119.715 119.914 -0.186 0.000 2.287 333 V HA -0.320 3.998 4.120 0.329 0.000 0.248 333 V C 2.450 178.179 176.094 -0.608 0.000 1.053 333 V CA 1.788 63.779 62.300 -0.515 0.000 1.027 333 V CB -0.940 30.659 31.823 -0.374 0.000 0.646 333 V HN 0.308 nan 8.190 nan 0.000 0.447 334 V N 1.168 120.863 119.914 -0.366 0.000 2.287 334 V HA -0.322 3.995 4.120 0.329 0.000 0.248 334 V C 2.475 178.411 176.094 -0.263 0.000 1.053 334 V CA 2.443 64.574 62.300 -0.282 0.000 1.027 334 V CB -0.995 30.722 31.823 -0.176 0.000 0.646 334 V HN 0.752 nan 8.190 nan 0.000 0.447 335 N N 0.412 118.946 118.700 -0.277 0.000 2.069 335 N HA -0.258 4.680 4.740 0.329 0.000 0.191 335 N C 2.005 177.349 175.510 -0.277 0.000 1.031 335 N CA 1.883 54.786 53.050 -0.246 0.000 0.852 335 N CB -0.146 38.190 38.487 -0.252 0.000 1.018 335 N HN 0.252 nan 8.380 nan 0.000 0.423 336 R N 0.762 120.991 120.500 -0.452 0.000 2.096 336 R HA 0.145 4.682 4.340 0.329 0.000 0.235 336 R C 2.313 178.558 176.300 -0.092 0.000 1.127 336 R CA 0.745 56.661 56.100 -0.307 0.000 0.968 336 R CB -0.587 29.491 30.300 -0.370 0.000 0.861 336 R HN 0.403 nan 8.270 nan 0.000 0.440 337 I N 0.225 120.672 120.570 -0.205 0.000 2.252 337 I HA -0.284 4.083 4.170 0.329 0.000 0.245 337 I C 1.994 178.159 176.117 0.081 0.000 1.102 337 I CA 1.247 62.521 61.300 -0.044 0.000 1.385 337 I CB -0.222 37.669 38.000 -0.181 0.000 1.064 337 I HN 0.137 nan 8.210 nan 0.000 0.414 338 K N 0.314 120.708 120.400 -0.011 0.000 2.044 338 K HA -0.188 4.329 4.320 0.329 0.000 0.210 338 K C 2.112 178.739 176.600 0.046 0.000 1.049 338 K CA 2.112 58.406 56.287 0.012 0.000 0.927 338 K CB -0.363 32.118 32.500 -0.032 0.000 0.713 338 K HN 0.297 nan 8.250 nan 0.000 0.443 339 T N 0.690 115.269 114.554 0.041 0.000 2.684 339 T HA -0.212 4.335 4.350 0.329 0.000 0.267 339 T C 1.208 175.983 174.700 0.125 0.000 1.036 339 T CA 1.369 63.505 62.100 0.059 0.000 1.148 339 T CB -0.315 68.582 68.868 0.049 0.000 0.863 339 T HN 0.480 nan 8.240 nan 0.000 0.436 340 W N 2.030 123.330 121.300 0.000 0.000 2.335 340 W HA -0.183 4.677 4.660 0.334 0.000 0.311 340 W C 2.181 178.712 176.519 0.019 0.000 1.213 340 W CA 1.591 58.952 57.345 0.026 0.000 1.274 340 W CB -0.459 29.038 29.460 0.061 0.000 1.148 340 W HN 0.338 nan 8.180 nan 0.000 0.498 341 Q N 0.322 120.203 119.800 0.135 0.000 2.119 341 Q HA -0.204 4.334 4.340 0.329 0.000 0.201 341 Q C 1.631 177.591 176.000 -0.067 0.000 0.972 341 Q CA 1.978 57.783 55.803 0.004 0.000 0.847 341 Q CB -0.379 28.414 28.738 0.091 0.000 0.903 341 Q HN 0.066 nan 8.270 nan 0.000 0.433 342 D N 0.433 120.814 120.400 -0.032 0.000 2.264 342 D HA -0.089 4.748 4.640 0.329 0.000 0.208 342 D C 0.699 176.953 176.300 -0.076 0.000 0.966 342 D CA 0.668 54.643 54.000 -0.041 0.000 0.864 342 D CB -0.114 40.675 40.800 -0.019 0.000 0.933 342 D HN 0.258 nan 8.370 nan 0.000 0.499 343 N N -0.353 118.273 118.700 -0.123 0.000 2.276 343 N HA 0.151 5.089 4.740 0.329 0.000 0.212 343 N C 1.021 176.387 175.510 -0.240 0.000 1.127 343 N CA 0.496 53.453 53.050 -0.156 0.000 0.834 343 N CB 1.179 39.581 38.487 -0.143 0.000 1.014 343 N HN 0.172 nan 8.380 nan 0.000 0.491 344 G N -0.487 108.166 108.800 -0.244 0.000 2.141 344 G HA2 -0.188 3.970 3.960 0.329 0.000 0.231 344 G HA3 -0.188 3.970 3.960 0.329 0.000 0.231 344 G C 0.389 175.057 174.900 -0.387 0.000 0.984 344 G CA -0.155 44.796 45.100 -0.247 0.000 0.660 344 G HN 0.546 nan 8.290 nan 0.000 0.525 345 G N -0.112 108.276 108.800 -0.685 0.000 2.420 345 G HA2 0.772 4.929 3.960 0.329 0.000 0.284 345 G HA3 0.772 4.929 3.960 0.329 0.000 0.284 345 G C 0.377 175.162 174.900 -0.192 0.000 1.177 345 G CA 0.592 45.078 45.100 -1.023 0.000 0.841 345 G HN 1.473 nan 8.290 nan 0.000 0.527 346 A N 1.522 124.461 122.820 0.199 0.000 2.340 346 A HA 0.470 4.987 4.320 0.329 0.000 0.268 346 A C 1.393 179.237 177.584 0.432 0.000 1.100 346 A CA -0.591 51.606 52.037 0.266 0.000 0.803 346 A CB 0.531 19.663 19.000 0.221 0.000 1.043 346 A HN 0.696 nan 8.150 nan 0.000 0.488 347 L N 1.697 123.079 121.223 0.264 0.000 2.141 347 L HA -0.151 4.386 4.340 0.329 0.000 0.209 347 L C 2.749 179.727 176.870 0.181 0.000 1.094 347 L CA 1.441 56.412 54.840 0.217 0.000 0.763 347 L CB -0.444 41.691 42.059 0.127 0.000 0.908 347 L HN 0.845 nan 8.230 nan 0.000 0.437 348 A N -0.268 122.662 122.820 0.184 0.000 2.172 348 A HA -0.143 4.374 4.320 0.329 0.000 0.216 348 A C 1.873 179.615 177.584 0.263 0.000 1.154 348 A CA 1.038 53.189 52.037 0.190 0.000 0.701 348 A CB -0.344 18.752 19.000 0.158 0.000 0.789 348 A HN 0.468 nan 8.150 nan 0.000 0.465 349 E N -1.250 119.116 120.200 0.277 0.000 2.465 349 E HA 0.087 4.634 4.350 0.329 0.000 0.191 349 E C -0.661 175.996 176.600 0.094 0.000 1.053 349 E CA -0.360 56.208 56.400 0.279 0.000 0.869 349 E CB 0.032 29.971 29.700 0.398 0.000 0.977 349 E HN 0.525 nan 8.360 nan 0.000 0.483 350 C N 1.364 120.681 119.300 0.027 0.000 2.345 350 C HA 0.734 5.391 4.460 0.329 0.000 0.323 350 C C 0.289 175.158 174.990 -0.202 0.000 1.276 350 C CA -0.816 58.140 59.018 -0.103 0.000 1.543 350 C CB 0.603 28.303 27.740 -0.067 0.000 2.211 350 C HN 0.293 nan 8.230 nan 0.000 0.493 351 A N 4.017 126.616 122.820 -0.370 0.000 2.342 351 A HA 0.888 5.405 4.320 0.329 0.000 0.323 351 A C -0.807 176.661 177.584 -0.193 0.000 1.125 351 A CA -0.408 51.270 52.037 -0.600 0.000 0.785 351 A CB 0.573 18.687 19.000 -1.476 0.000 1.221 351 A HN 0.841 nan 8.150 nan 0.000 0.463 352 I N 3.287 123.771 120.570 -0.144 0.000 2.354 352 I HA 0.318 4.685 4.170 0.329 0.000 0.286 352 I C -0.819 175.225 176.117 -0.122 0.000 1.007 352 I CA -0.171 61.124 61.300 -0.009 0.000 1.167 352 I CB 1.192 39.204 38.000 0.020 0.000 1.320 352 I HN 0.483 nan 8.210 nan 0.000 0.458 353 L N 7.304 128.452 121.223 -0.125 0.000 2.331 353 L HA 0.606 5.144 4.340 0.329 0.000 0.275 353 L C -0.989 175.774 176.870 -0.179 0.000 1.022 353 L CA -0.926 53.721 54.840 -0.322 0.000 0.812 353 L CB 1.468 43.390 42.059 -0.229 0.000 1.257 353 L HN 0.471 nan 8.230 nan 0.000 0.435 354 Y N -0.556 119.707 120.300 -0.061 0.000 2.597 354 Y HA 0.582 5.325 4.550 0.322 0.000 0.340 354 Y C 0.317 176.133 175.900 -0.141 0.000 1.097 354 Y CA -1.491 56.562 58.100 -0.079 0.000 1.037 354 Y CB 1.088 39.525 38.460 -0.039 0.000 1.305 354 Y HN 0.331 nan 8.280 nan 0.000 0.463 355 R N 1.456 121.967 120.500 0.018 0.000 2.073 355 R HA 0.112 4.649 4.340 0.329 0.000 0.229 355 R C -0.174 176.164 176.300 0.063 0.000 1.120 355 R CA 1.578 57.620 56.100 -0.095 0.000 0.967 355 R CB -0.305 29.921 30.300 -0.122 0.000 0.862 355 R HN 0.812 nan 8.270 nan 0.000 0.436 356 S N -0.864 114.913 115.700 0.127 0.000 2.536 356 S HA 0.357 5.024 4.470 0.329 0.000 0.298 356 S C 0.085 174.747 174.600 0.103 0.000 1.083 356 S CA -0.986 57.266 58.200 0.087 0.000 0.995 356 S CB 1.665 64.878 63.200 0.022 0.000 1.058 356 S HN 0.188 nan 8.310 nan 0.000 0.488 357 N N 1.474 120.225 118.700 0.086 0.000 2.272 357 N HA -0.113 4.824 4.740 0.329 0.000 0.185 357 N C 1.808 177.227 175.510 -0.152 0.000 1.014 357 N CA 1.336 54.410 53.050 0.040 0.000 0.870 357 N CB -0.575 37.956 38.487 0.074 0.000 0.975 357 N HN 0.855 nan 8.380 nan 0.000 0.433 358 A N 1.123 123.873 122.820 -0.117 0.000 2.070 358 A HA -0.151 4.367 4.320 0.329 0.000 0.220 358 A C 2.036 179.483 177.584 -0.229 0.000 1.159 358 A CA 1.024 52.977 52.037 -0.140 0.000 0.656 358 A CB -0.372 18.576 19.000 -0.086 0.000 0.800 358 A HN 0.346 nan 8.150 nan 0.000 0.453 359 Q N 0.039 119.641 119.800 -0.330 0.000 2.436 359 Q HA -0.086 4.451 4.340 0.329 0.000 0.209 359 Q C 2.194 177.870 176.000 -0.540 0.000 0.965 359 Q CA 1.179 56.754 55.803 -0.382 0.000 0.910 359 Q CB -0.146 28.403 28.738 -0.314 0.000 0.980 359 Q HN 0.877 nan 8.270 nan 0.000 0.491 360 S N 0.330 115.604 115.700 -0.711 0.000 2.406 360 S HA -0.163 4.504 4.470 0.329 0.000 0.228 360 S C 1.841 176.263 174.600 -0.297 0.000 1.020 360 S CA 0.530 58.396 58.200 -0.556 0.000 0.965 360 S CB -0.108 62.834 63.200 -0.430 0.000 0.798 360 S HN 0.297 nan 8.310 nan 0.000 0.488 361 R N 1.006 121.366 120.500 -0.232 0.000 2.115 361 R HA -0.106 4.431 4.340 0.329 0.000 0.239 361 R C 2.073 178.277 176.300 -0.159 0.000 1.133 361 R CA 2.172 58.175 56.100 -0.162 0.000 0.935 361 R CB -0.886 29.337 30.300 -0.128 0.000 0.853 361 R HN 0.376 nan 8.270 nan 0.000 0.433 362 V N 1.344 121.166 119.914 -0.154 0.000 2.407 362 V HA -0.249 4.068 4.120 0.329 0.000 0.248 362 V C 2.370 178.378 176.094 -0.142 0.000 1.055 362 V CA 1.746 63.970 62.300 -0.126 0.000 1.049 362 V CB -0.386 31.375 31.823 -0.104 0.000 0.662 362 V HN 0.355 nan 8.190 nan 0.000 0.455 363 L N -0.311 120.806 121.223 -0.176 0.000 2.046 363 L HA -0.209 4.328 4.340 0.329 0.000 0.208 363 L C 2.570 179.272 176.870 -0.281 0.000 1.077 363 L CA 2.012 56.737 54.840 -0.192 0.000 0.747 363 L CB -0.564 41.389 42.059 -0.176 0.000 0.896 363 L HN 0.399 nan 8.230 nan 0.000 0.432 364 E N 0.532 120.531 120.200 -0.336 0.000 2.058 364 E HA -0.259 4.288 4.350 0.329 0.000 0.194 364 E C 2.005 178.429 176.600 -0.293 0.000 0.997 364 E CA 1.570 57.682 56.400 -0.479 0.000 0.801 364 E CB 0.061 29.568 29.700 -0.323 0.000 0.746 364 E HN 0.472 nan 8.360 nan 0.000 0.450 365 E N -0.020 120.076 120.200 -0.173 0.000 2.118 365 E HA -0.212 4.335 4.350 0.329 0.000 0.195 365 E C 2.022 178.564 176.600 -0.097 0.000 0.992 365 E CA 0.901 57.239 56.400 -0.103 0.000 0.804 365 E CB -0.151 29.502 29.700 -0.079 0.000 0.741 365 E HN 0.369 nan 8.360 nan 0.000 0.458 366 A N 1.028 123.776 122.820 -0.121 0.000 1.968 366 A HA -0.080 4.438 4.320 0.329 0.000 0.217 366 A C 2.166 179.685 177.584 -0.108 0.000 1.169 366 A CA 0.741 52.718 52.037 -0.100 0.000 0.638 366 A CB -0.400 18.540 19.000 -0.100 0.000 0.812 366 A HN 0.103 nan 8.150 nan 0.000 0.446 367 L N -0.681 120.443 121.223 -0.166 0.000 2.056 367 L HA -0.131 4.406 4.340 0.329 0.000 0.207 367 L C 2.540 179.400 176.870 -0.017 0.000 1.078 367 L CA 0.892 55.652 54.840 -0.133 0.000 0.749 367 L CB -0.469 41.402 42.059 -0.314 0.000 0.901 367 L HN 0.363 nan 8.230 nan 0.000 0.433 368 L N -0.576 120.644 121.223 -0.006 0.000 2.017 368 L HA -0.267 4.270 4.340 0.329 0.000 0.208 368 L C 2.702 179.583 176.870 0.017 0.000 1.073 368 L CA 1.454 56.330 54.840 0.060 0.000 0.745 368 L CB -0.543 41.551 42.059 0.058 0.000 0.894 368 L HN 0.378 nan 8.230 nan 0.000 0.432 369 Q N 0.121 119.914 119.800 -0.011 0.000 2.234 369 Q HA -0.199 4.338 4.340 0.329 0.000 0.206 369 Q C 1.802 177.793 176.000 -0.014 0.000 0.980 369 Q CA 1.519 57.313 55.803 -0.014 0.000 0.869 369 Q CB 0.020 28.743 28.738 -0.024 0.000 0.912 369 Q HN 0.524 nan 8.270 nan 0.000 0.436 370 A N -0.555 122.254 122.820 -0.017 0.000 2.275 370 A HA 0.175 4.692 4.320 0.329 0.000 0.212 370 A C 0.680 178.262 177.584 -0.003 0.000 1.201 370 A CA 0.478 52.505 52.037 -0.018 0.000 0.843 370 A CB 0.224 19.203 19.000 -0.034 0.000 0.873 370 A HN 0.291 nan 8.150 nan 0.000 0.492 371 S N -1.476 114.230 115.700 0.010 0.000 3.581 371 S HA -0.199 4.469 4.470 0.329 0.000 0.354 371 S C 0.025 174.638 174.600 0.022 0.000 1.059 371 S CA 1.187 59.397 58.200 0.016 0.000 1.060 371 S CB -1.721 61.482 63.200 0.005 0.000 0.908 371 S HN 0.807 nan 8.310 nan 0.000 0.475 372 M N 1.448 121.074 119.600 0.042 0.000 2.101 372 M HA 0.400 5.077 4.480 0.329 0.000 0.340 372 M C -2.733 173.633 176.300 0.111 0.000 1.057 372 M CA -2.081 53.249 55.300 0.051 0.000 0.984 372 M CB 1.279 33.896 32.600 0.028 0.000 1.560 372 M HN -0.195 nan 8.290 nan 0.000 0.435 373 P HA 0.154 nan 4.420 nan 0.000 0.269 373 P C -1.918 175.409 177.300 0.044 0.000 1.209 373 P CA 0.375 63.456 63.100 -0.031 0.000 0.776 373 P CB 0.213 31.861 31.700 -0.086 0.000 0.876 374 Y N -0.725 119.522 120.300 -0.088 0.000 2.656 374 Y HA 0.725 5.476 4.550 0.335 0.000 0.334 374 Y C -1.241 174.581 175.900 -0.129 0.000 1.179 374 Y CA -1.360 56.686 58.100 -0.090 0.000 1.050 374 Y CB 1.237 39.648 38.460 -0.082 0.000 1.308 374 Y HN 0.063 nan 8.280 nan 0.000 0.456 375 R N 2.511 122.990 120.500 -0.035 0.000 2.575 375 R HA 0.619 5.157 4.340 0.329 0.000 0.293 375 R C -1.541 174.580 176.300 -0.298 0.000 0.983 375 R CA -0.774 55.170 56.100 -0.260 0.000 0.887 375 R CB 2.365 32.489 30.300 -0.293 0.000 1.184 375 R HN 0.889 nan 8.270 nan 0.000 0.445 376 I N 3.277 123.643 120.570 -0.341 0.000 2.441 376 I HA 0.430 4.797 4.170 0.329 0.000 0.295 376 I C -0.710 175.123 176.117 -0.474 0.000 0.994 376 I CA -0.964 60.195 61.300 -0.234 0.000 1.144 376 I CB 1.335 39.362 38.000 0.045 0.000 1.314 376 I HN 0.394 nan 8.210 nan 0.000 0.445 377 Y N 2.805 123.169 120.300 0.107 0.000 2.446 377 Y HA 0.714 5.460 4.550 0.326 0.000 0.345 377 Y C 0.748 176.702 175.900 0.089 0.000 0.984 377 Y CA -0.618 57.529 58.100 0.079 0.000 1.058 377 Y CB 2.003 40.493 38.460 0.050 0.000 1.220 377 Y HN 0.812 nan 8.280 nan 0.000 0.455 378 G N 0.532 109.460 108.800 0.213 0.000 2.781 378 G HA2 0.353 4.510 3.960 0.329 0.000 0.683 378 G HA3 0.353 4.510 3.960 0.329 0.000 0.683 378 G C 0.167 175.143 174.900 0.127 0.000 1.390 378 G CA -0.277 44.913 45.100 0.150 0.000 0.850 378 G HN 1.820 nan 8.290 nan 0.000 0.557 379 G N -0.195 108.666 108.800 0.100 0.000 2.539 379 G HA2 0.119 4.276 3.960 0.329 0.000 0.256 379 G HA3 0.119 4.276 3.960 0.329 0.000 0.256 379 G C 0.439 175.381 174.900 0.070 0.000 1.233 379 G CA 0.533 45.681 45.100 0.079 0.000 0.936 379 G HN 1.757 nan 8.290 nan 0.000 0.571 380 M N 1.941 121.573 119.600 0.054 0.000 2.557 380 M HA 0.347 5.024 4.480 0.329 0.000 0.328 380 M C 0.863 177.198 176.300 0.058 0.000 1.423 380 M CA 0.245 55.575 55.300 0.049 0.000 1.418 380 M CB 0.100 32.717 32.600 0.027 0.000 1.381 380 M HN 0.440 nan 8.290 nan 0.000 0.467 381 R N 0.567 121.118 120.500 0.085 0.000 2.719 381 R HA 0.364 4.901 4.340 0.329 0.000 0.233 381 R C 1.050 177.417 176.300 0.112 0.000 1.257 381 R CA -0.774 55.394 56.100 0.114 0.000 1.109 381 R CB -0.230 30.166 30.300 0.160 0.000 1.447 381 R HN 0.466 nan 8.270 nan 0.000 0.537 382 F N 1.105 121.028 119.950 -0.045 0.000 2.039 382 F HA -0.285 4.439 4.527 0.327 0.000 0.296 382 F C 1.625 177.294 175.800 -0.218 0.000 1.119 382 F CA 1.864 59.748 58.000 -0.193 0.000 1.211 382 F CB -0.479 38.303 39.000 -0.364 0.000 0.956 382 F HN 0.406 nan 8.300 nan 0.000 0.496 383 F N 0.221 120.173 119.950 0.003 0.000 2.722 383 F HA -0.028 4.696 4.527 0.328 0.000 0.298 383 F C 1.602 177.346 175.800 -0.093 0.000 1.175 383 F CA 0.769 58.707 58.000 -0.102 0.000 1.462 383 F CB -0.503 38.506 39.000 0.015 0.000 1.111 383 F HN 0.097 nan 8.300 nan 0.000 0.592 384 E N -0.824 119.401 120.200 0.042 0.000 2.538 384 E HA 0.127 4.674 4.350 0.329 0.000 0.207 384 E C 0.416 176.998 176.600 -0.029 0.000 1.002 384 E CA -0.170 56.251 56.400 0.035 0.000 0.952 384 E CB 0.360 30.099 29.700 0.065 0.000 1.031 384 E HN 0.131 nan 8.360 nan 0.000 0.476 385 R N 1.294 121.721 120.500 -0.122 0.000 2.490 385 R HA 0.065 4.602 4.340 0.329 0.000 0.280 385 R C 1.174 177.408 176.300 -0.111 0.000 1.077 385 R CA 0.030 56.046 56.100 -0.139 0.000 1.065 385 R CB 0.683 30.836 30.300 -0.245 0.000 1.003 385 R HN 0.238 nan 8.270 nan 0.000 0.470 386 Q N 2.614 122.379 119.800 -0.058 0.000 2.047 386 Q HA -0.280 4.257 4.340 0.329 0.000 0.211 386 Q C 1.638 177.640 176.000 0.003 0.000 1.005 386 Q CA 2.430 58.235 55.803 0.003 0.000 0.866 386 Q CB 0.074 28.843 28.738 0.050 0.000 0.938 386 Q HN 0.675 nan 8.270 nan 0.000 0.414 387 E N -0.003 120.120 120.200 -0.129 0.000 2.153 387 E HA -0.199 4.348 4.350 0.329 0.000 0.194 387 E C 1.928 178.447 176.600 -0.134 0.000 0.988 387 E CA 1.118 57.372 56.400 -0.243 0.000 0.811 387 E CB -0.298 28.916 29.700 -0.811 0.000 0.746 387 E HN 0.469 nan 8.360 nan 0.000 0.466 388 I N 1.240 121.684 120.570 -0.211 0.000 2.406 388 I HA -0.101 4.266 4.170 0.329 0.000 0.249 388 I C 2.376 178.471 176.117 -0.036 0.000 1.122 388 I CA 0.719 61.890 61.300 -0.214 0.000 1.431 388 I CB -0.767 36.907 38.000 -0.543 0.000 1.087 388 I HN 0.049 nan 8.210 nan 0.000 0.424 389 K N 0.959 121.351 120.400 -0.014 0.000 2.026 389 K HA -0.179 4.338 4.320 0.329 0.000 0.208 389 K C 1.662 178.317 176.600 0.090 0.000 1.048 389 K CA 1.346 57.664 56.287 0.051 0.000 0.929 389 K CB -0.356 32.169 32.500 0.042 0.000 0.713 389 K HN 0.298 nan 8.250 nan 0.000 0.439 390 D N 0.601 121.072 120.400 0.118 0.000 2.104 390 D HA -0.155 4.683 4.640 0.329 0.000 0.194 390 D C 1.817 178.280 176.300 0.273 0.000 0.994 390 D CA 1.514 55.629 54.000 0.191 0.000 0.830 390 D CB -0.194 40.772 40.800 0.278 0.000 0.959 390 D HN 0.172 nan 8.370 nan 0.000 0.452 391 A N 0.821 123.778 122.820 0.229 0.000 1.908 391 A HA -0.140 4.377 4.320 0.329 0.000 0.218 391 A C 2.437 180.158 177.584 0.229 0.000 1.181 391 A CA 1.052 53.227 52.037 0.230 0.000 0.627 391 A CB -0.833 18.244 19.000 0.129 0.000 0.818 391 A HN 0.229 nan 8.150 nan 0.000 0.445 392 L N -0.473 120.860 121.223 0.183 0.000 2.201 392 L HA -0.117 4.420 4.340 0.329 0.000 0.212 392 L C 2.720 179.673 176.870 0.138 0.000 1.105 392 L CA 1.119 56.063 54.840 0.173 0.000 0.775 392 L CB -0.398 41.769 42.059 0.181 0.000 0.913 392 L HN 0.316 nan 8.230 nan 0.000 0.440 393 S N -1.018 114.752 115.700 0.117 0.000 2.368 393 S HA -0.168 4.500 4.470 0.329 0.000 0.224 393 S C 1.878 176.486 174.600 0.013 0.000 1.029 393 S CA 1.146 59.370 58.200 0.039 0.000 0.988 393 S CB -0.296 62.888 63.200 -0.027 0.000 0.838 393 S HN 0.333 nan 8.310 nan 0.000 0.462 394 Y N 1.782 122.128 120.300 0.076 0.000 2.145 394 Y HA -0.086 4.661 4.550 0.328 0.000 0.286 394 Y C 2.173 178.090 175.900 0.028 0.000 1.145 394 Y CA 1.103 59.237 58.100 0.058 0.000 1.148 394 Y CB -0.466 38.025 38.460 0.052 0.000 0.981 394 Y HN 0.150 nan 8.280 nan 0.000 0.507 395 L N -0.591 120.748 121.223 0.193 0.000 2.079 395 L HA -0.259 4.279 4.340 0.329 0.000 0.210 395 L C 2.448 179.352 176.870 0.058 0.000 1.081 395 L CA 1.385 56.286 54.840 0.103 0.000 0.752 395 L CB -0.484 41.632 42.059 0.095 0.000 0.896 395 L HN 0.157 nan 8.230 nan 0.000 0.433 396 R N -0.177 120.359 120.500 0.059 0.000 2.081 396 R HA -0.113 4.424 4.340 0.329 0.000 0.235 396 R C 2.313 178.613 176.300 0.001 0.000 1.131 396 R CA 1.137 57.253 56.100 0.027 0.000 0.960 396 R CB -0.296 30.025 30.300 0.035 0.000 0.856 396 R HN 0.307 nan 8.270 nan 0.000 0.436 397 L N 0.322 121.547 121.223 0.004 0.000 2.093 397 L HA -0.167 4.370 4.340 0.329 0.000 0.208 397 L C 2.314 179.125 176.870 -0.098 0.000 1.085 397 L CA 1.150 55.968 54.840 -0.037 0.000 0.755 397 L CB -0.315 41.738 42.059 -0.010 0.000 0.904 397 L HN 0.219 nan 8.230 nan 0.000 0.435 398 I N -0.225 120.319 120.570 -0.044 0.000 2.264 398 I HA -0.280 4.087 4.170 0.329 0.000 0.248 398 I C 2.628 178.698 176.117 -0.077 0.000 1.111 398 I CA 1.595 62.860 61.300 -0.058 0.000 1.382 398 I CB -0.398 37.596 38.000 -0.011 0.000 1.060 398 I HN 0.214 nan 8.210 nan 0.000 0.418 399 V N -0.328 119.552 119.914 -0.057 0.000 2.548 399 V HA -0.097 4.220 4.120 0.329 0.000 0.249 399 V C 0.771 176.813 176.094 -0.087 0.000 1.055 399 V CA 1.822 64.085 62.300 -0.062 0.000 1.065 399 V CB -0.302 31.495 31.823 -0.044 0.000 0.681 399 V HN 0.489 nan 8.190 nan 0.000 0.462 400 N N -0.815 117.822 118.700 -0.105 0.000 2.697 400 N HA 0.266 5.203 4.740 0.329 0.000 0.271 400 N C 0.615 176.013 175.510 -0.188 0.000 1.149 400 N CA -0.584 52.386 53.050 -0.134 0.000 0.939 400 N CB 1.050 39.493 38.487 -0.073 0.000 1.534 400 N HN 0.117 nan 8.380 nan 0.000 0.556 401 R N 1.698 121.971 120.500 -0.378 0.000 2.193 401 R HA 0.013 4.550 4.340 0.329 0.000 0.229 401 R C 0.377 176.547 176.300 -0.217 0.000 1.110 401 R CA 0.741 56.474 56.100 -0.611 0.000 0.988 401 R CB -0.409 28.930 30.300 -1.600 0.000 0.871 401 R HN 0.559 nan 8.270 nan 0.000 0.458 402 N N 1.437 120.051 118.700 -0.143 0.000 2.521 402 N HA -0.092 4.845 4.740 0.329 0.000 0.188 402 N C 0.057 175.571 175.510 0.007 0.000 1.146 402 N CA 0.337 53.366 53.050 -0.034 0.000 0.893 402 N CB -0.135 38.332 38.487 -0.034 0.000 0.975 402 N HN 0.173 nan 8.380 nan 0.000 0.451 403 D N 1.882 122.297 120.400 0.026 0.000 2.429 403 D HA -0.038 4.799 4.640 0.329 0.000 0.253 403 D C 0.258 176.628 176.300 0.117 0.000 1.294 403 D CA -0.039 53.993 54.000 0.055 0.000 1.063 403 D CB 0.321 41.150 40.800 0.048 0.000 1.096 403 D HN 0.029 nan 8.370 nan 0.000 0.516 404 D N 2.552 122.997 120.400 0.074 0.000 2.182 404 D HA -0.168 4.669 4.640 0.329 0.000 0.201 404 D C 1.810 178.193 176.300 0.138 0.000 0.986 404 D CA 0.974 55.029 54.000 0.092 0.000 0.847 404 D CB 0.092 40.902 40.800 0.017 0.000 0.942 404 D HN 0.536 nan 8.370 nan 0.000 0.467 405 A N 0.905 123.780 122.820 0.091 0.000 1.898 405 A HA 0.011 4.528 4.320 0.329 0.000 0.216 405 A C 2.310 179.949 177.584 0.092 0.000 1.181 405 A CA 2.003 54.089 52.037 0.080 0.000 0.620 405 A CB -0.564 18.465 19.000 0.048 0.000 0.819 405 A HN 0.238 nan 8.150 nan 0.000 0.442 406 A N -1.293 121.586 122.820 0.099 0.000 1.897 406 A HA 0.031 4.548 4.320 0.329 0.000 0.215 406 A C 2.036 179.679 177.584 0.099 0.000 1.181 406 A CA 1.380 53.461 52.037 0.074 0.000 0.620 406 A CB -0.728 18.309 19.000 0.062 0.000 0.821 406 A HN 0.577 nan 8.150 nan 0.000 0.443 407 F N 0.919 120.901 119.950 0.053 0.000 2.065 407 F HA -0.229 4.495 4.527 0.328 0.000 0.298 407 F C 2.471 178.275 175.800 0.007 0.000 1.112 407 F CA 2.348 60.411 58.000 0.106 0.000 1.212 407 F CB -0.036 39.062 39.000 0.162 0.000 0.975 407 F HN 0.228 nan 8.300 nan 0.000 0.476 408 E N 0.088 120.456 120.200 0.280 0.000 2.085 408 E HA -0.267 4.280 4.350 0.329 0.000 0.194 408 E C 2.388 178.984 176.600 -0.007 0.000 0.994 408 E CA 1.223 57.703 56.400 0.133 0.000 0.801 408 E CB -0.487 29.293 29.700 0.134 0.000 0.743 408 E HN 0.439 nan 8.360 nan 0.000 0.453 409 R N 0.761 121.258 120.500 -0.005 0.000 2.096 409 R HA -0.118 4.419 4.340 0.329 0.000 0.235 409 R C 2.099 178.346 176.300 -0.088 0.000 1.127 409 R CA 1.740 57.823 56.100 -0.028 0.000 0.968 409 R CB 0.175 30.474 30.300 -0.001 0.000 0.861 409 R HN 0.181 nan 8.270 nan 0.000 0.440 410 V N -3.154 116.648 119.914 -0.186 0.000 3.432 410 V HA 0.147 4.464 4.120 0.329 0.000 0.298 410 V C 1.516 177.384 176.094 -0.377 0.000 1.464 410 V CA 0.163 62.313 62.300 -0.250 0.000 1.046 410 V CB 0.398 31.927 31.823 -0.490 0.000 0.887 410 V HN 0.069 nan 8.190 nan 0.000 0.441 411 V N 2.086 121.611 119.914 -0.648 0.000 2.453 411 V HA -0.159 4.158 4.120 0.329 0.000 0.252 411 V C 1.528 177.080 176.094 -0.903 0.000 1.068 411 V CA 2.876 64.337 62.300 -1.399 0.000 1.070 411 V CB -0.428 30.604 31.823 -1.319 0.000 0.664 411 V HN 0.789 nan 8.190 nan 0.000 0.461 412 N N -0.318 118.126 118.700 -0.426 0.000 2.517 412 N HA 0.215 5.152 4.740 0.329 0.000 0.285 412 N C -0.979 174.464 175.510 -0.112 0.000 1.528 412 N CA 0.032 52.943 53.050 -0.232 0.000 0.892 412 N CB 0.679 39.056 38.487 -0.184 0.000 1.356 412 N HN 0.359 nan 8.380 nan 0.000 0.495 413 T N 1.884 116.401 114.554 -0.062 0.000 2.965 413 T HA 0.370 4.917 4.350 0.329 0.000 0.306 413 T C -2.849 171.930 174.700 0.132 0.000 0.991 413 T CA -0.975 61.128 62.100 0.005 0.000 1.001 413 T CB 2.323 71.194 68.868 0.004 0.000 0.984 413 T HN 0.069 nan 8.240 nan 0.000 0.446 414 P HA 0.147 nan 4.420 nan 0.000 0.272 414 P C 0.187 177.480 177.300 -0.012 0.000 1.240 414 P CA -0.338 62.749 63.100 -0.022 0.000 0.791 414 P CB 0.145 31.815 31.700 -0.051 0.000 0.978 415 T N -1.095 113.437 114.554 -0.036 0.000 2.933 415 T HA 0.072 4.619 4.350 0.329 0.000 0.306 415 T C 0.724 175.413 174.700 -0.018 0.000 1.045 415 T CA -0.262 61.817 62.100 -0.035 0.000 1.143 415 T CB -0.280 68.567 68.868 -0.035 0.000 1.003 415 T HN 0.640 nan 8.240 nan 0.000 0.540 416 R N 1.364 121.850 120.500 -0.023 0.000 2.569 416 R HA 0.511 5.048 4.340 0.329 0.000 0.429 416 R C 1.133 177.427 176.300 -0.011 0.000 0.994 416 R CA -0.510 55.590 56.100 -0.001 0.000 1.089 416 R CB -0.405 29.918 30.300 0.038 0.000 1.420 416 R HN 1.066 nan 8.270 nan 0.000 0.615 417 G N 1.206 109.993 108.800 -0.021 0.000 2.184 417 G HA2 -0.288 3.869 3.960 0.329 0.000 0.264 417 G HA3 -0.288 3.869 3.960 0.329 0.000 0.264 417 G C 0.202 175.082 174.900 -0.033 0.000 0.975 417 G CA 0.407 45.495 45.100 -0.021 0.000 0.642 417 G HN 0.425 nan 8.290 nan 0.000 0.536 418 I N 2.554 123.089 120.570 -0.058 0.000 2.257 418 I HA 0.446 4.813 4.170 0.329 0.000 0.290 418 I C 1.427 177.502 176.117 -0.069 0.000 1.137 418 I CA -0.114 61.141 61.300 -0.075 0.000 1.255 418 I CB 0.211 38.126 38.000 -0.141 0.000 1.485 418 I HN 0.164 nan 8.210 nan 0.000 0.534 419 G N 2.329 111.103 108.800 -0.043 0.000 2.588 419 G HA2 0.233 4.390 3.960 0.329 0.000 0.278 419 G HA3 0.233 4.390 3.960 0.329 0.000 0.278 419 G C 0.902 175.787 174.900 -0.026 0.000 1.307 419 G CA 0.386 45.466 45.100 -0.033 0.000 1.016 419 G HN 0.585 nan 8.290 nan 0.000 0.503 420 D N -0.192 120.198 120.400 -0.017 0.000 2.116 420 D HA -0.171 4.666 4.640 0.329 0.000 0.193 420 D C 2.402 178.700 176.300 -0.004 0.000 0.998 420 D CA 1.725 55.720 54.000 -0.008 0.000 0.836 420 D CB -0.259 40.539 40.800 -0.003 0.000 0.951 420 D HN 0.280 nan 8.370 nan 0.000 0.449 421 R N 0.265 120.762 120.500 -0.005 0.000 2.097 421 R HA -0.082 4.455 4.340 0.329 0.000 0.236 421 R C 2.743 179.041 176.300 -0.003 0.000 1.135 421 R CA 1.899 57.997 56.100 -0.003 0.000 0.934 421 R CB -1.619 28.678 30.300 -0.004 0.000 0.846 421 R HN 0.536 nan 8.270 nan 0.000 0.431 422 T N 2.527 117.077 114.554 -0.007 0.000 2.665 422 T HA -0.103 4.444 4.350 0.329 0.000 0.268 422 T C 2.107 176.808 174.700 0.001 0.000 1.035 422 T CA 1.312 63.408 62.100 -0.006 0.000 1.151 422 T CB -0.307 68.554 68.868 -0.012 0.000 0.862 422 T HN 0.129 nan 8.240 nan 0.000 0.438 423 L N 0.592 121.816 121.223 0.002 0.000 2.083 423 L HA -0.124 4.413 4.340 0.329 0.000 0.209 423 L C 2.432 179.313 176.870 0.019 0.000 1.083 423 L CA 1.233 56.085 54.840 0.020 0.000 0.752 423 L CB -0.566 41.502 42.059 0.015 0.000 0.899 423 L HN 0.178 nan 8.230 nan 0.000 0.433 424 D N -0.643 119.763 120.400 0.010 0.000 2.178 424 D HA -0.156 4.681 4.640 0.329 0.000 0.201 424 D C 2.217 178.520 176.300 0.005 0.000 0.980 424 D CA 0.876 54.882 54.000 0.009 0.000 0.842 424 D CB 0.053 40.857 40.800 0.007 0.000 0.948 424 D HN 0.027 nan 8.370 nan 0.000 0.472 425 V N -0.163 119.752 119.914 0.002 0.000 2.307 425 V HA -0.199 4.119 4.120 0.329 0.000 0.245 425 V C 2.492 178.582 176.094 -0.006 0.000 1.045 425 V CA 1.017 63.316 62.300 -0.003 0.000 1.024 425 V CB -0.439 31.381 31.823 -0.004 0.000 0.651 425 V HN 0.093 nan 8.190 nan 0.000 0.449 426 V N 0.126 120.038 119.914 -0.002 0.000 2.287 426 V HA -0.302 4.016 4.120 0.329 0.000 0.248 426 V C 2.595 178.675 176.094 -0.022 0.000 1.053 426 V CA 2.224 64.516 62.300 -0.013 0.000 1.027 426 V CB -0.865 30.964 31.823 0.010 0.000 0.646 426 V HN 0.480 nan 8.190 nan 0.000 0.447 427 R N -0.151 120.345 120.500 -0.006 0.000 2.096 427 R HA -0.178 4.359 4.340 0.329 0.000 0.235 427 R C 2.638 178.933 176.300 -0.009 0.000 1.127 427 R CA 1.748 57.844 56.100 -0.006 0.000 0.968 427 R CB -0.641 29.666 30.300 0.012 0.000 0.861 427 R HN 0.706 nan 8.270 nan 0.000 0.440 428 Q N 0.544 120.340 119.800 -0.006 0.000 2.084 428 Q HA -0.130 4.407 4.340 0.329 0.000 0.202 428 Q C 2.094 178.086 176.000 -0.013 0.000 0.978 428 Q CA 2.106 57.904 55.803 -0.007 0.000 0.844 428 Q CB -1.240 27.495 28.738 -0.005 0.000 0.898 428 Q HN 0.424 nan 8.270 nan 0.000 0.426 429 T N 0.404 114.947 114.554 -0.018 0.000 2.867 429 T HA -0.105 4.443 4.350 0.329 0.000 0.268 429 T C 2.276 176.961 174.700 -0.026 0.000 1.057 429 T CA 1.294 63.381 62.100 -0.022 0.000 1.136 429 T CB -0.171 68.681 68.868 -0.026 0.000 0.874 429 T HN 0.592 nan 8.240 nan 0.000 0.466 430 S N 0.964 116.645 115.700 -0.032 0.000 2.368 430 S HA -0.040 4.627 4.470 0.329 0.000 0.224 430 S C 2.126 176.711 174.600 -0.024 0.000 1.029 430 S CA 0.815 58.993 58.200 -0.036 0.000 0.988 430 S CB -0.174 62.997 63.200 -0.050 0.000 0.838 430 S HN 0.254 nan 8.310 nan 0.000 0.462 431 R N 2.195 122.684 120.500 -0.017 0.000 2.070 431 R HA -0.064 4.473 4.340 0.329 0.000 0.233 431 R C 1.476 177.768 176.300 -0.013 0.000 1.137 431 R CA 1.931 58.024 56.100 -0.012 0.000 0.945 431 R CB -0.908 29.387 30.300 -0.008 0.000 0.845 431 R HN 0.292 nan 8.270 nan 0.000 0.430 432 D N -0.225 120.167 120.400 -0.014 0.000 2.149 432 D HA -0.081 4.756 4.640 0.329 0.000 0.201 432 D C 1.637 177.928 176.300 -0.014 0.000 0.972 432 D CA 1.076 55.068 54.000 -0.013 0.000 0.835 432 D CB -0.094 40.699 40.800 -0.012 0.000 0.966 432 D HN 0.298 nan 8.370 nan 0.000 0.476 433 R N 0.310 120.801 120.500 -0.015 0.000 2.310 433 R HA 0.068 4.605 4.340 0.329 0.000 0.202 433 R C 0.017 176.309 176.300 -0.014 0.000 0.933 433 R CA 0.011 56.103 56.100 -0.014 0.000 1.054 433 R CB 0.287 30.579 30.300 -0.014 0.000 0.985 433 R HN 0.016 nan 8.270 nan 0.000 0.489 434 Q N 0.215 120.005 119.800 -0.016 0.000 2.460 434 Q HA -0.176 4.361 4.340 0.329 0.000 0.311 434 Q C -0.859 175.131 176.000 -0.017 0.000 1.396 434 Q CA 1.001 56.794 55.803 -0.017 0.000 0.838 434 Q CB -2.003 26.725 28.738 -0.016 0.000 1.140 434 Q HN 0.381 nan 8.270 nan 0.000 0.415 435 L N -0.770 120.440 121.223 -0.021 0.000 2.303 435 L HA 0.590 5.127 4.340 0.329 0.000 0.256 435 L C 1.012 177.862 176.870 -0.034 0.000 1.034 435 L CA -0.886 53.942 54.840 -0.020 0.000 0.832 435 L CB 1.697 43.747 42.059 -0.015 0.000 1.403 435 L HN 0.200 nan 8.230 nan 0.000 0.419 436 T N -2.057 112.480 114.554 -0.028 0.000 2.868 436 T HA 0.292 4.839 4.350 0.329 0.000 0.292 436 T C 1.292 175.924 174.700 -0.115 0.000 1.028 436 T CA -0.612 61.457 62.100 -0.052 0.000 1.059 436 T CB 0.729 69.588 68.868 -0.016 0.000 0.991 436 T HN 0.475 nan 8.240 nan 0.000 0.531 437 L N 0.290 121.372 121.223 -0.235 0.000 2.043 437 L HA -0.085 4.452 4.340 0.329 0.000 0.212 437 L C 2.554 179.071 176.870 -0.588 0.000 1.075 437 L CA 1.598 56.150 54.840 -0.481 0.000 0.752 437 L CB -0.534 41.047 42.059 -0.797 0.000 0.891 437 L HN 0.783 nan 8.230 nan 0.000 0.432 438 W N 1.265 122.166 121.300 -0.666 0.000 2.418 438 W HA -0.159 4.698 4.660 0.328 0.000 0.292 438 W C 2.295 178.739 176.519 -0.124 0.000 1.213 438 W CA 1.375 58.534 57.345 -0.309 0.000 1.283 438 W CB -0.191 29.230 29.460 -0.064 0.000 1.119 438 W HN 0.274 nan 8.180 nan 0.000 0.542 439 Q N 0.432 120.321 119.800 0.148 0.000 2.002 439 Q HA -0.187 4.350 4.340 0.329 0.000 0.204 439 Q C 2.624 178.614 176.000 -0.016 0.000 0.988 439 Q CA 2.591 58.452 55.803 0.098 0.000 0.843 439 Q CB -0.729 28.047 28.738 0.062 0.000 0.908 439 Q HN 0.197 nan 8.270 nan 0.000 0.420 440 A N 0.239 123.023 122.820 -0.060 0.000 1.927 440 A HA -0.276 4.241 4.320 0.329 0.000 0.220 440 A C 2.352 179.884 177.584 -0.086 0.000 1.185 440 A CA 1.745 53.740 52.037 -0.070 0.000 0.639 440 A CB -1.222 17.729 19.000 -0.082 0.000 0.820 440 A HN 0.575 nan 8.150 nan 0.000 0.451 441 C N -1.727 117.491 119.300 -0.138 0.000 2.413 441 C HA -0.076 4.582 4.460 0.329 0.000 0.276 441 C C 2.774 177.669 174.990 -0.157 0.000 1.236 441 C CA 1.321 60.251 59.018 -0.148 0.000 1.735 441 C CB -1.274 26.346 27.740 -0.199 0.000 2.031 441 C HN 0.660 nan 8.230 nan 0.000 0.474 442 R N 1.175 121.561 120.500 -0.189 0.000 2.096 442 R HA -0.130 4.407 4.340 0.329 0.000 0.240 442 R C 1.979 178.244 176.300 -0.058 0.000 1.139 442 R CA 1.759 57.787 56.100 -0.120 0.000 0.952 442 R CB -0.569 29.708 30.300 -0.039 0.000 0.854 442 R HN 0.648 nan 8.270 nan 0.000 0.436 443 E N -0.431 119.744 120.200 -0.043 0.000 2.028 443 E HA -0.114 4.434 4.350 0.329 0.000 0.190 443 E C 1.971 178.554 176.600 -0.028 0.000 0.984 443 E CA 1.195 57.580 56.400 -0.025 0.000 0.800 443 E CB -0.187 29.503 29.700 -0.018 0.000 0.758 443 E HN 0.234 nan 8.360 nan 0.000 0.448 444 L N 0.952 122.154 121.223 -0.036 0.000 2.263 444 L HA -0.219 4.318 4.340 0.329 0.000 0.216 444 L C 2.228 179.081 176.870 -0.028 0.000 1.111 444 L CA 0.782 55.604 54.840 -0.029 0.000 0.773 444 L CB -0.317 41.723 42.059 -0.031 0.000 0.906 444 L HN 0.203 nan 8.230 nan 0.000 0.439 445 L N -0.791 120.410 121.223 -0.037 0.000 2.202 445 L HA -0.090 4.447 4.340 0.329 0.000 0.205 445 L C 2.155 179.012 176.870 -0.022 0.000 1.083 445 L CA 0.460 55.280 54.840 -0.033 0.000 0.790 445 L CB -0.242 41.787 42.059 -0.049 0.000 0.942 445 L HN 0.395 nan 8.230 nan 0.000 0.452 446 Q N 0.309 120.097 119.800 -0.020 0.000 2.253 446 Q HA 0.014 4.551 4.340 0.329 0.000 0.210 446 Q C 0.210 176.206 176.000 -0.008 0.000 0.907 446 Q CA 0.301 56.098 55.803 -0.010 0.000 0.948 446 Q CB 0.169 28.904 28.738 -0.005 0.000 1.033 446 Q HN 0.519 nan 8.270 nan 0.000 0.471 447 E N -0.184 120.010 120.200 -0.010 0.000 2.753 447 E HA 0.037 4.585 4.350 0.329 0.000 0.218 447 E C -0.767 175.828 176.600 -0.008 0.000 0.956 447 E CA -0.366 56.029 56.400 -0.008 0.000 1.244 447 E CB 1.020 30.715 29.700 -0.009 0.000 1.114 447 E HN 0.091 nan 8.360 nan 0.000 0.530 448 K N -0.118 120.276 120.400 -0.009 0.000 3.003 448 K HA -0.255 4.262 4.320 0.329 0.000 0.257 448 K C 0.812 177.407 176.600 -0.008 0.000 0.958 448 K CA 0.717 56.999 56.287 -0.008 0.000 0.707 448 K CB -2.618 29.879 32.500 -0.005 0.000 1.279 448 K HN 0.500 nan 8.250 nan 0.000 0.479 449 A N -1.123 121.692 122.820 -0.010 0.000 2.169 449 A HA 0.509 5.026 4.320 0.329 0.000 0.212 449 A C 1.227 178.806 177.584 -0.009 0.000 1.153 449 A CA 1.199 53.230 52.037 -0.009 0.000 0.756 449 A CB -0.087 18.907 19.000 -0.011 0.000 0.813 449 A HN 1.168 nan 8.150 nan 0.000 0.471 450 L N -1.853 119.364 121.223 -0.009 0.000 2.334 450 L HA 0.918 5.455 4.340 0.329 0.000 0.270 450 L C 0.788 177.654 176.870 -0.006 0.000 1.018 450 L CA -0.741 54.094 54.840 -0.008 0.000 0.811 450 L CB -0.069 41.984 42.059 -0.010 0.000 1.271 450 L HN 0.741 nan 8.230 nan 0.000 0.443 451 A N 0.610 123.426 122.820 -0.005 0.000 2.455 451 A HA 0.479 4.996 4.320 0.329 0.000 0.244 451 A C 1.719 179.301 177.584 -0.004 0.000 1.099 451 A CA 0.597 52.632 52.037 -0.004 0.000 0.786 451 A CB -0.621 18.376 19.000 -0.004 0.000 1.051 451 A HN 2.376 nan 8.150 nan 0.000 0.508 452 G N -0.207 108.591 108.800 -0.003 0.000 2.511 452 G HA2 -0.223 3.935 3.960 0.329 0.000 0.216 452 G HA3 -0.223 3.935 3.960 0.329 0.000 0.216 452 G C 1.521 176.420 174.900 -0.001 0.000 1.218 452 G CA 1.100 46.199 45.100 -0.002 0.000 0.788 452 G HN 0.792 nan 8.290 nan 0.000 0.560 453 R N 0.759 121.259 120.500 -0.001 0.000 2.091 453 R HA -0.015 4.522 4.340 0.329 0.000 0.238 453 R C 2.989 179.288 176.300 -0.001 0.000 1.136 453 R CA 1.052 57.152 56.100 -0.001 0.000 0.959 453 R CB -0.550 29.749 30.300 -0.002 0.000 0.856 453 R HN 0.366 nan 8.270 nan 0.000 0.437 454 A N 1.867 124.685 122.820 -0.003 0.000 1.836 454 A HA -0.195 4.322 4.320 0.329 0.000 0.215 454 A C 2.480 180.062 177.584 -0.003 0.000 1.214 454 A CA 1.990 54.024 52.037 -0.005 0.000 0.636 454 A CB -1.217 17.780 19.000 -0.006 0.000 0.847 454 A HN 0.391 nan 8.150 nan 0.000 0.451 455 A N -1.054 121.763 122.820 -0.005 0.000 1.971 455 A HA -0.229 4.289 4.320 0.329 0.000 0.222 455 A C 2.503 180.086 177.584 -0.001 0.000 1.182 455 A CA 2.790 54.823 52.037 -0.006 0.000 0.649 455 A CB -1.132 17.863 19.000 -0.009 0.000 0.818 455 A HN 0.736 nan 8.150 nan 0.000 0.458 456 S N -0.859 114.842 115.700 0.002 0.000 2.368 456 S HA 0.015 4.682 4.470 0.329 0.000 0.224 456 S C 2.158 176.768 174.600 0.017 0.000 1.029 456 S CA 1.531 59.736 58.200 0.007 0.000 0.988 456 S CB -0.457 62.746 63.200 0.006 0.000 0.838 456 S HN 0.873 nan 8.310 nan 0.000 0.462 457 A N 1.102 123.931 122.820 0.015 0.000 1.898 457 A HA 0.083 4.601 4.320 0.329 0.000 0.216 457 A C 2.117 179.728 177.584 0.045 0.000 1.181 457 A CA 1.455 53.507 52.037 0.024 0.000 0.620 457 A CB -0.793 18.211 19.000 0.007 0.000 0.819 457 A HN 0.557 nan 8.150 nan 0.000 0.442 458 L N -0.369 120.872 121.223 0.030 0.000 2.093 458 L HA -0.123 4.415 4.340 0.329 0.000 0.208 458 L C 2.431 179.340 176.870 0.064 0.000 1.085 458 L CA 2.569 57.439 54.840 0.049 0.000 0.755 458 L CB -0.668 41.401 42.059 0.017 0.000 0.904 458 L HN 0.510 nan 8.230 nan 0.000 0.435 459 Q N -0.147 119.668 119.800 0.024 0.000 2.079 459 Q HA -0.193 4.344 4.340 0.329 0.000 0.200 459 Q C 2.316 178.332 176.000 0.027 0.000 0.974 459 Q CA 1.802 57.607 55.803 0.002 0.000 0.840 459 Q CB -0.141 28.596 28.738 -0.002 0.000 0.898 459 Q HN 0.460 nan 8.270 nan 0.000 0.430 460 R N -0.850 119.683 120.500 0.054 0.000 2.096 460 R HA -0.110 4.427 4.340 0.329 0.000 0.235 460 R C 2.132 178.489 176.300 0.094 0.000 1.127 460 R CA 1.357 57.495 56.100 0.063 0.000 0.968 460 R CB -0.554 29.785 30.300 0.064 0.000 0.861 460 R HN 0.316 nan 8.270 nan 0.000 0.440 461 F N 1.448 121.394 119.950 -0.007 0.000 2.075 461 F HA -0.185 4.539 4.527 0.329 0.000 0.297 461 F C 2.062 177.896 175.800 0.058 0.000 1.113 461 F CA 1.634 59.640 58.000 0.009 0.000 1.218 461 F CB -0.218 38.750 39.000 -0.054 0.000 0.984 461 F HN -0.123 nan 8.300 nan 0.000 0.472 462 M N -0.110 119.425 119.600 -0.108 0.000 2.213 462 M HA -0.206 4.472 4.480 0.329 0.000 0.263 462 M C 1.972 178.291 176.300 0.032 0.000 1.062 462 M CA 1.805 56.999 55.300 -0.176 0.000 1.105 462 M CB -0.578 31.772 32.600 -0.417 0.000 1.385 462 M HN 0.236 nan 8.290 nan 0.000 0.417 463 E N 0.339 120.538 120.200 -0.002 0.000 2.107 463 E HA -0.159 4.388 4.350 0.329 0.000 0.191 463 E C 1.902 178.507 176.600 0.007 0.000 0.982 463 E CA 0.759 57.175 56.400 0.028 0.000 0.809 463 E CB -0.067 29.645 29.700 0.021 0.000 0.756 463 E HN 0.301 nan 8.360 nan 0.000 0.459 464 L N 1.045 122.246 121.223 -0.037 0.000 2.093 464 L HA -0.147 4.390 4.340 0.329 0.000 0.208 464 L C 1.842 178.680 176.870 -0.052 0.000 1.085 464 L CA 1.405 56.221 54.840 -0.039 0.000 0.755 464 L CB -0.134 41.910 42.059 -0.025 0.000 0.904 464 L HN 0.093 nan 8.230 nan 0.000 0.435 465 I N -0.407 120.095 120.570 -0.113 0.000 2.233 465 I HA -0.186 4.181 4.170 0.329 0.000 0.243 465 I C 2.104 178.217 176.117 -0.006 0.000 1.093 465 I CA 1.072 62.331 61.300 -0.069 0.000 1.380 465 I CB -1.384 36.549 38.000 -0.112 0.000 1.067 465 I HN 0.284 nan 8.210 nan 0.000 0.413 466 D N 1.240 121.675 120.400 0.059 0.000 2.144 466 D HA -0.110 4.727 4.640 0.329 0.000 0.199 466 D C 2.244 178.556 176.300 0.020 0.000 0.984 466 D CA 1.438 55.468 54.000 0.052 0.000 0.834 466 D CB 0.132 41.001 40.800 0.115 0.000 0.955 466 D HN 0.278 nan 8.370 nan 0.000 0.465 467 A N 1.204 124.033 122.820 0.016 0.000 1.835 467 A HA -0.151 4.367 4.320 0.329 0.000 0.215 467 A C 2.441 180.022 177.584 -0.005 0.000 1.199 467 A CA 1.004 53.044 52.037 0.005 0.000 0.615 467 A CB -1.002 17.999 19.000 0.001 0.000 0.838 467 A HN 0.198 nan 8.150 nan 0.000 0.444 468 L N -0.670 120.548 121.223 -0.009 0.000 2.089 468 L HA -0.306 4.231 4.340 0.329 0.000 0.213 468 L C 3.067 179.929 176.870 -0.013 0.000 1.079 468 L CA 1.269 56.101 54.840 -0.012 0.000 0.758 468 L CB -0.634 41.424 42.059 -0.002 0.000 0.891 468 L HN 0.496 nan 8.230 nan 0.000 0.433 469 A N -0.601 122.209 122.820 -0.016 0.000 1.877 469 A HA -0.240 4.278 4.320 0.329 0.000 0.216 469 A C 2.227 179.800 177.584 -0.018 0.000 1.186 469 A CA 1.607 53.630 52.037 -0.023 0.000 0.620 469 A CB -0.417 18.560 19.000 -0.039 0.000 0.822 469 A HN 0.474 nan 8.150 nan 0.000 0.443 470 Q N -0.549 119.244 119.800 -0.012 0.000 2.016 470 Q HA -0.175 4.362 4.340 0.329 0.000 0.200 470 Q C 2.063 178.056 176.000 -0.011 0.000 0.978 470 Q CA 1.574 57.372 55.803 -0.009 0.000 0.833 470 Q CB -0.244 28.493 28.738 -0.002 0.000 0.895 470 Q HN 0.756 nan 8.270 nan 0.000 0.427 471 E N 0.002 120.195 120.200 -0.012 0.000 2.086 471 E HA -0.204 4.343 4.350 0.329 0.000 0.200 471 E C 1.827 178.414 176.600 -0.021 0.000 1.012 471 E CA 1.765 58.156 56.400 -0.016 0.000 0.812 471 E CB -0.139 29.551 29.700 -0.017 0.000 0.743 471 E HN 0.448 nan 8.360 nan 0.000 0.453 472 T N -2.315 112.224 114.554 -0.024 0.000 3.086 472 T HA 0.411 4.958 4.350 0.329 0.000 0.250 472 T C 1.706 176.389 174.700 -0.028 0.000 1.074 472 T CA 0.320 62.401 62.100 -0.031 0.000 0.988 472 T CB 0.484 69.331 68.868 -0.035 0.000 0.988 472 T HN 0.151 nan 8.240 nan 0.000 0.530 473 A N 2.151 124.959 122.820 -0.021 0.000 2.093 473 A HA -0.151 4.367 4.320 0.329 0.000 0.222 473 A C 1.994 179.569 177.584 -0.015 0.000 1.162 473 A CA 1.838 53.865 52.037 -0.017 0.000 0.655 473 A CB -0.390 18.602 19.000 -0.013 0.000 0.805 473 A HN 0.604 nan 8.150 nan 0.000 0.461 474 D N -2.103 118.286 120.400 -0.018 0.000 2.489 474 D HA 0.185 5.022 4.640 0.329 0.000 0.231 474 D C 0.393 176.678 176.300 -0.025 0.000 1.114 474 D CA -0.104 53.887 54.000 -0.015 0.000 0.842 474 D CB -0.054 40.740 40.800 -0.011 0.000 1.133 474 D HN 0.422 nan 8.370 nan 0.000 0.506 475 M N 2.875 122.451 119.600 -0.040 0.000 2.252 475 M HA 0.079 4.756 4.480 0.329 0.000 0.329 475 M C -2.104 174.146 176.300 -0.084 0.000 1.101 475 M CA -0.582 54.677 55.300 -0.069 0.000 1.117 475 M CB 0.001 32.550 32.600 -0.085 0.000 1.563 475 M HN -0.212 nan 8.290 nan 0.000 0.445 476 P HA -0.015 nan 4.420 nan 0.000 0.271 476 P C 0.461 177.655 177.300 -0.176 0.000 1.218 476 P CA -0.413 62.618 63.100 -0.115 0.000 0.780 476 P CB 0.718 32.345 31.700 -0.122 0.000 0.901 477 L N 3.933 125.128 121.223 -0.048 0.000 2.064 477 L HA -0.302 4.236 4.340 0.329 0.000 0.234 477 L C 2.629 179.439 176.870 -0.101 0.000 1.103 477 L CA 2.987 57.799 54.840 -0.047 0.000 0.824 477 L CB -2.009 40.066 42.059 0.027 0.000 0.919 477 L HN 0.690 nan 8.230 nan 0.000 0.447 478 H N -2.956 116.079 119.070 -0.059 0.000 2.421 478 H HA -0.073 4.680 4.556 0.329 0.000 0.298 478 H C 2.065 177.370 175.328 -0.038 0.000 1.087 478 H CA 1.417 57.428 56.048 -0.063 0.000 1.330 478 H CB -1.007 28.734 29.762 -0.035 0.000 1.388 478 H HN 0.271 nan 8.280 nan 0.000 0.526 479 V N 0.473 120.059 119.914 -0.548 0.000 2.591 479 V HA -0.176 4.141 4.120 0.329 0.000 0.249 479 V C 2.511 178.515 176.094 -0.150 0.000 1.053 479 V CA 1.935 64.064 62.300 -0.286 0.000 1.068 479 V CB -0.237 31.393 31.823 -0.321 0.000 0.689 479 V HN 0.676 nan 8.190 nan 0.000 0.462 480 Q N -0.710 118.999 119.800 -0.151 0.000 2.124 480 Q HA -0.201 4.336 4.340 0.329 0.000 0.202 480 Q C 2.057 178.020 176.000 -0.061 0.000 0.977 480 Q CA 2.355 58.105 55.803 -0.088 0.000 0.850 480 Q CB -0.196 28.497 28.738 -0.075 0.000 0.901 480 Q HN 0.642 nan 8.270 nan 0.000 0.429 481 T N 0.652 115.168 114.554 -0.062 0.000 2.777 481 T HA -0.159 4.389 4.350 0.329 0.000 0.266 481 T C 1.192 175.882 174.700 -0.018 0.000 1.040 481 T CA 1.487 63.567 62.100 -0.033 0.000 1.141 481 T CB -0.374 68.467 68.868 -0.045 0.000 0.868 481 T HN 0.484 nan 8.240 nan 0.000 0.444 482 D N 0.656 121.045 120.400 -0.018 0.000 2.097 482 D HA -0.105 4.732 4.640 0.329 0.000 0.195 482 D C 2.453 178.740 176.300 -0.022 0.000 0.989 482 D CA 0.839 54.836 54.000 -0.005 0.000 0.827 482 D CB 0.081 40.885 40.800 0.006 0.000 0.966 482 D HN -0.063 nan 8.370 nan 0.000 0.456 483 R N 0.268 120.746 120.500 -0.036 0.000 2.088 483 R HA -0.103 4.434 4.340 0.329 0.000 0.232 483 R C 2.456 178.722 176.300 -0.056 0.000 1.136 483 R CA 1.011 57.085 56.100 -0.042 0.000 0.926 483 R CB -1.142 29.130 30.300 -0.046 0.000 0.837 483 R HN 0.215 nan 8.270 nan 0.000 0.429 484 V N 1.778 121.657 119.914 -0.058 0.000 2.317 484 V HA -0.286 4.031 4.120 0.329 0.000 0.251 484 V C 2.453 178.461 176.094 -0.143 0.000 1.065 484 V CA 2.005 64.250 62.300 -0.092 0.000 1.049 484 V CB -0.501 31.299 31.823 -0.038 0.000 0.651 484 V HN 0.298 nan 8.190 nan 0.000 0.450 485 I N -0.475 120.048 120.570 -0.077 0.000 2.361 485 I HA -0.271 4.096 4.170 0.329 0.000 0.251 485 I C 2.546 178.621 176.117 -0.070 0.000 1.133 485 I CA 1.888 63.151 61.300 -0.061 0.000 1.413 485 I CB -0.381 37.618 38.000 -0.001 0.000 1.073 485 I HN 0.340 nan 8.210 nan 0.000 0.424 486 K N 0.879 121.241 120.400 -0.062 0.000 2.044 486 K HA -0.133 4.384 4.320 0.329 0.000 0.204 486 K C 1.586 178.140 176.600 -0.077 0.000 1.045 486 K CA 1.351 57.608 56.287 -0.051 0.000 0.951 486 K CB 0.082 32.563 32.500 -0.031 0.000 0.738 486 K HN 0.074 nan 8.250 nan 0.000 0.443 487 D N 0.465 120.810 120.400 -0.092 0.000 2.264 487 D HA -0.106 4.731 4.640 0.329 0.000 0.208 487 D C 1.829 178.039 176.300 -0.149 0.000 0.966 487 D CA 1.221 55.163 54.000 -0.096 0.000 0.864 487 D CB 0.026 40.780 40.800 -0.077 0.000 0.933 487 D HN 0.317 nan 8.370 nan 0.000 0.499 488 S N -1.088 114.446 115.700 -0.276 0.000 2.461 488 S HA 0.123 4.790 4.470 0.329 0.000 0.228 488 S C 1.906 176.357 174.600 -0.248 0.000 1.005 488 S CA 0.969 58.876 58.200 -0.489 0.000 0.942 488 S CB 0.170 62.646 63.200 -1.207 0.000 0.776 488 S HN 0.306 nan 8.310 nan 0.000 0.514 489 G N 1.048 109.755 108.800 -0.154 0.000 2.195 489 G HA2 -0.256 3.902 3.960 0.329 0.000 0.246 489 G HA3 -0.256 3.902 3.960 0.329 0.000 0.246 489 G C 0.675 175.533 174.900 -0.070 0.000 0.984 489 G CA 0.308 45.361 45.100 -0.079 0.000 0.633 489 G HN 0.481 nan 8.290 nan 0.000 0.525 490 L N -0.072 121.103 121.223 -0.081 0.000 2.012 490 L HA -0.068 4.469 4.340 0.329 0.000 0.210 490 L C 2.897 179.823 176.870 0.093 0.000 1.073 490 L CA 2.165 57.004 54.840 -0.001 0.000 0.748 490 L CB -0.466 41.656 42.059 0.104 0.000 0.891 490 L HN 0.393 nan 8.230 nan 0.000 0.431 491 R N -0.295 120.251 120.500 0.076 0.000 2.091 491 R HA -0.175 4.362 4.340 0.329 0.000 0.238 491 R C 2.201 178.547 176.300 0.077 0.000 1.136 491 R CA 2.122 58.282 56.100 0.099 0.000 0.959 491 R CB -0.260 30.065 30.300 0.042 0.000 0.856 491 R HN 0.323 nan 8.270 nan 0.000 0.437 492 T N 1.802 116.368 114.554 0.020 0.000 2.643 492 T HA -0.212 4.335 4.350 0.329 0.000 0.264 492 T C 1.805 176.497 174.700 -0.013 0.000 1.045 492 T CA 1.927 64.028 62.100 0.003 0.000 1.155 492 T CB -0.263 68.595 68.868 -0.017 0.000 0.863 492 T HN 0.489 nan 8.240 nan 0.000 0.420 493 M N -0.304 119.250 119.600 -0.076 0.000 2.213 493 M HA -0.047 4.631 4.480 0.329 0.000 0.263 493 M C 1.964 178.184 176.300 -0.134 0.000 1.062 493 M CA 1.777 56.992 55.300 -0.143 0.000 1.105 493 M CB -0.883 31.565 32.600 -0.253 0.000 1.385 493 M HN 0.199 nan 8.290 nan 0.000 0.417 494 Y N 1.276 121.579 120.300 0.005 0.000 2.263 494 Y HA -0.077 4.671 4.550 0.329 0.000 0.292 494 Y C 2.372 178.273 175.900 0.003 0.000 1.130 494 Y CA 1.229 59.331 58.100 0.004 0.000 1.179 494 Y CB -0.079 38.383 38.460 0.004 0.000 0.998 494 Y HN 0.376 nan 8.280 nan 0.000 0.532 495 E N 0.450 120.742 120.200 0.153 0.000 2.038 495 E HA -0.265 4.283 4.350 0.329 0.000 0.195 495 E C 1.187 177.826 176.600 0.065 0.000 1.000 495 E CA 1.464 57.917 56.400 0.089 0.000 0.803 495 E CB -0.294 29.440 29.700 0.057 0.000 0.750 495 E HN 0.614 nan 8.360 nan 0.000 0.448 496 Q N 0.815 120.643 119.800 0.046 0.000 2.414 496 Q HA 0.112 4.649 4.340 0.329 0.000 0.286 496 Q C 0.957 176.976 176.000 0.031 0.000 0.941 496 Q CA 0.012 55.832 55.803 0.028 0.000 0.951 496 Q CB 0.459 29.203 28.738 0.011 0.000 1.188 496 Q HN 0.125 nan 8.270 nan 0.000 0.418 497 E N 1.618 121.854 120.200 0.061 0.000 2.435 497 E HA -0.006 4.541 4.350 0.329 0.000 0.195 497 E C -0.253 176.376 176.600 0.049 0.000 1.029 497 E CA 0.994 57.435 56.400 0.069 0.000 0.865 497 E CB 0.153 29.941 29.700 0.147 0.000 0.833 497 E HN 0.524 nan 8.360 nan 0.000 0.510 498 K N -0.682 119.741 120.400 0.040 0.000 7.265 498 K HA 0.005 4.522 4.320 0.329 0.000 0.656 498 K C 0.261 176.878 176.600 0.028 0.000 2.578 498 K CA 1.117 57.421 56.287 0.028 0.000 1.945 498 K CB -2.246 30.266 32.500 0.021 0.000 2.193 498 K HN 0.796 nan 8.250 nan 0.000 0.248 499 G N -0.347 108.466 108.800 0.022 0.000 2.685 499 G HA2 0.454 4.612 3.960 0.329 0.000 0.387 499 G HA3 0.454 4.612 3.960 0.329 0.000 0.387 499 G C 0.730 175.641 174.900 0.018 0.000 1.324 499 G CA 1.262 46.373 45.100 0.018 0.000 0.878 499 G HN 2.449 nan 8.290 nan 0.000 0.527 500 E N -0.828 119.380 120.200 0.013 0.000 2.435 500 E HA 0.359 4.906 4.350 0.329 0.000 0.195 500 E C 2.579 179.186 176.600 0.010 0.000 1.029 500 E CA 2.028 58.434 56.400 0.010 0.000 0.865 500 E CB -0.682 29.022 29.700 0.006 0.000 0.833 500 E HN 1.821 nan 8.360 nan 0.000 0.510 501 K N 0.238 120.647 120.400 0.015 0.000 2.057 501 K HA 0.161 4.679 4.320 0.329 0.000 0.206 501 K C 2.701 179.314 176.600 0.021 0.000 1.050 501 K CA 1.334 57.630 56.287 0.016 0.000 0.935 501 K CB -1.229 31.285 32.500 0.025 0.000 0.715 501 K HN 0.496 nan 8.250 nan 0.000 0.439 502 G N -0.100 108.725 108.800 0.041 0.000 2.421 502 G HA2 0.011 4.168 3.960 0.329 0.000 0.217 502 G HA3 0.011 4.168 3.960 0.329 0.000 0.217 502 G C 2.006 176.926 174.900 0.034 0.000 1.143 502 G CA 1.652 46.791 45.100 0.065 0.000 0.784 502 G HN 0.752 nan 8.290 nan 0.000 0.541 503 Q N 0.033 119.845 119.800 0.020 0.000 1.965 503 Q HA -0.128 4.409 4.340 0.329 0.000 0.200 503 Q C 2.644 178.641 176.000 -0.005 0.000 0.981 503 Q CA 2.405 58.214 55.803 0.011 0.000 0.834 503 Q CB -1.627 27.117 28.738 0.010 0.000 0.900 503 Q HN 0.449 nan 8.270 nan 0.000 0.426 504 T N -0.546 114.002 114.554 -0.010 0.000 2.737 504 T HA -0.237 4.311 4.350 0.329 0.000 0.269 504 T C 2.047 176.720 174.700 -0.044 0.000 1.040 504 T CA 1.831 63.920 62.100 -0.018 0.000 1.142 504 T CB -0.259 68.601 68.868 -0.014 0.000 0.861 504 T HN 0.610 nan 8.240 nan 0.000 0.456 505 R N -0.488 119.968 120.500 -0.073 0.000 2.081 505 R HA 0.002 4.539 4.340 0.329 0.000 0.235 505 R C 2.326 178.509 176.300 -0.195 0.000 1.131 505 R CA 1.615 57.611 56.100 -0.175 0.000 0.960 505 R CB -0.504 29.671 30.300 -0.208 0.000 0.856 505 R HN 0.447 nan 8.270 nan 0.000 0.436 506 I N 1.374 121.889 120.570 -0.093 0.000 2.676 506 I HA -0.140 4.227 4.170 0.329 0.000 0.259 506 I C 1.347 177.448 176.117 -0.027 0.000 1.194 506 I CA 1.417 62.689 61.300 -0.046 0.000 1.473 506 I CB -0.023 37.987 38.000 0.016 0.000 1.096 506 I HN 0.233 nan 8.210 nan 0.000 0.443 507 E N -0.091 120.097 120.200 -0.020 0.000 2.072 507 E HA -0.192 4.355 4.350 0.329 0.000 0.190 507 E C 1.846 178.462 176.600 0.027 0.000 0.982 507 E CA 1.364 57.766 56.400 0.003 0.000 0.803 507 E CB -0.339 29.363 29.700 0.002 0.000 0.755 507 E HN 0.611 nan 8.360 nan 0.000 0.453 508 N N 0.718 119.430 118.700 0.020 0.000 2.205 508 N HA -0.133 4.804 4.740 0.329 0.000 0.186 508 N C 1.843 177.405 175.510 0.088 0.000 1.015 508 N CA 0.601 53.715 53.050 0.106 0.000 0.862 508 N CB -0.007 38.461 38.487 -0.033 0.000 0.986 508 N HN 0.065 nan 8.380 nan 0.000 0.429 509 L N 0.896 122.110 121.223 -0.015 0.000 2.141 509 L HA -0.113 4.424 4.340 0.329 0.000 0.209 509 L C 2.059 178.962 176.870 0.055 0.000 1.094 509 L CA 1.071 55.912 54.840 0.001 0.000 0.763 509 L CB -0.241 41.801 42.059 -0.027 0.000 0.908 509 L HN 0.235 nan 8.230 nan 0.000 0.437 510 E N -0.053 120.176 120.200 0.048 0.000 2.072 510 E HA -0.261 4.286 4.350 0.329 0.000 0.191 510 E C 1.973 178.611 176.600 0.063 0.000 0.985 510 E CA 1.000 57.428 56.400 0.047 0.000 0.801 510 E CB -0.007 29.710 29.700 0.029 0.000 0.750 510 E HN 0.439 nan 8.360 nan 0.000 0.452 511 E N 0.743 120.992 120.200 0.083 0.000 2.204 511 E HA -0.190 4.357 4.350 0.329 0.000 0.195 511 E C 2.032 178.698 176.600 0.110 0.000 0.990 511 E CA 0.344 56.773 56.400 0.049 0.000 0.821 511 E CB 0.096 29.790 29.700 -0.010 0.000 0.750 511 E HN 0.086 nan 8.360 nan 0.000 0.477 512 L N -0.061 121.327 121.223 0.275 0.000 2.109 512 L HA -0.102 4.436 4.340 0.329 0.000 0.207 512 L C 2.025 178.990 176.870 0.159 0.000 1.086 512 L CA 1.211 56.249 54.840 0.329 0.000 0.760 512 L CB -0.244 41.979 42.059 0.273 0.000 0.910 512 L HN 0.007 nan 8.230 nan 0.000 0.437 513 V N -0.608 119.365 119.914 0.098 0.000 2.343 513 V HA -0.266 4.051 4.120 0.329 0.000 0.247 513 V C 2.447 178.573 176.094 0.053 0.000 1.051 513 V CA 2.169 64.507 62.300 0.064 0.000 1.036 513 V CB -1.316 30.546 31.823 0.065 0.000 0.654 513 V HN 0.532 nan 8.190 nan 0.000 0.451 514 T N 0.518 115.099 114.554 0.044 0.000 2.746 514 T HA -0.129 4.418 4.350 0.329 0.000 0.267 514 T C 2.127 176.856 174.700 0.048 0.000 1.039 514 T CA 1.563 63.675 62.100 0.019 0.000 1.142 514 T CB -0.445 68.425 68.868 0.004 0.000 0.866 514 T HN 0.569 nan 8.240 nan 0.000 0.444 515 A N 2.034 124.910 122.820 0.093 0.000 1.883 515 A HA -0.177 4.340 4.320 0.329 0.000 0.217 515 A C 2.652 180.365 177.584 0.215 0.000 1.186 515 A CA 2.515 54.686 52.037 0.223 0.000 0.624 515 A CB -1.435 17.802 19.000 0.394 0.000 0.822 515 A HN 0.637 nan 8.150 nan 0.000 0.444 516 T N -2.450 112.060 114.554 -0.074 0.000 2.915 516 T HA -0.139 4.408 4.350 0.329 0.000 0.269 516 T C 1.934 176.640 174.700 0.011 0.000 1.071 516 T CA 1.354 63.230 62.100 -0.373 0.000 1.132 516 T CB -0.287 68.270 68.868 -0.517 0.000 0.878 516 T HN 0.524 nan 8.240 nan 0.000 0.479 517 R N 1.140 121.658 120.500 0.030 0.000 2.062 517 R HA 0.013 4.550 4.340 0.329 0.000 0.229 517 R C 2.404 178.690 176.300 -0.023 0.000 1.128 517 R CA 1.380 57.425 56.100 -0.092 0.000 0.960 517 R CB -0.132 30.047 30.300 -0.202 0.000 0.855 517 R HN 0.527 nan 8.270 nan 0.000 0.432 518 Q N -0.303 119.530 119.800 0.055 0.000 2.403 518 Q HA 0.002 4.539 4.340 0.329 0.000 0.203 518 Q C -0.284 175.812 176.000 0.160 0.000 0.932 518 Q CA -0.386 55.463 55.803 0.076 0.000 0.945 518 Q CB 0.147 28.927 28.738 0.070 0.000 1.045 518 Q HN 0.148 nan 8.270 nan 0.000 0.511 519 F N 3.045 123.048 119.950 0.088 0.000 2.608 519 F HA -0.022 4.702 4.527 0.328 0.000 0.380 519 F C 0.170 176.048 175.800 0.129 0.000 1.083 519 F CA -0.275 57.816 58.000 0.152 0.000 1.266 519 F CB 0.537 39.698 39.000 0.267 0.000 1.076 519 F HN -0.151 nan 8.300 nan 0.000 0.574 520 S N 7.250 122.599 115.700 -0.585 0.000 2.594 520 S HA 0.676 5.343 4.470 0.329 0.000 0.296 520 S C -1.314 172.913 174.600 -0.622 0.000 1.124 520 S CA -0.631 57.270 58.200 -0.498 0.000 1.011 520 S CB 1.310 64.372 63.200 -0.230 0.000 1.016 520 S HN 0.840 nan 8.310 nan 0.000 0.485 521 Y N -0.627 119.328 120.300 -0.575 0.000 2.544 521 Y HA 0.892 5.639 4.550 0.329 0.000 0.342 521 Y C -0.740 175.066 175.900 -0.157 0.000 1.062 521 Y CA -0.542 57.339 58.100 -0.365 0.000 1.023 521 Y CB 0.580 38.833 38.460 -0.345 0.000 1.308 521 Y HN 0.986 nan 8.280 nan 0.000 0.457 522 N N -0.081 118.588 118.700 -0.051 0.000 2.825 522 N HA 0.788 5.726 4.740 0.329 0.000 0.253 522 N C -0.182 175.363 175.510 0.058 0.000 1.426 522 N CA 0.312 53.314 53.050 -0.081 0.000 0.851 522 N CB 0.850 39.269 38.487 -0.114 0.000 1.470 522 N HN 1.977 nan 8.380 nan 0.000 0.517 527 D N -1.651 118.825 120.400 0.126 0.000 2.795 527 D HA 0.796 5.633 4.640 0.329 0.000 0.206 527 D C -0.532 175.823 176.300 0.093 0.000 1.278 527 D CA 0.285 54.364 54.000 0.131 0.000 0.839 527 D CB 0.190 41.051 40.800 0.102 0.000 1.700 527 D HN 2.036 nan 8.370 nan 0.000 0.549 528 L N 1.241 122.537 121.223 0.122 0.000 2.526 528 L HA 0.875 5.413 4.340 0.329 0.000 0.263 528 L C 0.214 177.102 176.870 0.030 0.000 0.943 528 L CA -1.219 53.627 54.840 0.011 0.000 0.859 528 L CB 1.409 43.424 42.059 -0.073 0.000 1.313 528 L HN 0.722 nan 8.230 nan 0.000 0.406 529 M N 2.506 122.109 119.600 0.005 0.000 2.252 529 M HA 0.193 4.870 4.480 0.329 0.000 0.329 529 M C -1.013 175.292 176.300 0.009 0.000 1.101 529 M CA -2.097 53.232 55.300 0.049 0.000 1.117 529 M CB 0.158 32.766 32.600 0.014 0.000 1.563 529 M HN 0.535 nan 8.290 nan 0.000 0.445 530 P HA -0.176 nan 4.420 nan 0.000 0.216 530 P C 1.593 178.936 177.300 0.072 0.000 1.150 530 P CA 0.987 64.213 63.100 0.210 0.000 0.843 530 P CB 0.080 31.965 31.700 0.308 0.000 0.787 531 L N -0.663 120.578 121.223 0.029 0.000 2.005 531 L HA -0.198 4.339 4.340 0.329 0.000 0.207 531 L C 2.231 179.096 176.870 -0.007 0.000 1.072 531 L CA 2.040 56.884 54.840 0.007 0.000 0.744 531 L CB -1.487 40.570 42.059 -0.004 0.000 0.895 531 L HN -0.138 nan 8.230 nan 0.000 0.433 532 Q N -0.351 119.418 119.800 -0.052 0.000 2.020 532 Q HA -0.121 4.416 4.340 0.329 0.000 0.202 532 Q C 2.289 178.229 176.000 -0.100 0.000 0.982 532 Q CA 2.068 57.817 55.803 -0.091 0.000 0.838 532 Q CB -0.784 27.869 28.738 -0.141 0.000 0.899 532 Q HN 0.614 nan 8.270 nan 0.000 0.423 533 A N -0.268 122.466 122.820 -0.143 0.000 1.978 533 A HA -0.194 4.323 4.320 0.329 0.000 0.220 533 A C 1.932 179.448 177.584 -0.113 0.000 1.170 533 A CA 1.377 53.320 52.037 -0.156 0.000 0.636 533 A CB -0.743 17.942 19.000 -0.526 0.000 0.810 533 A HN 0.445 nan 8.150 nan 0.000 0.448 534 F N 0.109 119.800 119.950 -0.431 0.000 2.187 534 F HA 0.032 4.756 4.527 0.329 0.000 0.295 534 F C 1.863 177.449 175.800 -0.356 0.000 1.091 534 F CA 1.232 58.764 58.000 -0.779 0.000 1.308 534 F CB -0.141 38.365 39.000 -0.823 0.000 1.030 534 F HN 0.119 nan 8.300 nan 0.000 0.487 535 L N -0.112 121.034 121.223 -0.127 0.000 2.046 535 L HA -0.214 4.323 4.340 0.329 0.000 0.208 535 L C 2.705 179.439 176.870 -0.226 0.000 1.077 535 L CA 1.533 56.290 54.840 -0.139 0.000 0.747 535 L CB -1.000 41.042 42.059 -0.029 0.000 0.896 535 L HN 0.274 nan 8.230 nan 0.000 0.432 536 S N -1.476 114.111 115.700 -0.188 0.000 2.402 536 S HA -0.257 4.410 4.470 0.329 0.000 0.229 536 S C 2.040 176.464 174.600 -0.295 0.000 1.021 536 S CA 1.086 59.149 58.200 -0.228 0.000 0.974 536 S CB -0.690 62.371 63.200 -0.232 0.000 0.800 536 S HN 0.546 nan 8.310 nan 0.000 0.484 537 H N 2.137 120.977 119.070 -0.383 0.000 2.395 537 H HA 0.175 4.928 4.556 0.329 0.000 0.299 537 H C 2.118 177.105 175.328 -0.568 0.000 1.070 537 H CA 1.468 57.286 56.048 -0.382 0.000 1.356 537 H CB -0.664 28.929 29.762 -0.281 0.000 1.401 537 H HN 0.484 nan 8.280 nan 0.000 0.524 538 A N 0.945 123.227 122.820 -0.897 0.000 2.015 538 A HA 0.047 4.564 4.320 0.329 0.000 0.219 538 A C 2.602 179.786 177.584 -0.667 0.000 1.163 538 A CA 1.450 52.718 52.037 -1.281 0.000 0.646 538 A CB -0.730 17.486 19.000 -1.307 0.000 0.806 538 A HN 0.603 nan 8.150 nan 0.000 0.448 539 A N -0.513 122.071 122.820 -0.394 0.000 1.887 539 A HA 0.230 4.747 4.320 0.329 0.000 0.212 539 A C 2.054 179.619 177.584 -0.031 0.000 1.198 539 A CA 0.983 52.950 52.037 -0.116 0.000 0.628 539 A CB -0.430 18.536 19.000 -0.057 0.000 0.847 539 A HN 0.392 nan 8.150 nan 0.000 0.449 540 L N -0.626 120.498 121.223 -0.166 0.000 2.156 540 L HA -0.046 4.491 4.340 0.329 0.000 0.208 540 L C 0.953 177.637 176.870 -0.309 0.000 1.095 540 L CA 1.039 55.752 54.840 -0.212 0.000 0.770 540 L CB -0.199 41.727 42.059 -0.221 0.000 0.914 540 L HN 0.426 nan 8.230 nan 0.000 0.439 541 E N -0.581 119.381 120.200 -0.397 0.000 3.167 541 E HA 0.228 4.775 4.350 0.329 0.000 0.210 541 E C 1.130 177.535 176.600 -0.324 0.000 1.004 541 E CA 0.016 56.201 56.400 -0.359 0.000 1.256 541 E CB 0.809 30.282 29.700 -0.377 0.000 1.193 541 E HN 0.253 nan 8.360 nan 0.000 0.448 542 A N 0.761 123.440 122.820 -0.234 0.000 1.898 542 A HA -0.058 4.459 4.320 0.329 0.000 0.216 542 A C 2.253 179.881 177.584 0.074 0.000 1.181 542 A CA 1.481 53.487 52.037 -0.053 0.000 0.620 542 A CB -0.844 18.160 19.000 0.006 0.000 0.819 542 A HN 0.438 nan 8.150 nan 0.000 0.442 543 G N -0.619 108.191 108.800 0.017 0.000 2.564 543 G HA2 -0.232 3.926 3.960 0.329 0.000 0.217 543 G HA3 -0.232 3.926 3.960 0.329 0.000 0.217 543 G C 1.319 176.309 174.900 0.151 0.000 1.120 543 G CA 1.115 46.258 45.100 0.072 0.000 0.752 543 G HN 0.710 nan 8.290 nan 0.000 0.558 544 E N -0.304 119.982 120.200 0.142 0.000 2.075 544 E HA 0.293 4.840 4.350 0.329 0.000 0.190 544 E C 1.701 178.435 176.600 0.224 0.000 0.969 544 E CA 0.680 57.217 56.400 0.227 0.000 0.815 544 E CB -0.045 29.750 29.700 0.158 0.000 0.776 544 E HN 0.379 nan 8.360 nan 0.000 0.457 545 G N 1.039 110.013 108.800 0.290 0.000 2.645 545 G HA2 -0.271 3.886 3.960 0.329 0.000 0.239 545 G HA3 -0.271 3.886 3.960 0.329 0.000 0.239 545 G C -0.635 174.392 174.900 0.213 0.000 1.331 545 G CA -0.065 45.223 45.100 0.313 0.000 0.890 545 G HN 0.289 nan 8.290 nan 0.000 0.572 546 Q N -0.010 119.750 119.800 -0.068 0.000 2.330 546 Q HA 0.466 5.003 4.340 0.329 0.000 0.279 546 Q C 0.761 176.746 176.000 -0.025 0.000 1.024 546 Q CA 0.849 56.564 55.803 -0.146 0.000 0.900 546 Q CB 1.010 29.500 28.738 -0.413 0.000 1.221 546 Q HN 1.540 nan 8.270 nan 0.000 0.396 547 A N 3.242 126.087 122.820 0.041 0.000 3.219 547 A HA 0.079 4.596 4.320 0.329 0.000 0.314 547 A C -0.156 177.444 177.584 0.026 0.000 1.081 547 A CA -0.584 51.493 52.037 0.066 0.000 0.995 547 A CB -0.015 19.072 19.000 0.145 0.000 1.067 547 A HN 0.549 nan 8.150 nan 0.000 0.533 548 D N 0.872 121.235 120.400 -0.062 0.000 2.358 548 D HA 0.046 4.883 4.640 0.329 0.000 0.258 548 D C 0.861 177.065 176.300 -0.161 0.000 1.223 548 D CA 0.947 54.867 54.000 -0.133 0.000 0.886 548 D CB 1.089 41.722 40.800 -0.277 0.000 1.120 548 D HN 0.272 nan 8.370 nan 0.000 0.482 549 T N 3.397 117.908 114.554 -0.071 0.000 2.985 549 T HA 0.043 4.590 4.350 0.329 0.000 0.254 549 T C 1.480 176.178 174.700 -0.002 0.000 1.021 549 T CA -0.201 61.891 62.100 -0.014 0.000 0.957 549 T CB -0.187 68.730 68.868 0.082 0.000 1.047 549 T HN 0.648 nan 8.240 nan 0.000 0.511 550 W N 0.598 121.915 121.300 0.027 0.000 2.523 550 W HA 0.297 5.156 4.660 0.331 0.000 0.278 550 W C 0.649 177.183 176.519 0.024 0.000 1.236 550 W CA -0.368 56.992 57.345 0.025 0.000 1.306 550 W CB -0.629 28.842 29.460 0.017 0.000 1.101 550 W HN 0.212 nan 8.180 nan 0.000 0.577 551 Q N 2.584 121.830 119.800 -0.923 0.000 2.311 551 Q HA -0.021 4.516 4.340 0.329 0.000 0.272 551 Q C -0.824 175.021 176.000 -0.260 0.000 1.012 551 Q CA 0.020 55.379 55.803 -0.740 0.000 0.891 551 Q CB 0.668 28.757 28.738 -1.080 0.000 1.201 551 Q HN -0.117 nan 8.270 nan 0.000 0.391 552 D N 1.816 122.165 120.400 -0.085 0.000 2.450 552 D HA 0.346 5.183 4.640 0.329 0.000 0.247 552 D C -1.418 174.862 176.300 -0.034 0.000 1.162 552 D CA 0.503 54.501 54.000 -0.004 0.000 0.879 552 D CB 0.537 41.368 40.800 0.051 0.000 1.163 552 D HN 0.586 nan 8.370 nan 0.000 0.472 553 A N 2.759 125.580 122.820 0.001 0.000 2.604 553 A HA 0.476 4.994 4.320 0.329 0.000 0.295 553 A C -0.995 176.625 177.584 0.062 0.000 1.067 553 A CA -0.830 51.208 52.037 0.001 0.000 0.683 553 A CB 1.002 19.953 19.000 -0.083 0.000 1.281 553 A HN 0.321 nan 8.150 nan 0.000 0.407 554 V N 2.580 122.543 119.914 0.081 0.000 2.655 554 V HA 0.159 4.476 4.120 0.329 0.000 0.300 554 V C -0.018 176.127 176.094 0.084 0.000 1.044 554 V CA -0.028 62.314 62.300 0.070 0.000 1.095 554 V CB 0.921 32.771 31.823 0.045 0.000 0.952 554 V HN 0.782 nan 8.190 nan 0.000 0.485 555 Q N 4.162 123.984 119.800 0.038 0.000 2.303 555 Q HA 0.533 5.071 4.340 0.329 0.000 0.257 555 Q C -1.102 174.902 176.000 0.007 0.000 0.941 555 Q CA -0.534 55.322 55.803 0.088 0.000 0.931 555 Q CB 1.707 30.494 28.738 0.081 0.000 1.215 555 Q HN 0.479 nan 8.270 nan 0.000 0.437 556 L N 4.419 125.698 121.223 0.094 0.000 2.341 556 L HA 0.637 5.175 4.340 0.329 0.000 0.278 556 L C -0.047 176.896 176.870 0.122 0.000 1.005 556 L CA -0.118 54.773 54.840 0.085 0.000 0.818 556 L CB 1.428 43.581 42.059 0.156 0.000 1.259 556 L HN 0.672 nan 8.230 nan 0.000 0.418 557 M N 0.201 119.705 119.600 -0.160 0.000 2.790 557 M HA 0.493 5.171 4.480 0.329 0.000 0.272 557 M C -0.635 175.231 176.300 -0.724 0.000 1.168 557 M CA -0.798 54.390 55.300 -0.188 0.000 0.829 557 M CB 1.777 34.410 32.600 0.056 0.000 1.675 557 M HN 0.439 nan 8.290 nan 0.000 0.505 558 T N -0.564 113.765 114.554 -0.374 0.000 2.748 558 T HA 0.366 4.913 4.350 0.329 0.000 0.304 558 T C 1.038 175.602 174.700 -0.227 0.000 1.041 558 T CA -0.542 61.371 62.100 -0.312 0.000 1.033 558 T CB 0.683 69.569 68.868 0.030 0.000 0.995 558 T HN 0.679 nan 8.240 nan 0.000 0.536 559 L N 0.168 121.272 121.223 -0.198 0.000 2.141 559 L HA -0.046 4.491 4.340 0.329 0.000 0.209 559 L C 2.748 179.545 176.870 -0.121 0.000 1.094 559 L CA 1.397 56.117 54.840 -0.200 0.000 0.763 559 L CB -0.715 41.150 42.059 -0.324 0.000 0.908 559 L HN 0.787 nan 8.230 nan 0.000 0.437 560 H N -1.067 117.960 119.070 -0.071 0.000 2.270 560 H HA -0.117 4.634 4.556 0.324 0.000 0.299 560 H C 2.485 177.860 175.328 0.078 0.000 1.077 560 H CA 1.861 57.920 56.048 0.018 0.000 1.294 560 H CB -0.112 29.708 29.762 0.097 0.000 1.371 560 H HN 0.138 nan 8.280 nan 0.000 0.491 561 S N -0.152 115.661 115.700 0.188 0.000 2.469 561 S HA -0.112 4.555 4.470 0.329 0.000 0.238 561 S C 2.146 176.777 174.600 0.051 0.000 0.998 561 S CA 0.666 58.931 58.200 0.108 0.000 0.957 561 S CB -0.194 63.050 63.200 0.073 0.000 0.764 561 S HN 0.553 nan 8.310 nan 0.000 0.514 562 A N 1.028 123.869 122.820 0.034 0.000 2.123 562 A HA 0.128 4.645 4.320 0.329 0.000 0.214 562 A C 1.046 178.656 177.584 0.044 0.000 1.152 562 A CA 0.212 52.282 52.037 0.055 0.000 0.728 562 A CB -0.198 18.826 19.000 0.041 0.000 0.814 562 A HN 0.387 nan 8.150 nan 0.000 0.464 563 K N 0.014 120.436 120.400 0.036 0.000 2.453 563 K HA 0.262 4.779 4.320 0.329 0.000 0.280 563 K C 1.095 177.714 176.600 0.032 0.000 1.045 563 K CA 0.943 57.249 56.287 0.033 0.000 1.059 563 K CB -0.216 32.326 32.500 0.069 0.000 0.901 563 K HN 0.607 nan 8.250 nan 0.000 0.475 564 G N 3.147 111.947 108.800 0.000 0.000 2.259 564 G HA2 -0.217 3.940 3.960 0.329 0.000 0.217 564 G HA3 -0.217 3.940 3.960 0.329 0.000 0.217 564 G C -0.013 174.846 174.900 -0.068 0.000 1.001 564 G CA -0.081 45.008 45.100 -0.018 0.000 0.627 564 G HN 0.485 nan 8.290 nan 0.000 0.501 565 L N 0.838 122.013 121.223 -0.081 0.000 2.416 565 L HA 0.825 5.362 4.340 0.329 0.000 0.263 565 L C 0.471 177.190 176.870 -0.251 0.000 1.065 565 L CA -0.724 53.993 54.840 -0.206 0.000 0.798 565 L CB 1.345 43.292 42.059 -0.187 0.000 1.267 565 L HN 0.548 nan 8.230 nan 0.000 0.467 566 E N -0.080 119.786 120.200 -0.556 0.000 2.392 566 E HA 0.632 5.179 4.350 0.329 0.000 0.279 566 E C -1.875 174.266 176.600 -0.765 0.000 0.964 566 E CA -0.737 55.422 56.400 -0.402 0.000 0.777 566 E CB 2.078 31.641 29.700 -0.229 0.000 1.249 566 E HN 0.279 nan 8.360 nan 0.000 0.449 567 F N 0.245 120.154 119.950 -0.070 0.000 2.608 567 F HA 0.363 5.090 4.527 0.333 0.000 0.309 567 F C -2.157 173.580 175.800 -0.105 0.000 1.103 567 F CA -2.170 55.786 58.000 -0.074 0.000 0.954 567 F CB 2.113 41.062 39.000 -0.086 0.000 1.267 567 F HN 0.290 nan 8.300 nan 0.000 0.444 568 P HA -0.130 nan 4.420 nan 0.000 0.215 568 P C -0.334 176.841 177.300 -0.209 0.000 1.157 568 P CA 1.593 64.679 63.100 -0.023 0.000 0.868 568 P CB 0.269 32.015 31.700 0.077 0.000 0.788 569 Q N -0.432 119.154 119.800 -0.356 0.000 2.322 569 Q HA 0.433 4.970 4.340 0.329 0.000 0.265 569 Q C -1.040 174.734 176.000 -0.375 0.000 0.985 569 Q CA -0.521 54.975 55.803 -0.512 0.000 0.849 569 Q CB 2.629 30.896 28.738 -0.786 0.000 1.274 569 Q HN -0.122 nan 8.270 nan 0.000 0.449 570 V N 3.567 123.188 119.914 -0.488 0.000 2.588 570 V HA 0.527 4.844 4.120 0.329 0.000 0.304 570 V C -1.064 174.686 176.094 -0.574 0.000 1.042 570 V CA -0.664 61.414 62.300 -0.369 0.000 0.877 570 V CB 1.493 33.206 31.823 -0.182 0.000 0.996 570 V HN 0.569 nan 8.190 nan 0.000 0.425 571 F N 4.702 124.590 119.950 -0.104 0.000 2.477 571 F HA 0.635 5.354 4.527 0.321 0.000 0.335 571 F C 0.000 175.797 175.800 -0.005 0.000 1.130 571 F CA -0.532 57.452 58.000 -0.027 0.000 0.948 571 F CB 1.598 40.583 39.000 -0.026 0.000 1.154 571 F HN 0.216 nan 8.300 nan 0.000 0.439 572 I N 5.172 125.848 120.570 0.178 0.000 2.354 572 I HA 0.371 4.739 4.170 0.329 0.000 0.286 572 I C -0.193 176.057 176.117 0.221 0.000 1.007 572 I CA -0.968 60.425 61.300 0.155 0.000 1.167 572 I CB 1.101 39.179 38.000 0.130 0.000 1.320 572 I HN 0.395 nan 8.210 nan 0.000 0.458 573 V N 2.484 122.530 119.914 0.220 0.000 3.262 573 V HA 0.823 5.140 4.120 0.329 0.000 0.313 573 V C 1.013 177.236 176.094 0.215 0.000 1.070 573 V CA -0.131 62.303 62.300 0.223 0.000 1.049 573 V CB 1.122 33.061 31.823 0.194 0.000 1.157 573 V HN 1.014 nan 8.190 nan 0.000 0.454 574 G N 1.735 110.653 108.800 0.197 0.000 2.295 574 G HA2 -0.180 3.977 3.960 0.329 0.000 0.287 574 G HA3 -0.180 3.977 3.960 0.329 0.000 0.287 574 G C 0.045 175.087 174.900 0.237 0.000 1.055 574 G CA 0.353 45.567 45.100 0.190 0.000 0.922 574 G HN 0.750 nan 8.290 nan 0.000 0.503 575 M N 1.458 121.213 119.600 0.258 0.000 3.436 575 M HA 0.244 4.921 4.480 0.329 0.000 0.240 575 M C 0.631 176.974 176.300 0.072 0.000 1.469 575 M CA 0.448 55.881 55.300 0.223 0.000 1.622 575 M CB -1.037 31.695 32.600 0.220 0.000 1.098 575 M HN 0.659 nan 8.290 nan 0.000 0.568 576 E N -0.152 120.073 120.200 0.042 0.000 2.331 576 E HA 0.418 4.965 4.350 0.329 0.000 0.275 576 E C -0.966 175.523 176.600 -0.186 0.000 0.895 576 E CA -0.959 55.402 56.400 -0.064 0.000 0.753 576 E CB 1.653 31.390 29.700 0.062 0.000 1.216 576 E HN 0.121 nan 8.360 nan 0.000 0.434 577 E N 0.956 121.022 120.200 -0.224 0.000 2.498 577 E HA 0.129 4.676 4.350 0.329 0.000 0.252 577 E C 0.811 177.195 176.600 -0.359 0.000 1.025 577 E CA 1.470 57.717 56.400 -0.255 0.000 0.938 577 E CB 0.870 30.454 29.700 -0.194 0.000 0.947 577 E HN 0.956 nan 8.360 nan 0.000 0.478 578 G N 3.031 111.648 108.800 -0.305 0.000 2.278 578 G HA2 -0.234 3.923 3.960 0.329 0.000 0.210 578 G HA3 -0.234 3.923 3.960 0.329 0.000 0.210 578 G C 0.840 175.572 174.900 -0.279 0.000 1.000 578 G CA 0.197 45.090 45.100 -0.346 0.000 0.635 578 G HN 0.391 nan 8.290 nan 0.000 0.495 579 M N -0.917 118.537 119.600 -0.243 0.000 2.940 579 M HA 0.523 5.200 4.480 0.329 0.000 0.248 579 M C 0.495 176.891 176.300 0.161 0.000 1.379 579 M CA 0.608 55.892 55.300 -0.028 0.000 1.262 579 M CB -0.205 32.403 32.600 0.014 0.000 1.201 579 M HN 0.313 nan 8.290 nan 0.000 0.553 580 F N 3.344 123.270 119.950 -0.040 0.000 2.941 580 F HA 0.398 5.100 4.527 0.292 0.000 0.359 580 F C -2.445 173.355 175.800 0.001 0.000 1.231 580 F CA -2.156 55.878 58.000 0.057 0.000 1.089 580 F CB 1.779 40.857 39.000 0.130 0.000 1.407 580 F HN -0.111 nan 8.300 nan 0.000 0.538 581 P HA -0.010 nan 4.420 nan 0.000 0.267 581 P C -0.389 176.975 177.300 0.108 0.000 1.200 581 P CA 0.180 63.323 63.100 0.071 0.000 0.772 581 P CB 1.174 32.808 31.700 -0.109 0.000 0.855 582 S N 1.248 117.053 115.700 0.174 0.000 2.585 582 S HA 0.007 4.674 4.470 0.329 0.000 0.273 582 S C 1.413 176.021 174.600 0.014 0.000 1.339 582 S CA -0.186 58.063 58.200 0.082 0.000 1.028 582 S CB 0.741 63.984 63.200 0.072 0.000 0.906 582 S HN 0.410 nan 8.310 nan 0.000 0.528 583 Q N 0.869 120.664 119.800 -0.009 0.000 2.096 583 Q HA -0.097 4.440 4.340 0.329 0.000 0.204 583 Q C 1.859 177.847 176.000 -0.020 0.000 0.982 583 Q CA 1.980 57.771 55.803 -0.021 0.000 0.850 583 Q CB -0.414 28.322 28.738 -0.003 0.000 0.901 583 Q HN 0.807 nan 8.270 nan 0.000 0.422 584 M N -0.169 119.419 119.600 -0.020 0.000 2.108 584 M HA -0.134 4.543 4.480 0.329 0.000 0.261 584 M C 2.249 178.538 176.300 -0.017 0.000 1.066 584 M CA 1.977 57.258 55.300 -0.031 0.000 1.107 584 M CB -1.510 31.061 32.600 -0.049 0.000 1.356 584 M HN 0.408 nan 8.290 nan 0.000 0.406 585 S N -0.020 115.681 115.700 0.003 0.000 2.423 585 S HA -0.056 4.611 4.470 0.329 0.000 0.231 585 S C 2.016 176.618 174.600 0.004 0.000 1.014 585 S CA 0.781 58.995 58.200 0.022 0.000 0.965 585 S CB -0.669 62.570 63.200 0.064 0.000 0.785 585 S HN 0.485 nan 8.310 nan 0.000 0.495 586 L N 1.191 122.405 121.223 -0.015 0.000 2.044 586 L HA 0.005 4.542 4.340 0.329 0.000 0.205 586 L C 1.958 178.811 176.870 -0.027 0.000 1.075 586 L CA 1.310 56.131 54.840 -0.032 0.000 0.747 586 L CB -0.687 41.342 42.059 -0.050 0.000 0.903 586 L HN 0.204 nan 8.230 nan 0.000 0.435 587 D N 0.763 121.147 120.400 -0.027 0.000 2.411 587 D HA -0.049 4.788 4.640 0.329 0.000 0.226 587 D C 0.907 177.192 176.300 -0.026 0.000 0.988 587 D CA 0.834 54.817 54.000 -0.029 0.000 0.938 587 D CB -0.106 40.673 40.800 -0.035 0.000 0.883 587 D HN 0.498 nan 8.370 nan 0.000 0.525 588 E N -0.946 119.242 120.200 -0.019 0.000 2.281 588 E HA 0.604 5.151 4.350 0.329 0.000 0.262 588 E C 1.175 177.770 176.600 -0.008 0.000 0.933 588 E CA -0.322 56.071 56.400 -0.012 0.000 0.809 588 E CB 0.550 30.248 29.700 -0.004 0.000 1.242 588 E HN -0.000 nan 8.360 nan 0.000 0.418 589 G N -0.840 107.958 108.800 -0.004 0.000 2.453 589 G HA2 0.336 4.493 3.960 0.329 0.000 0.215 589 G HA3 0.336 4.493 3.960 0.329 0.000 0.215 589 G C 1.008 175.910 174.900 0.003 0.000 1.147 589 G CA 1.162 46.259 45.100 -0.004 0.000 0.802 589 G HN 1.349 nan 8.290 nan 0.000 0.535 590 G N -0.414 108.394 108.800 0.014 0.000 4.552 590 G HA2 0.292 4.449 3.960 0.329 0.000 0.281 590 G HA3 0.292 4.449 3.960 0.329 0.000 0.281 590 G C 0.783 175.706 174.900 0.039 0.000 1.037 590 G CA -0.491 44.623 45.100 0.023 0.000 0.806 590 G HN 0.259 nan 8.290 nan 0.000 0.495 591 R N -0.120 120.408 120.500 0.047 0.000 2.325 591 R HA 0.202 4.740 4.340 0.329 0.000 0.214 591 R C 1.901 178.254 176.300 0.088 0.000 0.961 591 R CA -0.216 55.928 56.100 0.072 0.000 1.086 591 R CB 0.116 30.459 30.300 0.072 0.000 1.037 591 R HN 0.308 nan 8.270 nan 0.000 0.493 592 L N 1.056 122.324 121.223 0.074 0.000 2.109 592 L HA -0.087 4.451 4.340 0.329 0.000 0.207 592 L C 1.773 178.714 176.870 0.118 0.000 1.086 592 L CA 1.780 56.681 54.840 0.100 0.000 0.760 592 L CB -0.059 42.037 42.059 0.061 0.000 0.910 592 L HN 0.127 nan 8.230 nan 0.000 0.437 593 E N -0.558 119.686 120.200 0.073 0.000 2.110 593 E HA -0.287 4.260 4.350 0.329 0.000 0.193 593 E C 1.920 178.544 176.600 0.041 0.000 0.988 593 E CA 1.356 57.784 56.400 0.046 0.000 0.804 593 E CB -0.022 29.693 29.700 0.024 0.000 0.745 593 E HN 0.638 nan 8.360 nan 0.000 0.458 594 E N 0.754 120.996 120.200 0.069 0.000 2.106 594 E HA -0.171 4.376 4.350 0.329 0.000 0.192 594 E C 1.875 178.535 176.600 0.100 0.000 0.984 594 E CA 0.666 57.114 56.400 0.080 0.000 0.806 594 E CB 0.265 30.037 29.700 0.121 0.000 0.750 594 E HN 0.096 nan 8.360 nan 0.000 0.458 595 E N 0.444 120.737 120.200 0.155 0.000 2.106 595 E HA -0.184 4.363 4.350 0.329 0.000 0.192 595 E C 2.073 178.682 176.600 0.014 0.000 0.984 595 E CA 0.672 57.223 56.400 0.252 0.000 0.806 595 E CB -0.191 29.729 29.700 0.366 0.000 0.750 595 E HN 0.236 nan 8.360 nan 0.000 0.458 596 R N 0.913 121.354 120.500 -0.098 0.000 2.092 596 R HA -0.041 4.496 4.340 0.329 0.000 0.231 596 R C 2.301 178.446 176.300 -0.258 0.000 1.119 596 R CA 0.969 56.791 56.100 -0.464 0.000 0.970 596 R CB 0.082 30.282 30.300 -0.167 0.000 0.864 596 R HN 0.003 nan 8.270 nan 0.000 0.440 597 R N 0.044 120.489 120.500 -0.091 0.000 2.115 597 R HA -0.125 4.412 4.340 0.329 0.000 0.230 597 R C 2.221 178.541 176.300 0.033 0.000 1.111 597 R CA 1.077 57.164 56.100 -0.021 0.000 0.976 597 R CB -0.321 29.968 30.300 -0.018 0.000 0.870 597 R HN 0.195 nan 8.270 nan 0.000 0.445 598 L N 0.589 121.815 121.223 0.006 0.000 2.093 598 L HA -0.029 4.508 4.340 0.329 0.000 0.208 598 L C 2.205 179.137 176.870 0.102 0.000 1.085 598 L CA 1.615 56.453 54.840 -0.004 0.000 0.755 598 L CB -0.442 41.618 42.059 0.001 0.000 0.904 598 L HN 0.078 nan 8.230 nan 0.000 0.435 599 A N -1.252 121.637 122.820 0.115 0.000 1.902 599 A HA -0.289 4.229 4.320 0.329 0.000 0.217 599 A C 2.286 179.866 177.584 -0.007 0.000 1.181 599 A CA 1.760 53.817 52.037 0.034 0.000 0.623 599 A CB -1.171 17.379 19.000 -0.750 0.000 0.818 599 A HN 0.623 nan 8.150 nan 0.000 0.443 600 Y N 0.604 120.813 120.300 -0.152 0.000 2.181 600 Y HA -0.174 4.572 4.550 0.326 0.000 0.288 600 Y C 2.262 178.123 175.900 -0.064 0.000 1.146 600 Y CA 1.847 59.885 58.100 -0.103 0.000 1.164 600 Y CB -0.379 38.020 38.460 -0.102 0.000 0.982 600 Y HN 0.059 nan 8.280 nan 0.000 0.515 601 V N 0.265 120.139 119.914 -0.067 0.000 2.295 601 V HA -0.279 4.038 4.120 0.329 0.000 0.246 601 V C 2.639 178.639 176.094 -0.157 0.000 1.049 601 V CA 2.001 64.211 62.300 -0.150 0.000 1.024 601 V CB -1.566 30.209 31.823 -0.080 0.000 0.648 601 V HN 0.633 nan 8.190 nan 0.000 0.447 602 G N -0.262 108.481 108.800 -0.094 0.000 2.459 602 G HA2 -0.234 3.924 3.960 0.329 0.000 0.217 602 G HA3 -0.234 3.924 3.960 0.329 0.000 0.217 602 G C 1.702 176.556 174.900 -0.077 0.000 1.183 602 G CA 1.296 46.355 45.100 -0.069 0.000 0.776 602 G HN 0.366 nan 8.290 nan 0.000 0.552 603 V N 1.768 121.630 119.914 -0.087 0.000 2.332 603 V HA -0.186 4.132 4.120 0.329 0.000 0.248 603 V C 3.153 179.157 176.094 -0.150 0.000 1.055 603 V CA 2.351 64.593 62.300 -0.097 0.000 1.038 603 V CB -0.991 30.784 31.823 -0.081 0.000 0.651 603 V HN 0.669 nan 8.190 nan 0.000 0.450 604 T N -2.463 111.934 114.554 -0.262 0.000 3.215 604 T HA -0.037 4.510 4.350 0.329 0.000 0.254 604 T C 1.664 176.269 174.700 -0.159 0.000 1.149 604 T CA 0.335 62.275 62.100 -0.268 0.000 1.042 604 T CB -0.211 68.370 68.868 -0.478 0.000 0.966 604 T HN 0.222 nan 8.240 nan 0.000 0.534 605 R N 1.564 122.005 120.500 -0.098 0.000 2.210 605 R HA 0.489 5.027 4.340 0.329 0.000 0.203 605 R C 1.160 177.471 176.300 0.018 0.000 1.010 605 R CA 0.190 56.284 56.100 -0.010 0.000 1.008 605 R CB -0.699 29.642 30.300 0.068 0.000 0.923 605 R HN 0.553 nan 8.270 nan 0.000 0.469 606 A N 0.488 123.290 122.820 -0.031 0.000 2.409 606 A HA 0.261 4.778 4.320 0.329 0.000 0.267 606 A C 0.731 178.289 177.584 -0.042 0.000 1.127 606 A CA -0.131 51.881 52.037 -0.042 0.000 0.795 606 A CB 0.206 19.154 19.000 -0.086 0.000 1.061 606 A HN 0.182 nan 8.150 nan 0.000 0.502 607 M N 1.017 120.600 119.600 -0.028 0.000 2.398 607 M HA -0.020 4.657 4.480 0.329 0.000 0.261 607 M C 2.020 178.314 176.300 -0.010 0.000 1.125 607 M CA 1.387 56.678 55.300 -0.016 0.000 1.183 607 M CB -0.058 32.542 32.600 0.000 0.000 1.322 607 M HN 0.876 nan 8.290 nan 0.000 0.467 608 Q N -0.445 119.345 119.800 -0.016 0.000 2.481 608 Q HA 0.130 4.667 4.340 0.329 0.000 0.219 608 Q C 0.221 176.200 176.000 -0.035 0.000 0.920 608 Q CA 0.475 56.279 55.803 0.002 0.000 0.915 608 Q CB 0.765 29.537 28.738 0.057 0.000 1.057 608 Q HN -0.021 nan 8.270 nan 0.000 0.581 609 K N 0.782 121.117 120.400 -0.108 0.000 2.443 609 K HA 0.431 4.949 4.320 0.329 0.000 0.252 609 K C -2.036 174.421 176.600 -0.239 0.000 0.933 609 K CA -0.572 55.624 56.287 -0.152 0.000 0.792 609 K CB 1.680 34.075 32.500 -0.175 0.000 1.185 609 K HN -0.028 nan 8.250 nan 0.000 0.425 610 L N 2.824 123.936 121.223 -0.185 0.000 2.341 610 L HA 0.676 5.213 4.340 0.329 0.000 0.278 610 L C -1.323 175.438 176.870 -0.182 0.000 1.005 610 L CA 0.258 54.977 54.840 -0.201 0.000 0.818 610 L CB 2.253 44.251 42.059 -0.102 0.000 1.259 610 L HN 0.711 nan 8.230 nan 0.000 0.418 611 T N 6.106 120.510 114.554 -0.249 0.000 2.841 611 T HA 0.610 5.157 4.350 0.329 0.000 0.285 611 T C -0.660 174.094 174.700 0.090 0.000 0.991 611 T CA -0.348 61.713 62.100 -0.065 0.000 0.966 611 T CB 1.063 69.873 68.868 -0.097 0.000 0.962 611 T HN 0.462 nan 8.240 nan 0.000 0.438 612 L N 3.543 124.867 121.223 0.169 0.000 2.329 612 L HA 0.765 5.302 4.340 0.329 0.000 0.279 612 L C 0.522 177.558 176.870 0.277 0.000 1.014 612 L CA -0.862 54.106 54.840 0.214 0.000 0.814 612 L CB 1.916 44.085 42.059 0.183 0.000 1.257 612 L HN 0.745 nan 8.230 nan 0.000 0.424 613 T N -0.824 113.905 114.554 0.292 0.000 2.906 613 T HA 0.757 5.304 4.350 0.329 0.000 0.295 613 T C -1.020 173.849 174.700 0.282 0.000 1.061 613 T CA -0.701 61.550 62.100 0.252 0.000 1.000 613 T CB 2.026 71.056 68.868 0.269 0.000 1.103 613 T HN 0.506 nan 8.240 nan 0.000 0.486 614 Y N -0.742 119.564 120.300 0.008 0.000 2.552 614 Y HA 0.829 5.547 4.550 0.279 0.000 0.337 614 Y C -1.041 174.808 175.900 -0.086 0.000 1.094 614 Y CA -1.802 56.291 58.100 -0.012 0.000 1.028 614 Y CB 0.974 39.425 38.460 -0.015 0.000 1.321 614 Y HN 0.997 nan 8.280 nan 0.000 0.456 615 A N 2.375 125.201 122.820 0.010 0.000 2.304 615 A HA 0.473 4.990 4.320 0.329 0.000 0.323 615 A C 0.445 177.949 177.584 -0.134 0.000 1.195 615 A CA -0.701 51.248 52.037 -0.145 0.000 0.826 615 A CB 0.716 19.650 19.000 -0.110 0.000 1.184 615 A HN 0.988 nan 8.150 nan 0.000 0.496 616 E N 0.659 120.702 120.200 -0.262 0.000 2.118 616 E HA -0.099 4.448 4.350 0.329 0.000 0.195 616 E C 0.482 176.797 176.600 -0.474 0.000 0.992 616 E CA 1.647 57.902 56.400 -0.242 0.000 0.804 616 E CB 0.143 29.672 29.700 -0.284 0.000 0.741 616 E HN 0.611 nan 8.360 nan 0.000 0.458 617 T N -0.911 113.275 114.554 -0.614 0.000 2.889 617 T HA 0.461 5.008 4.350 0.329 0.000 0.315 617 T C -1.846 172.566 174.700 -0.480 0.000 1.291 617 T CA -0.949 60.666 62.100 -0.808 0.000 1.028 617 T CB 1.375 69.415 68.868 -1.380 0.000 1.235 617 T HN 0.208 nan 8.240 nan 0.000 0.491 618 R N 1.755 122.010 120.500 -0.407 0.000 2.710 618 R HA 0.647 5.184 4.340 0.329 0.000 0.270 618 R C -1.258 174.908 176.300 -0.223 0.000 1.021 618 R CA -1.252 54.699 56.100 -0.249 0.000 0.889 618 R CB 1.545 31.748 30.300 -0.161 0.000 1.243 618 R HN 0.502 nan 8.270 nan 0.000 0.464 619 R N 2.066 122.469 120.500 -0.161 0.000 2.229 619 R HA 0.453 4.990 4.340 0.329 0.000 0.328 619 R C -1.104 175.098 176.300 -0.163 0.000 1.009 619 R CA -0.435 55.584 56.100 -0.135 0.000 0.864 619 R CB 0.786 31.026 30.300 -0.099 0.000 1.085 619 R HN 0.596 nan 8.270 nan 0.000 0.453 620 L N 5.714 126.844 121.223 -0.155 0.000 2.406 620 L HA 0.374 4.911 4.340 0.329 0.000 0.272 620 L C -0.761 176.010 176.870 -0.164 0.000 0.980 620 L CA -0.946 53.722 54.840 -0.286 0.000 0.831 620 L CB 1.636 43.597 42.059 -0.162 0.000 1.253 620 L HN 0.772 nan 8.230 nan 0.000 0.406 621 Y N 2.332 122.622 120.300 -0.017 0.000 3.234 621 Y HA -0.248 4.497 4.550 0.326 0.000 0.207 621 Y C 1.488 177.381 175.900 -0.013 0.000 1.316 621 Y CA 0.801 58.894 58.100 -0.012 0.000 1.309 621 Y CB -1.798 36.657 38.460 -0.008 0.000 1.408 621 Y HN 1.000 nan 8.280 nan 0.000 0.544 622 G N -0.472 108.346 108.800 0.029 0.000 2.189 622 G HA2 -0.355 3.802 3.960 0.329 0.000 0.267 622 G HA3 -0.355 3.802 3.960 0.329 0.000 0.267 622 G C 0.134 175.047 174.900 0.022 0.000 0.975 622 G CA 0.680 45.794 45.100 0.023 0.000 0.644 622 G HN 0.677 nan 8.290 nan 0.000 0.537 623 K N 0.468 120.884 120.400 0.027 0.000 2.371 623 K HA 0.610 5.127 4.320 0.329 0.000 0.251 623 K C -0.070 176.522 176.600 -0.013 0.000 0.934 623 K CA -0.895 55.404 56.287 0.020 0.000 0.798 623 K CB 1.957 34.483 32.500 0.043 0.000 1.204 623 K HN 0.438 nan 8.250 nan 0.000 0.427 624 E N 1.207 121.402 120.200 -0.008 0.000 2.313 624 E HA 0.300 4.847 4.350 0.329 0.000 0.276 624 E C -0.231 176.351 176.600 -0.029 0.000 1.031 624 E CA -1.013 55.363 56.400 -0.039 0.000 0.857 624 E CB 1.231 30.943 29.700 0.020 0.000 1.040 624 E HN 0.456 nan 8.360 nan 0.000 0.408 625 V N 1.010 120.828 119.914 -0.160 0.000 2.914 625 V HA 0.451 4.769 4.120 0.329 0.000 0.314 625 V C -1.388 174.516 176.094 -0.318 0.000 1.084 625 V CA -1.064 61.132 62.300 -0.174 0.000 0.963 625 V CB 1.197 32.815 31.823 -0.342 0.000 1.025 625 V HN 0.728 nan 8.190 nan 0.000 0.432 626 Y N 2.170 122.334 120.300 -0.227 0.000 2.837 626 Y HA 0.518 5.283 4.550 0.359 0.000 0.356 626 Y C 0.685 176.535 175.900 -0.084 0.000 1.035 626 Y CA -0.417 57.586 58.100 -0.161 0.000 1.165 626 Y CB 0.022 38.419 38.460 -0.105 0.000 1.147 626 Y HN 0.811 nan 8.280 nan 0.000 0.628 627 H N 1.528 120.608 119.070 0.017 0.000 2.929 627 H HA 0.171 4.742 4.556 0.024 0.000 0.358 627 H C 0.303 175.635 175.328 0.006 0.000 1.111 627 H CA -0.437 55.616 56.048 0.008 0.000 1.409 627 H CB 0.818 30.574 29.762 -0.011 0.000 1.373 627 H HN 0.295 nan 8.280 nan 0.000 0.610 628 R N 2.631 123.198 120.500 0.113 0.000 2.615 628 R HA 0.174 4.711 4.340 0.329 0.000 0.270 628 R C -2.387 173.870 176.300 -0.072 0.000 1.081 628 R CA -2.319 53.784 56.100 0.004 0.000 1.154 628 R CB -0.361 29.912 30.300 -0.046 0.000 1.063 628 R HN 0.499 nan 8.270 nan 0.000 0.519 629 P HA -0.002 nan 4.420 nan 0.000 0.271 629 P C -0.192 176.916 177.300 -0.321 0.000 1.218 629 P CA -0.004 62.860 63.100 -0.395 0.000 0.780 629 P CB 0.595 31.941 31.700 -0.590 0.000 0.901 630 S N 2.126 117.633 115.700 -0.323 0.000 2.552 630 S HA -0.039 4.628 4.470 0.329 0.000 0.289 630 S C 1.577 175.947 174.600 -0.385 0.000 1.304 630 S CA -0.283 57.706 58.200 -0.352 0.000 1.063 630 S CB 0.084 63.120 63.200 -0.274 0.000 0.848 630 S HN 0.472 nan 8.310 nan 0.000 0.499 631 R N 4.021 124.213 120.500 -0.514 0.000 2.193 631 R HA -0.082 4.455 4.340 0.329 0.000 0.229 631 R C 1.375 177.501 176.300 -0.290 0.000 1.110 631 R CA 1.677 57.535 56.100 -0.402 0.000 0.988 631 R CB -0.615 29.426 30.300 -0.431 0.000 0.871 631 R HN 0.726 nan 8.270 nan 0.000 0.458 632 F N 1.303 121.134 119.950 -0.198 0.000 2.293 632 F HA -0.017 4.706 4.527 0.327 0.000 0.300 632 F C 2.186 177.918 175.800 -0.113 0.000 1.086 632 F CA 0.373 58.270 58.000 -0.172 0.000 1.375 632 F CB -0.141 38.703 39.000 -0.260 0.000 1.045 632 F HN -0.089 nan 8.300 nan 0.000 0.516 633 I N 0.170 120.752 120.570 0.019 0.000 2.142 633 I HA -0.225 4.142 4.170 0.329 0.000 0.240 633 I C 2.798 178.911 176.117 -0.007 0.000 1.078 633 I CA 1.610 62.908 61.300 -0.003 0.000 1.343 633 I CB -1.066 36.878 38.000 -0.094 0.000 1.046 633 I HN 0.149 nan 8.210 nan 0.000 0.405 634 G N -0.023 108.751 108.800 -0.043 0.000 2.471 634 G HA2 -0.194 3.963 3.960 0.329 0.000 0.219 634 G HA3 -0.194 3.963 3.960 0.329 0.000 0.219 634 G C 1.463 176.363 174.900 -0.000 0.000 1.125 634 G CA 0.357 45.439 45.100 -0.030 0.000 0.775 634 G HN 0.421 nan 8.290 nan 0.000 0.548 635 E N -0.454 119.761 120.200 0.025 0.000 2.347 635 E HA 0.094 4.641 4.350 0.329 0.000 0.196 635 E C 0.622 177.246 176.600 0.041 0.000 1.008 635 E CA -0.261 56.165 56.400 0.044 0.000 0.852 635 E CB 0.001 29.757 29.700 0.093 0.000 0.783 635 E HN 0.377 nan 8.360 nan 0.000 0.505 636 L N 1.729 122.976 121.223 0.041 0.000 2.436 636 L HA 0.235 4.772 4.340 0.329 0.000 0.265 636 L C -2.149 174.739 176.870 0.029 0.000 1.168 636 L CA -2.182 52.680 54.840 0.038 0.000 0.815 636 L CB -0.077 42.007 42.059 0.042 0.000 1.109 636 L HN -0.250 nan 8.230 nan 0.000 0.462 637 P HA 0.076 nan 4.420 nan 0.000 0.271 637 P C 0.114 177.429 177.300 0.025 0.000 1.220 637 P CA -0.183 62.931 63.100 0.024 0.000 0.768 637 P CB 0.605 32.320 31.700 0.025 0.000 0.848 638 E N 2.645 122.858 120.200 0.022 0.000 2.171 638 E HA -0.249 4.298 4.350 0.329 0.000 0.197 638 E C 1.509 178.126 176.600 0.027 0.000 0.997 638 E CA 1.120 57.535 56.400 0.024 0.000 0.810 638 E CB 0.002 29.714 29.700 0.020 0.000 0.738 638 E HN 0.633 nan 8.360 nan 0.000 0.467 639 E N 0.413 120.628 120.200 0.025 0.000 2.409 639 E HA -0.137 4.411 4.350 0.329 0.000 0.198 639 E C 1.623 178.240 176.600 0.028 0.000 1.024 639 E CA 0.727 57.142 56.400 0.025 0.000 0.861 639 E CB -0.287 29.426 29.700 0.022 0.000 0.788 639 E HN 0.273 nan 8.360 nan 0.000 0.521 640 C N 0.968 120.286 119.300 0.029 0.000 2.780 640 C HA 0.300 4.957 4.460 0.329 0.000 0.267 640 C C 0.930 175.940 174.990 0.034 0.000 1.266 640 C CA -0.481 58.554 59.018 0.030 0.000 1.709 640 C CB -0.129 27.628 27.740 0.028 0.000 1.975 640 C HN 0.083 nan 8.230 nan 0.000 0.582 641 V N 1.415 121.352 119.914 0.039 0.000 2.513 641 V HA 0.421 4.738 4.120 0.329 0.000 0.299 641 V C -0.421 175.705 176.094 0.053 0.000 1.035 641 V CA -0.341 61.988 62.300 0.048 0.000 0.889 641 V CB 1.832 33.686 31.823 0.051 0.000 0.988 641 V HN 0.350 nan 8.190 nan 0.000 0.440 642 E N 2.684 122.923 120.200 0.065 0.000 2.255 642 E HA 0.344 4.891 4.350 0.329 0.000 0.256 642 E C -0.611 176.042 176.600 0.089 0.000 0.887 642 E CA -0.566 55.876 56.400 0.070 0.000 0.782 642 E CB 1.529 31.270 29.700 0.068 0.000 1.214 642 E HN 0.821 nan 8.360 nan 0.000 0.417 643 E N 2.812 123.063 120.200 0.085 0.000 2.384 643 E HA 0.087 4.634 4.350 0.329 0.000 0.266 643 E C -0.869 175.796 176.600 0.109 0.000 1.012 643 E CA -0.371 56.087 56.400 0.097 0.000 0.901 643 E CB 0.906 30.654 29.700 0.080 0.000 0.967 643 E HN 0.243 nan 8.360 nan 0.000 0.435 644 V N 6.116 126.113 119.914 0.138 0.000 2.488 644 V HA 0.230 4.547 4.120 0.329 0.000 0.277 644 V C 0.070 176.256 176.094 0.154 0.000 1.046 644 V CA -0.212 62.188 62.300 0.167 0.000 0.986 644 V CB 0.834 32.787 31.823 0.217 0.000 0.989 644 V HN 0.596 nan 8.190 nan 0.000 0.475 645 R N 5.097 125.672 120.500 0.126 0.000 2.337 645 R HA 0.471 5.009 4.340 0.329 0.000 0.319 645 R C -0.663 175.702 176.300 0.108 0.000 0.954 645 R CA -0.737 55.426 56.100 0.106 0.000 0.840 645 R CB 1.258 31.604 30.300 0.077 0.000 1.164 645 R HN 0.623 nan 8.270 nan 0.000 0.472 646 L N 2.629 123.925 121.223 0.122 0.000 2.540 646 L HA 0.039 4.576 4.340 0.329 0.000 0.276 646 L C 1.542 178.457 176.870 0.074 0.000 1.212 646 L CA 0.192 55.095 54.840 0.105 0.000 0.893 646 L CB -0.192 41.936 42.059 0.115 0.000 1.138 646 L HN 0.582 nan 8.230 nan 0.000 0.491 647 R N 3.598 124.136 120.500 0.064 0.000 2.485 647 R HA 0.315 4.853 4.340 0.329 0.000 0.304 647 R C 0.476 176.799 176.300 0.040 0.000 0.934 647 R CA 0.409 56.538 56.100 0.047 0.000 1.102 647 R CB -0.979 29.344 30.300 0.039 0.000 0.906 647 R HN 0.800 nan 8.270 nan 0.000 0.407 648 A N 2.239 125.080 122.820 0.035 0.000 2.498 648 A HA 0.609 5.126 4.320 0.329 0.000 0.239 648 A C 1.072 178.670 177.584 0.022 0.000 1.068 648 A CA 0.945 52.999 52.037 0.028 0.000 0.766 648 A CB -0.182 18.834 19.000 0.026 0.000 1.003 648 A HN 1.717 nan 8.150 nan 0.000 0.497 649 T N -1.106 113.459 114.554 0.018 0.000 2.693 649 T HA 0.943 5.490 4.350 0.329 0.000 0.278 649 T C -0.344 174.362 174.700 0.010 0.000 0.994 649 T CA -0.050 62.058 62.100 0.013 0.000 1.033 649 T CB 0.738 69.613 68.868 0.012 0.000 1.342 649 T HN 2.370 nan 8.240 nan 0.000 0.538 650 V N -0.602 119.316 119.914 0.007 0.000 2.871 650 V HA 0.790 5.107 4.120 0.329 0.000 0.283 650 V C -0.149 175.946 176.094 0.002 0.000 1.422 650 V CA -0.174 62.129 62.300 0.005 0.000 0.943 650 V CB 0.942 32.768 31.823 0.005 0.000 1.125 650 V HN 1.751 nan 8.190 nan 0.000 0.440 651 S N 2.367 118.067 115.700 0.000 0.000 2.767 651 S HA 1.064 5.731 4.470 0.329 0.000 0.300 651 S C 0.758 175.358 174.600 -0.001 0.000 1.123 651 S CA -0.068 58.132 58.200 -0.001 0.000 0.992 651 S CB 0.728 63.926 63.200 -0.004 0.000 1.138 651 S HN 2.485 nan 8.310 nan 0.000 0.550 652 R N 0.131 120.630 120.500 -0.002 0.000 2.537 652 R HA 0.523 5.061 4.340 0.329 0.000 0.281 652 R C -0.972 175.327 176.300 -0.002 0.000 0.988 652 R CA -0.141 55.958 56.100 -0.002 0.000 1.077 652 R CB -1.886 28.413 30.300 -0.002 0.000 0.932 652 R HN 1.175 nan 8.270 nan 0.000 0.409 653 P HA 0.587 nan 4.420 nan 0.000 0.267 653 P C -0.236 177.063 177.300 -0.002 0.000 1.209 653 P CA 0.756 63.855 63.100 -0.001 0.000 0.763 653 P CB 0.705 32.405 31.700 -0.000 0.000 0.816 654 V N 1.501 121.414 119.914 -0.002 0.000 2.304 654 V HA 0.702 5.019 4.120 0.329 0.000 0.278 654 V C 0.711 176.804 176.094 -0.002 0.000 1.018 654 V CA -0.008 62.290 62.300 -0.002 0.000 0.814 654 V CB 0.698 32.519 31.823 -0.004 0.000 1.021 654 V HN 0.951 nan 8.190 nan 0.000 0.440 655 S N 2.100 117.799 115.700 -0.002 0.000 2.671 655 S HA 1.014 5.681 4.470 0.329 0.000 0.272 655 S C 0.395 174.994 174.600 -0.001 0.000 1.174 655 S CA 0.575 58.775 58.200 -0.001 0.000 1.004 655 S CB 0.569 63.768 63.200 -0.001 0.000 1.077 655 S HN 2.621 nan 8.310 nan 0.000 0.553 656 H N 0.000 119.069 119.070 -0.001 0.000 2.539 656 H HA 0.000 4.753 4.556 0.329 0.000 0.296 656 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 656 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 656 H HN 0.000 nan 8.280 nan 0.000 0.496