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 1w91_1_A DATA FIRST_RESID 4 DATA SEQUENCE VNVPSNGREK FKKNWKFCVG TGRLGLALQK EYLDHLKLVQ EKIGFRYIRG DATA SEQUENCE HGLLSDDVGI YREVEIDGEM KPFYNFTYID RIVDSYLALN IRPFIEFGFM DATA SEQUENCE PKALASGDQT VFYWKGNVTP PKDYNKWRDL IVAVVSHFIE RYGIEEVRTW DATA SEQUENCE LFEVWNEPNL VNFWKDANKQ EYFKLYEVTA RAVKSVDPHL QVGGPAICGG DATA SEQUENCE SDEWITDFLH FCAERRVPVD FVSRHAYTSK APHKKTFEYY YQELEPPEDM DATA SEQUENCE LEQFKTVRAL IRQSPFPHLP LHITEYNTSY SPINPVHDTA LNAAYIARIL DATA SEQUENCE SEGGDYVDSF SYWTFSDVFE EMDVPKALFH GGFGLVALHS IPKPTFHAFT DATA SEQUENCE FFNALGDELL YRDGEMIVTR RKDGSIAAVL WNLVMEKGEG LTKEVQLVIP DATA SEQUENCE VSFSAVFIKR QIVNEQYGNA WRVWKQMGRP RFPSRQAVET LRQVAQPHVM DATA SEQUENCE TEQRRATDGV IHLSIVLSKN EVTLIEIEQV RDETSTYVGL DDGEITSYS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.910 176.094 -0.307 0.000 1.182 4 V CA 0.000 62.115 62.300 -0.309 0.000 1.235 4 V CB 0.000 31.566 31.823 -0.428 0.000 1.184 5 N N 3.038 121.567 118.700 -0.284 0.000 2.420 5 N HA 0.364 5.104 4.740 -0.000 0.000 0.249 5 N C -0.276 175.076 175.510 -0.263 0.000 1.033 5 N CA -0.190 52.728 53.050 -0.220 0.000 0.944 5 N CB 2.330 40.741 38.487 -0.127 0.000 1.113 5 N HN 0.475 nan 8.380 nan 0.000 0.502 6 V N 4.993 124.762 119.914 -0.242 0.000 2.405 6 V HA 0.160 4.280 4.120 -0.000 0.000 0.264 6 V C -1.796 174.240 176.094 -0.096 0.000 1.048 6 V CA -1.378 60.811 62.300 -0.184 0.000 0.966 6 V CB 0.445 32.169 31.823 -0.165 0.000 1.015 6 V HN 0.441 nan 8.190 nan 0.000 0.477 7 P HA 0.062 nan 4.420 nan 0.000 0.267 7 P C 0.925 178.208 177.300 -0.029 0.000 1.200 7 P CA 0.063 63.151 63.100 -0.020 0.000 0.772 7 P CB 0.576 32.288 31.700 0.020 0.000 0.855 8 S N 0.563 116.241 115.700 -0.038 0.000 2.489 8 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 8 S C 0.615 175.204 174.600 -0.019 0.000 0.995 8 S CA 0.455 58.629 58.200 -0.043 0.000 0.934 8 S CB -0.428 62.736 63.200 -0.059 0.000 0.771 8 S HN 0.395 nan 8.310 nan 0.000 0.522 9 N N -0.183 118.514 118.700 -0.005 0.000 2.265 9 N HA 0.478 5.218 4.740 -0.000 0.000 0.300 9 N C 0.482 176.005 175.510 0.021 0.000 1.148 9 N CA -0.076 52.979 53.050 0.009 0.000 0.772 9 N CB 1.941 40.432 38.487 0.008 0.000 1.434 9 N HN 0.246 nan 8.380 nan 0.000 0.481 10 G N 0.266 109.083 108.800 0.028 0.000 2.688 10 G HA2 0.017 3.977 3.960 -0.000 0.000 0.214 10 G HA3 0.017 3.977 3.960 -0.000 0.000 0.214 10 G C 0.900 175.821 174.900 0.035 0.000 1.211 10 G CA 1.212 46.334 45.100 0.036 0.000 0.853 10 G HN 0.772 nan 8.290 nan 0.000 0.591 11 R N -0.807 119.714 120.500 0.036 0.000 1.589 11 R HA -0.158 4.182 4.340 -0.000 0.000 0.101 11 R C -0.133 176.191 176.300 0.040 0.000 0.919 11 R CA 1.809 57.929 56.100 0.034 0.000 1.931 11 R CB -1.724 28.593 30.300 0.028 0.000 0.508 11 R HN 0.484 nan 8.270 nan 0.000 0.699 12 E N 2.256 122.484 120.200 0.046 0.000 2.280 12 E HA 0.365 4.715 4.350 -0.000 0.000 0.264 12 E C -0.665 175.984 176.600 0.081 0.000 1.064 12 E CA -0.932 55.503 56.400 0.057 0.000 0.900 12 E CB 0.921 30.655 29.700 0.057 0.000 1.123 12 E HN 0.082 nan 8.360 nan 0.000 0.418 13 K N 1.334 121.789 120.400 0.093 0.000 2.138 13 K HA 0.287 4.607 4.320 -0.000 0.000 0.263 13 K C -0.645 176.071 176.600 0.195 0.000 0.965 13 K CA -0.725 55.637 56.287 0.126 0.000 0.868 13 K CB 0.979 33.534 32.500 0.091 0.000 1.083 13 K HN 0.405 nan 8.250 nan 0.000 0.443 14 F N 3.250 123.253 119.950 0.087 0.000 2.424 14 F HA 0.193 4.720 4.527 -0.000 0.000 0.356 14 F C 0.356 176.263 175.800 0.178 0.000 1.110 14 F CA -0.409 57.663 58.000 0.121 0.000 1.161 14 F CB 0.538 39.609 39.000 0.118 0.000 1.115 14 F HN 0.281 nan 8.300 nan 0.000 0.507 15 K N 5.312 125.503 120.400 -0.348 0.000 2.138 15 K HA 0.140 4.460 4.320 -0.000 0.000 0.251 15 K C 0.589 177.016 176.600 -0.289 0.000 1.015 15 K CA -0.485 55.662 56.287 -0.233 0.000 0.917 15 K CB 0.934 33.376 32.500 -0.097 0.000 1.021 15 K HN 0.658 nan 8.250 nan 0.000 0.485 16 K N 1.210 121.545 120.400 -0.108 0.000 2.458 16 K HA 0.002 4.322 4.320 -0.000 0.000 0.194 16 K C 0.808 177.261 176.600 -0.244 0.000 1.024 16 K CA 0.027 56.215 56.287 -0.165 0.000 1.108 16 K CB 0.065 32.500 32.500 -0.107 0.000 0.846 16 K HN 0.391 nan 8.250 nan 0.000 0.518 17 N N 1.310 119.969 118.700 -0.068 0.000 2.184 17 N HA -0.224 4.516 4.740 -0.000 0.000 0.190 17 N C 1.229 176.689 175.510 -0.084 0.000 1.011 17 N CA 1.231 54.285 53.050 0.007 0.000 0.867 17 N CB -0.293 38.276 38.487 0.136 0.000 0.993 17 N HN 0.529 nan 8.380 nan 0.000 0.433 18 W N 1.970 123.188 121.300 -0.135 0.000 2.525 18 W HA -0.037 4.623 4.660 -0.000 0.000 0.259 18 W C 0.328 176.754 176.519 -0.155 0.000 1.253 18 W CA 0.719 57.794 57.345 -0.449 0.000 1.262 18 W CB -0.432 28.942 29.460 -0.143 0.000 1.122 18 W HN 0.234 nan 8.180 nan 0.000 0.607 19 K N -1.071 118.788 120.400 -0.901 0.000 2.592 19 K HA 0.147 4.467 4.320 -0.000 0.000 0.203 19 K C 1.071 177.610 176.600 -0.101 0.000 1.070 19 K CA -0.550 55.393 56.287 -0.573 0.000 1.062 19 K CB -1.023 30.658 32.500 -1.364 0.000 0.814 19 K HN -0.079 nan 8.250 nan 0.000 0.502 20 F N 1.234 121.086 119.950 -0.164 0.000 2.134 20 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 20 F C 0.545 176.421 175.800 0.127 0.000 1.097 20 F CA 0.592 58.596 58.000 0.006 0.000 1.264 20 F CB 0.317 39.325 39.000 0.014 0.000 1.001 20 F HN 0.278 nan 8.300 nan 0.000 0.479 21 C N 0.014 119.438 119.300 0.207 0.000 2.994 21 C HA 0.742 5.202 4.460 -0.000 0.000 0.305 21 C C -1.014 173.815 174.990 -0.268 0.000 1.251 21 C CA -0.885 58.135 59.018 0.004 0.000 1.478 21 C CB 0.929 28.739 27.740 0.117 0.000 1.922 21 C HN 0.032 nan 8.230 nan 0.000 0.472 22 V N 3.544 123.116 119.914 -0.570 0.000 2.925 22 V HA 0.881 5.001 4.120 -0.000 0.000 0.311 22 V C 0.469 176.305 176.094 -0.431 0.000 1.104 22 V CA 0.571 62.410 62.300 -0.769 0.000 0.954 22 V CB 2.087 32.906 31.823 -1.674 0.000 1.022 22 V HN 1.271 nan 8.190 nan 0.000 0.427 23 G N 2.040 110.663 108.800 -0.296 0.000 2.562 23 G HA2 0.566 4.526 3.960 -0.000 0.000 0.275 23 G HA3 0.566 4.526 3.960 -0.000 0.000 0.275 23 G C -0.337 174.384 174.900 -0.298 0.000 1.196 23 G CA 0.289 45.255 45.100 -0.223 0.000 0.908 23 G HN 1.033 nan 8.290 nan 0.000 0.524 24 T N -1.530 112.808 114.554 -0.360 0.000 2.868 24 T HA 0.625 4.975 4.350 -0.000 0.000 0.306 24 T C 0.635 175.175 174.700 -0.267 0.000 1.224 24 T CA 0.335 62.366 62.100 -0.114 0.000 1.012 24 T CB 1.145 70.150 68.868 0.228 0.000 1.221 24 T HN 0.970 nan 8.240 nan 0.000 0.499 25 G N 1.641 110.438 108.800 -0.006 0.000 2.683 25 G HA2 0.434 4.394 3.960 -0.000 0.000 0.260 25 G HA3 0.434 4.394 3.960 -0.000 0.000 0.260 25 G C 0.129 174.970 174.900 -0.097 0.000 1.238 25 G CA -0.692 44.376 45.100 -0.052 0.000 0.934 25 G HN 1.065 nan 8.290 nan 0.000 0.534 26 R N -0.686 119.654 120.500 -0.266 0.000 2.734 26 R HA 0.124 4.464 4.340 -0.000 0.000 0.266 26 R C 1.010 177.156 176.300 -0.256 0.000 1.044 26 R CA -0.497 55.433 56.100 -0.283 0.000 1.128 26 R CB 0.390 30.242 30.300 -0.746 0.000 1.010 26 R HN 0.371 nan 8.270 nan 0.000 0.461 27 L N 1.996 123.109 121.223 -0.183 0.000 2.131 27 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 27 L C 2.478 179.174 176.870 -0.290 0.000 1.092 27 L CA 1.785 56.523 54.840 -0.171 0.000 0.759 27 L CB -0.875 41.144 42.059 -0.068 0.000 0.903 27 L HN 1.089 nan 8.230 nan 0.000 0.435 28 G N 0.190 108.811 108.800 -0.298 0.000 2.462 28 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 28 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 28 G C 1.586 176.253 174.900 -0.389 0.000 1.121 28 G CA 0.342 45.252 45.100 -0.316 0.000 0.758 28 G HN 0.297 nan 8.290 nan 0.000 0.559 29 L N 0.603 121.581 121.223 -0.408 0.000 2.456 29 L HA 0.045 4.385 4.340 -0.000 0.000 0.224 29 L C 3.118 179.563 176.870 -0.708 0.000 1.148 29 L CA 0.460 55.055 54.840 -0.408 0.000 0.825 29 L CB -0.214 41.689 42.059 -0.259 0.000 0.937 29 L HN 0.287 nan 8.230 nan 0.000 0.450 30 A N 0.093 122.331 122.820 -0.969 0.000 2.172 30 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 30 A C 2.131 179.339 177.584 -0.628 0.000 1.154 30 A CA 0.907 52.170 52.037 -1.290 0.000 0.701 30 A CB -0.463 17.991 19.000 -0.911 0.000 0.789 30 A HN 0.430 nan 8.150 nan 0.000 0.465 31 L N -0.617 120.312 121.223 -0.490 0.000 2.395 31 L HA -0.054 4.286 4.340 -0.000 0.000 0.218 31 L C 0.908 177.631 176.870 -0.244 0.000 1.130 31 L CA 0.179 54.802 54.840 -0.362 0.000 0.826 31 L CB -0.328 41.461 42.059 -0.451 0.000 0.941 31 L HN 0.450 nan 8.230 nan 0.000 0.451 32 Q N 0.565 120.229 119.800 -0.227 0.000 2.332 32 Q HA -0.042 4.298 4.340 -0.000 0.000 0.263 32 Q C 0.872 176.842 176.000 -0.050 0.000 0.979 32 Q CA -0.080 55.649 55.803 -0.123 0.000 0.885 32 Q CB 1.424 30.100 28.738 -0.103 0.000 1.218 32 Q HN -0.009 nan 8.270 nan 0.000 0.405 33 K N 2.556 122.930 120.400 -0.043 0.000 2.063 33 K HA -0.273 4.047 4.320 -0.000 0.000 0.208 33 K C 1.626 178.218 176.600 -0.013 0.000 1.048 33 K CA 1.979 58.257 56.287 -0.015 0.000 0.928 33 K CB 0.082 32.572 32.500 -0.016 0.000 0.713 33 K HN 0.573 nan 8.250 nan 0.000 0.442 34 E N -0.493 119.669 120.200 -0.063 0.000 2.077 34 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 34 E C 1.874 178.292 176.600 -0.303 0.000 0.989 34 E CA 1.548 57.848 56.400 -0.166 0.000 0.800 34 E CB -0.530 29.039 29.700 -0.220 0.000 0.746 34 E HN 0.513 nan 8.360 nan 0.000 0.452 35 Y N 0.459 120.578 120.300 -0.302 0.000 2.128 35 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 35 Y C 1.885 177.791 175.900 0.010 0.000 1.154 35 Y CA 2.025 60.016 58.100 -0.182 0.000 1.149 35 Y CB -0.111 38.308 38.460 -0.069 0.000 0.976 35 Y HN 0.061 nan 8.280 nan 0.000 0.505 36 L N -0.271 121.120 121.223 0.279 0.000 2.093 36 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 36 L C 2.037 178.976 176.870 0.116 0.000 1.085 36 L CA 1.250 56.209 54.840 0.199 0.000 0.755 36 L CB -0.648 41.492 42.059 0.135 0.000 0.904 36 L HN 0.232 nan 8.230 nan 0.000 0.435 37 D N -0.503 119.953 120.400 0.092 0.000 2.116 37 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 37 D C 2.043 178.464 176.300 0.202 0.000 0.998 37 D CA 1.578 55.652 54.000 0.123 0.000 0.836 37 D CB -0.408 40.479 40.800 0.145 0.000 0.951 37 D HN 0.501 nan 8.370 nan 0.000 0.449 38 H N -0.045 119.049 119.070 0.041 0.000 2.357 38 H HA 0.028 4.584 4.556 -0.000 0.000 0.301 38 H C 2.379 177.793 175.328 0.144 0.000 1.082 38 H CA 0.077 56.160 56.048 0.058 0.000 1.342 38 H CB 0.179 29.940 29.762 -0.001 0.000 1.389 38 H HN 0.056 nan 8.280 nan 0.000 0.511 39 L N 1.202 122.557 121.223 0.220 0.000 2.046 39 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 39 L C 2.601 179.450 176.870 -0.036 0.000 1.077 39 L CA 1.308 56.074 54.840 -0.123 0.000 0.747 39 L CB -0.263 41.647 42.059 -0.248 0.000 0.896 39 L HN 0.230 nan 8.230 nan 0.000 0.432 40 K N 0.054 120.472 120.400 0.029 0.000 2.044 40 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 40 K C 2.176 178.810 176.600 0.057 0.000 1.049 40 K CA 1.588 57.895 56.287 0.033 0.000 0.927 40 K CB -0.189 32.338 32.500 0.044 0.000 0.713 40 K HN 0.309 nan 8.250 nan 0.000 0.443 41 L N 0.861 122.139 121.223 0.091 0.000 1.989 41 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 41 L C 2.292 179.292 176.870 0.215 0.000 1.071 41 L CA 1.414 56.327 54.840 0.122 0.000 0.749 41 L CB -0.313 41.783 42.059 0.062 0.000 0.890 41 L HN 0.119 nan 8.230 nan 0.000 0.431 42 V N -0.188 119.865 119.914 0.232 0.000 2.332 42 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 42 V C 2.548 178.679 176.094 0.061 0.000 1.055 42 V CA 1.648 64.088 62.300 0.234 0.000 1.038 42 V CB -0.503 31.466 31.823 0.243 0.000 0.651 42 V HN 0.548 nan 8.190 nan 0.000 0.450 43 Q N -0.613 119.190 119.800 0.005 0.000 2.297 43 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 43 Q C 2.147 178.123 176.000 -0.040 0.000 0.962 43 Q CA 1.016 56.786 55.803 -0.055 0.000 0.879 43 Q CB -0.100 28.587 28.738 -0.084 0.000 0.947 43 Q HN 0.722 nan 8.270 nan 0.000 0.462 44 E N 0.307 120.513 120.200 0.011 0.000 2.047 44 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 44 E C 1.698 178.315 176.600 0.028 0.000 0.987 44 E CA 0.743 57.159 56.400 0.026 0.000 0.799 44 E CB 0.251 29.986 29.700 0.059 0.000 0.752 44 E HN 0.056 nan 8.360 nan 0.000 0.449 45 K N -0.344 120.086 120.400 0.048 0.000 2.352 45 K HA 0.159 4.479 4.320 -0.000 0.000 0.194 45 K C 1.654 178.201 176.600 -0.088 0.000 1.038 45 K CA 0.481 56.786 56.287 0.030 0.000 1.023 45 K CB 0.844 33.430 32.500 0.144 0.000 0.840 45 K HN 0.190 nan 8.250 nan 0.000 0.519 46 I N -1.316 119.151 120.570 -0.171 0.000 3.650 46 I HA 0.127 4.297 4.170 -0.000 0.000 0.261 46 I C 0.465 176.344 176.117 -0.397 0.000 1.154 46 I CA 0.343 61.452 61.300 -0.318 0.000 1.418 46 I CB 0.470 38.149 38.000 -0.536 0.000 1.539 46 I HN 0.108 nan 8.210 nan 0.000 0.449 47 G N 2.555 111.118 108.800 -0.396 0.000 2.545 47 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.279 47 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.279 47 G C -0.225 174.420 174.900 -0.425 0.000 1.131 47 G CA -0.583 44.329 45.100 -0.313 0.000 1.100 47 G HN 0.103 nan 8.290 nan 0.000 0.525 48 F N -0.470 119.311 119.950 -0.282 0.000 2.496 48 F HA 0.362 4.889 4.527 -0.000 0.000 0.344 48 F C 2.087 177.658 175.800 -0.381 0.000 1.155 48 F CA 0.006 57.806 58.000 -0.333 0.000 1.302 48 F CB 0.567 39.363 39.000 -0.340 0.000 1.159 48 F HN 0.189 nan 8.300 nan 0.000 0.595 49 R N 0.626 120.996 120.500 -0.215 0.000 2.140 49 R HA 0.071 4.411 4.340 -0.000 0.000 0.213 49 R C -0.728 175.042 176.300 -0.883 0.000 1.059 49 R CA 0.754 56.550 56.100 -0.507 0.000 1.000 49 R CB 0.073 30.078 30.300 -0.491 0.000 0.910 49 R HN 0.493 nan 8.270 nan 0.000 0.455 50 Y N -0.746 119.270 120.300 -0.474 0.000 2.576 50 Y HA 0.513 5.063 4.550 -0.000 0.000 0.346 50 Y C -0.644 174.974 175.900 -0.469 0.000 1.018 50 Y CA -1.196 56.605 58.100 -0.498 0.000 1.050 50 Y CB 1.988 40.158 38.460 -0.483 0.000 1.280 50 Y HN -0.170 nan 8.280 nan 0.000 0.474 51 I N 2.304 122.650 120.570 -0.374 0.000 2.569 51 I HA 0.530 4.700 4.170 -0.000 0.000 0.290 51 I C -1.427 174.519 176.117 -0.285 0.000 1.088 51 I CA -0.783 60.244 61.300 -0.456 0.000 1.047 51 I CB 1.246 38.784 38.000 -0.769 0.000 1.237 51 I HN 0.580 nan 8.210 nan 0.000 0.421 52 R N 5.766 126.139 120.500 -0.212 0.000 2.476 52 R HA 0.743 5.083 4.340 -0.000 0.000 0.305 52 R C -1.227 175.054 176.300 -0.033 0.000 0.965 52 R CA -0.496 55.523 56.100 -0.135 0.000 0.867 52 R CB 1.796 31.928 30.300 -0.279 0.000 1.176 52 R HN 0.894 nan 8.270 nan 0.000 0.447 53 G N 2.474 111.278 108.800 0.007 0.000 2.695 53 G HA2 0.386 4.346 3.960 -0.000 0.000 0.290 53 G HA3 0.386 4.346 3.960 -0.000 0.000 0.290 53 G C -1.167 173.778 174.900 0.074 0.000 1.410 53 G CA -0.560 44.562 45.100 0.036 0.000 0.844 53 G HN 0.562 nan 8.290 nan 0.000 0.478 54 H N -0.850 118.341 119.070 0.202 0.000 2.597 54 H HA 0.504 5.060 4.556 -0.000 0.000 0.370 54 H C 1.384 176.721 175.328 0.015 0.000 1.281 54 H CA 0.483 56.580 56.048 0.082 0.000 1.422 54 H CB 1.158 31.126 29.762 0.343 0.000 1.524 54 H HN 1.487 nan 8.280 nan 0.000 0.607 55 G N 0.136 109.003 108.800 0.112 0.000 2.141 55 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.231 55 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.231 55 G C 1.052 176.015 174.900 0.104 0.000 0.984 55 G CA 0.430 45.602 45.100 0.119 0.000 0.660 55 G HN 0.562 nan 8.290 nan 0.000 0.525 56 L N 0.126 121.424 121.223 0.125 0.000 2.042 56 L HA 0.160 4.500 4.340 -0.000 0.000 0.210 56 L C 2.276 179.284 176.870 0.231 0.000 1.076 56 L CA 2.600 57.549 54.840 0.182 0.000 0.749 56 L CB -0.222 41.971 42.059 0.223 0.000 0.893 56 L HN 0.424 nan 8.230 nan 0.000 0.432 57 L N -1.359 120.024 121.223 0.267 0.000 2.640 57 L HA 0.204 4.544 4.340 -0.000 0.000 0.230 57 L C 0.931 177.993 176.870 0.319 0.000 1.123 57 L CA -0.375 54.645 54.840 0.299 0.000 0.900 57 L CB -0.187 42.084 42.059 0.353 0.000 1.146 57 L HN 0.041 nan 8.230 nan 0.000 0.484 58 S N -0.198 115.693 115.700 0.317 0.000 2.624 58 S HA 0.058 4.528 4.470 -0.000 0.000 0.263 58 S C 0.732 175.491 174.600 0.265 0.000 1.287 58 S CA -0.559 57.857 58.200 0.359 0.000 0.990 58 S CB 0.995 64.509 63.200 0.522 0.000 0.950 58 S HN 0.181 nan 8.310 nan 0.000 0.561 59 D N 0.974 121.531 120.400 0.261 0.000 2.323 59 D HA -0.082 4.558 4.640 -0.000 0.000 0.209 59 D C 1.474 177.872 176.300 0.164 0.000 0.973 59 D CA 0.530 54.652 54.000 0.204 0.000 0.874 59 D CB -0.150 40.766 40.800 0.193 0.000 0.930 59 D HN 0.650 nan 8.370 nan 0.000 0.521 60 D N 1.024 121.515 120.400 0.151 0.000 2.144 60 D HA -0.118 4.521 4.640 -0.000 0.000 0.200 60 D C 2.050 178.474 176.300 0.207 0.000 0.978 60 D CA 0.540 54.619 54.000 0.132 0.000 0.833 60 D CB -0.528 40.299 40.800 0.045 0.000 0.961 60 D HN 0.059 nan 8.370 nan 0.000 0.470 61 V N 0.645 120.660 119.914 0.168 0.000 2.515 61 V HA 0.007 4.127 4.120 -0.000 0.000 0.250 61 V C 2.131 178.363 176.094 0.229 0.000 1.058 61 V CA 1.583 64.025 62.300 0.236 0.000 1.064 61 V CB -1.102 30.810 31.823 0.150 0.000 0.675 61 V HN 0.619 nan 8.190 nan 0.000 0.461 62 G N -0.541 108.352 108.800 0.155 0.000 2.136 62 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 62 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 62 G C 0.657 175.574 174.900 0.028 0.000 0.989 62 G CA 0.555 45.702 45.100 0.078 0.000 0.682 62 G HN 0.449 nan 8.290 nan 0.000 0.522 63 I N -1.156 119.447 120.570 0.055 0.000 2.127 63 I HA -0.039 4.131 4.170 -0.000 0.000 0.241 63 I C 1.475 177.596 176.117 0.007 0.000 1.075 63 I CA 1.208 62.479 61.300 -0.049 0.000 1.334 63 I CB -0.082 37.924 38.000 0.011 0.000 1.040 63 I HN 0.337 nan 8.210 nan 0.000 0.405 64 Y N 2.832 123.144 120.300 0.021 0.000 2.335 64 Y HA 0.439 4.988 4.550 -0.000 0.000 0.339 64 Y C -0.128 175.789 175.900 0.029 0.000 0.987 64 Y CA -0.712 57.413 58.100 0.043 0.000 1.140 64 Y CB 0.287 38.818 38.460 0.118 0.000 1.173 64 Y HN -0.045 nan 8.280 nan 0.000 0.486 65 R N 4.282 124.470 120.500 -0.519 0.000 2.771 65 R HA 0.359 4.699 4.340 -0.000 0.000 0.274 65 R C -1.296 174.657 176.300 -0.580 0.000 0.987 65 R CA -1.049 54.838 56.100 -0.355 0.000 0.908 65 R CB 2.063 32.292 30.300 -0.120 0.000 1.213 65 R HN 0.779 nan 8.270 nan 0.000 0.468 66 E N 0.804 120.818 120.200 -0.309 0.000 2.158 66 E HA 0.453 4.803 4.350 -0.000 0.000 0.271 66 E C -0.983 175.531 176.600 -0.143 0.000 0.911 66 E CA -0.705 55.560 56.400 -0.225 0.000 0.767 66 E CB 2.535 32.183 29.700 -0.086 0.000 1.120 66 E HN 0.051 nan 8.360 nan 0.000 0.405 67 V N 3.184 123.015 119.914 -0.140 0.000 2.604 67 V HA 0.145 4.265 4.120 -0.000 0.000 0.305 67 V C -0.569 175.468 176.094 -0.096 0.000 1.043 67 V CA -0.683 61.537 62.300 -0.133 0.000 0.888 67 V CB 2.059 33.776 31.823 -0.175 0.000 0.995 67 V HN 0.681 nan 8.190 nan 0.000 0.429 68 E N 4.350 124.499 120.200 -0.085 0.000 1.932 68 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 68 E C -0.332 176.229 176.600 -0.064 0.000 1.159 68 E CA -0.060 56.303 56.400 -0.063 0.000 0.905 68 E CB 0.430 30.098 29.700 -0.054 0.000 1.059 68 E HN 0.579 nan 8.360 nan 0.000 0.400 69 I N 1.450 121.988 120.570 -0.053 0.000 2.388 69 I HA 0.439 4.609 4.170 -0.000 0.000 0.281 69 I C 0.024 176.122 176.117 -0.031 0.000 1.046 69 I CA -0.454 60.819 61.300 -0.045 0.000 1.187 69 I CB 0.811 38.785 38.000 -0.043 0.000 1.351 69 I HN 0.410 nan 8.210 nan 0.000 0.472 70 D N 5.052 125.435 120.400 -0.029 0.000 4.370 70 D HA -0.193 4.447 4.640 -0.000 0.000 0.135 70 D C 0.771 177.060 176.300 -0.020 0.000 0.780 70 D CA 2.173 56.160 54.000 -0.022 0.000 1.097 70 D CB -1.255 39.536 40.800 -0.016 0.000 0.577 70 D HN 0.936 nan 8.370 nan 0.000 0.570 71 G N 0.714 109.505 108.800 -0.015 0.000 4.912 71 G HA2 0.522 4.482 3.960 -0.000 0.000 0.307 71 G HA3 0.522 4.482 3.960 -0.000 0.000 0.307 71 G C -0.806 174.089 174.900 -0.009 0.000 1.381 71 G CA -0.006 45.086 45.100 -0.012 0.000 1.057 71 G HN 0.236 nan 8.290 nan 0.000 0.593 72 E N 0.680 120.872 120.200 -0.012 0.000 2.335 72 E HA 0.219 4.569 4.350 -0.000 0.000 0.280 72 E C -0.771 175.819 176.600 -0.017 0.000 0.918 72 E CA -0.894 55.500 56.400 -0.009 0.000 0.765 72 E CB 1.844 31.540 29.700 -0.006 0.000 1.218 72 E HN 0.028 nan 8.360 nan 0.000 0.425 73 M N 2.672 122.265 119.600 -0.012 0.000 2.146 73 M HA 0.277 4.757 4.480 -0.000 0.000 0.352 73 M C -0.149 176.135 176.300 -0.026 0.000 1.343 73 M CA 0.304 55.591 55.300 -0.022 0.000 1.115 73 M CB -0.074 32.522 32.600 -0.008 0.000 1.657 73 M HN 0.196 nan 8.290 nan 0.000 0.471 74 K N 4.530 124.898 120.400 -0.054 0.000 2.267 74 K HA 0.611 4.931 4.320 -0.000 0.000 0.246 74 K C -2.488 174.025 176.600 -0.145 0.000 0.954 74 K CA -1.663 54.584 56.287 -0.066 0.000 0.824 74 K CB 1.971 34.441 32.500 -0.050 0.000 1.167 74 K HN 0.320 nan 8.250 nan 0.000 0.431 75 P HA 0.118 nan 4.420 nan 0.000 0.271 75 P C -1.039 175.927 177.300 -0.557 0.000 1.216 75 P CA -0.049 62.766 63.100 -0.476 0.000 0.776 75 P CB 0.321 31.786 31.700 -0.393 0.000 0.881 76 F N 3.446 122.894 119.950 -0.835 0.000 2.539 76 F HA 0.444 4.971 4.527 -0.000 0.000 0.318 76 F C -1.390 173.963 175.800 -0.746 0.000 1.135 76 F CA -1.040 56.563 58.000 -0.662 0.000 0.915 76 F CB 1.361 40.126 39.000 -0.391 0.000 1.176 76 F HN 0.185 nan 8.300 nan 0.000 0.440 77 Y N 4.773 124.435 120.300 -1.063 0.000 2.385 77 Y HA 0.299 4.849 4.550 -0.000 0.000 0.341 77 Y C 0.091 175.155 175.900 -1.394 0.000 0.965 77 Y CA -0.782 56.707 58.100 -1.019 0.000 1.180 77 Y CB 0.779 38.764 38.460 -0.793 0.000 1.139 77 Y HN 0.512 nan 8.280 nan 0.000 0.502 78 N N 3.925 122.129 118.700 -0.828 0.000 2.485 78 N HA 0.188 4.928 4.740 -0.000 0.000 0.243 78 N C -0.759 174.413 175.510 -0.563 0.000 0.987 78 N CA -0.425 52.314 53.050 -0.518 0.000 0.940 78 N CB 0.255 38.701 38.487 -0.067 0.000 1.122 78 N HN 0.559 nan 8.380 nan 0.000 0.509 79 F N 1.168 120.999 119.950 -0.199 0.000 2.660 79 F HA 0.140 4.667 4.527 -0.000 0.000 0.302 79 F C 1.961 177.742 175.800 -0.031 0.000 1.103 79 F CA -0.238 57.641 58.000 -0.201 0.000 1.340 79 F CB 0.369 38.986 39.000 -0.638 0.000 1.048 79 F HN 0.352 nan 8.300 nan 0.000 0.551 80 T N -0.616 113.983 114.554 0.074 0.000 2.674 80 T HA -0.225 4.125 4.350 -0.000 0.000 0.265 80 T C 1.610 176.438 174.700 0.213 0.000 1.039 80 T CA 1.633 63.787 62.100 0.089 0.000 1.150 80 T CB -0.329 68.506 68.868 -0.055 0.000 0.864 80 T HN 0.179 nan 8.240 nan 0.000 0.427 81 Y N 1.404 121.744 120.300 0.068 0.000 2.184 81 Y HA 0.059 4.609 4.550 -0.000 0.000 0.290 81 Y C 2.269 178.209 175.900 0.066 0.000 1.129 81 Y CA -0.307 57.817 58.100 0.041 0.000 1.144 81 Y CB -1.088 37.377 38.460 0.008 0.000 0.995 81 Y HN 0.251 nan 8.280 nan 0.000 0.513 82 I N -0.825 119.928 120.570 0.306 0.000 2.676 82 I HA -0.148 4.022 4.170 -0.000 0.000 0.259 82 I C 1.622 177.930 176.117 0.317 0.000 1.194 82 I CA 1.126 62.596 61.300 0.284 0.000 1.473 82 I CB -0.755 37.505 38.000 0.434 0.000 1.096 82 I HN -0.078 nan 8.210 nan 0.000 0.443 83 D N 1.181 121.801 120.400 0.365 0.000 2.117 83 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 83 D C 2.267 178.708 176.300 0.236 0.000 0.987 83 D CA 1.065 55.290 54.000 0.376 0.000 0.829 83 D CB -0.292 40.707 40.800 0.333 0.000 0.961 83 D HN 0.332 nan 8.370 nan 0.000 0.460 84 R N 0.390 120.988 120.500 0.163 0.000 2.073 84 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 84 R C 2.383 178.655 176.300 -0.046 0.000 1.134 84 R CA 0.955 57.095 56.100 0.068 0.000 0.952 84 R CB -0.310 30.026 30.300 0.061 0.000 0.850 84 R HN 0.170 nan 8.270 nan 0.000 0.433 85 I N 0.199 120.698 120.570 -0.118 0.000 2.099 85 I HA -0.289 3.881 4.170 -0.000 0.000 0.239 85 I C 2.312 178.114 176.117 -0.525 0.000 1.066 85 I CA 1.353 62.430 61.300 -0.373 0.000 1.324 85 I CB -0.330 37.441 38.000 -0.381 0.000 1.037 85 I HN 0.059 nan 8.210 nan 0.000 0.401 86 V N 0.694 120.431 119.914 -0.294 0.000 2.427 86 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 86 V C 2.023 178.015 176.094 -0.171 0.000 1.051 86 V CA 1.808 63.916 62.300 -0.320 0.000 1.048 86 V CB -0.788 30.871 31.823 -0.273 0.000 0.666 86 V HN 0.377 nan 8.190 nan 0.000 0.456 87 D N 0.849 121.267 120.400 0.031 0.000 2.116 87 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 87 D C 2.440 178.740 176.300 -0.001 0.000 0.998 87 D CA 2.018 56.072 54.000 0.090 0.000 0.836 87 D CB -0.356 40.525 40.800 0.134 0.000 0.951 87 D HN 0.610 nan 8.370 nan 0.000 0.449 88 S N -0.612 115.045 115.700 -0.071 0.000 2.402 88 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 88 S C 2.048 176.661 174.600 0.021 0.000 1.021 88 S CA 0.491 58.660 58.200 -0.051 0.000 0.974 88 S CB -0.540 62.602 63.200 -0.096 0.000 0.800 88 S HN 0.151 nan 8.310 nan 0.000 0.484 89 Y N 2.213 122.430 120.300 -0.140 0.000 2.114 89 Y HA 0.129 4.679 4.550 -0.000 0.000 0.284 89 Y C 2.433 178.202 175.900 -0.218 0.000 1.143 89 Y CA 0.250 58.221 58.100 -0.215 0.000 1.135 89 Y CB -1.088 37.177 38.460 -0.325 0.000 0.980 89 Y HN 0.231 nan 8.280 nan 0.000 0.499 90 L N -0.756 120.450 121.223 -0.028 0.000 2.079 90 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 90 L C 2.586 179.433 176.870 -0.039 0.000 1.081 90 L CA 1.190 55.986 54.840 -0.074 0.000 0.752 90 L CB -0.982 41.039 42.059 -0.063 0.000 0.896 90 L HN 0.152 nan 8.230 nan 0.000 0.433 91 A N -0.110 122.705 122.820 -0.009 0.000 2.019 91 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 91 A C 1.998 179.570 177.584 -0.020 0.000 1.164 91 A CA 1.244 53.279 52.037 -0.004 0.000 0.644 91 A CB -0.468 18.538 19.000 0.011 0.000 0.805 91 A HN 0.436 nan 8.150 nan 0.000 0.449 92 L N -0.554 120.651 121.223 -0.032 0.000 2.685 92 L HA 0.118 4.458 4.340 -0.000 0.000 0.233 92 L C -0.161 176.644 176.870 -0.108 0.000 1.173 92 L CA -0.279 54.527 54.840 -0.057 0.000 0.961 92 L CB -0.281 41.748 42.059 -0.050 0.000 1.217 92 L HN 0.370 nan 8.230 nan 0.000 0.478 93 N N 0.954 119.585 118.700 -0.116 0.000 2.754 93 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 93 N C -0.388 174.972 175.510 -0.250 0.000 1.093 93 N CA 0.938 53.893 53.050 -0.158 0.000 0.699 93 N CB -1.219 37.190 38.487 -0.131 0.000 1.016 93 N HN 0.401 nan 8.380 nan 0.000 0.552 94 I N -0.237 120.152 120.570 -0.302 0.000 2.730 94 I HA 0.415 4.585 4.170 -0.000 0.000 0.298 94 I C -0.630 175.152 176.117 -0.558 0.000 1.089 94 I CA -0.779 60.244 61.300 -0.462 0.000 1.041 94 I CB 1.504 39.215 38.000 -0.481 0.000 1.235 94 I HN -0.103 nan 8.210 nan 0.000 0.423 95 R N 5.794 125.830 120.500 -0.773 0.000 2.778 95 R HA 0.524 4.864 4.340 -0.000 0.000 0.277 95 R C -2.761 173.047 176.300 -0.821 0.000 0.977 95 R CA -2.072 53.510 56.100 -0.863 0.000 0.950 95 R CB 1.309 31.060 30.300 -0.916 0.000 1.165 95 R HN 0.276 nan 8.270 nan 0.000 0.474 96 P HA 0.076 nan 4.420 nan 0.000 0.271 96 P C -0.859 176.170 177.300 -0.452 0.000 1.220 96 P CA 0.118 62.773 63.100 -0.742 0.000 0.768 96 P CB 0.151 31.219 31.700 -1.053 0.000 0.848 97 F N 4.840 124.567 119.950 -0.371 0.000 2.329 97 F HA 0.281 4.808 4.527 0.000 0.000 0.362 97 F C 0.265 175.891 175.800 -0.290 0.000 1.113 97 F CA -1.163 56.648 58.000 -0.315 0.000 1.212 97 F CB 0.215 39.055 39.000 -0.267 0.000 1.509 97 F HN 0.103 nan 8.300 nan 0.000 0.546 98 I N 4.297 124.773 120.570 -0.157 0.000 2.683 98 I HA -0.010 4.160 4.170 -0.000 0.000 0.286 98 I C 0.287 176.395 176.117 -0.014 0.000 1.175 98 I CA 0.594 61.789 61.300 -0.175 0.000 1.429 98 I CB 0.674 38.449 38.000 -0.374 0.000 1.371 98 I HN 0.605 nan 8.210 nan 0.000 0.569 99 E N 7.198 127.386 120.200 -0.020 0.000 2.191 99 E HA 0.304 4.654 4.350 -0.000 0.000 0.263 99 E C -1.443 175.194 176.600 0.062 0.000 0.881 99 E CA -0.614 55.827 56.400 0.068 0.000 0.757 99 E CB 1.076 30.843 29.700 0.111 0.000 1.147 99 E HN 0.319 nan 8.360 nan 0.000 0.414 100 F N 3.421 123.588 119.950 0.361 0.000 2.439 100 F HA 0.474 5.001 4.527 -0.000 0.000 0.356 100 F C 1.050 177.109 175.800 0.432 0.000 1.161 100 F CA 0.359 58.598 58.000 0.398 0.000 1.151 100 F CB 1.176 40.464 39.000 0.480 0.000 1.222 100 F HN 0.594 nan 8.300 nan 0.000 0.558 101 G N 2.254 111.299 108.800 0.409 0.000 2.313 101 G HA2 0.264 4.224 3.960 -0.000 0.000 0.296 101 G HA3 0.264 4.224 3.960 -0.000 0.000 0.296 101 G C -1.191 173.681 174.900 -0.047 0.000 1.356 101 G CA -0.994 44.166 45.100 0.099 0.000 0.833 101 G HN 0.201 nan 8.290 nan 0.000 0.552 102 F N -0.306 119.759 119.950 0.192 0.000 2.220 102 F HA 0.745 5.272 4.527 -0.000 0.000 0.203 102 F C 1.149 177.212 175.800 0.438 0.000 0.733 102 F CA -0.184 57.799 58.000 -0.028 0.000 1.109 102 F CB 0.247 39.225 39.000 -0.037 0.000 2.166 102 F HN 0.386 nan 8.300 nan 0.000 0.659 103 M N 2.135 122.192 119.600 0.762 0.000 2.157 103 M HA 0.394 4.874 4.480 -0.000 0.000 0.354 103 M C -2.655 173.912 176.300 0.445 0.000 1.170 103 M CA -2.566 53.122 55.300 0.647 0.000 1.060 103 M CB 0.771 33.678 32.600 0.511 0.000 1.615 103 M HN -0.069 nan 8.290 nan 0.000 0.460 104 P HA 0.055 nan 4.420 nan 0.000 0.268 104 P C 0.037 177.481 177.300 0.239 0.000 1.204 104 P CA 0.061 63.338 63.100 0.296 0.000 0.768 104 P CB 0.466 32.309 31.700 0.238 0.000 0.842 105 K N 2.957 123.491 120.400 0.224 0.000 2.097 105 K HA -0.272 4.048 4.320 -0.000 0.000 0.214 105 K C 1.691 178.389 176.600 0.163 0.000 1.052 105 K CA 2.331 58.719 56.287 0.169 0.000 0.932 105 K CB -0.593 31.993 32.500 0.143 0.000 0.716 105 K HN 0.518 nan 8.250 nan 0.000 0.455 106 A N 0.372 123.329 122.820 0.229 0.000 2.209 106 A HA -0.027 4.293 4.320 -0.000 0.000 0.212 106 A C 1.759 179.482 177.584 0.231 0.000 1.158 106 A CA 0.790 52.978 52.037 0.251 0.000 0.742 106 A CB -0.056 19.147 19.000 0.338 0.000 0.790 106 A HN 0.249 nan 8.150 nan 0.000 0.472 107 L N -1.550 119.753 121.223 0.134 0.000 2.701 107 L HA 0.286 4.626 4.340 -0.000 0.000 0.238 107 L C 1.212 178.101 176.870 0.032 0.000 1.106 107 L CA 0.081 54.935 54.840 0.025 0.000 0.898 107 L CB 0.046 42.029 42.059 -0.128 0.000 1.188 107 L HN 0.378 nan 8.230 nan 0.000 0.508 108 A N -0.076 122.783 122.820 0.064 0.000 2.425 108 A HA 0.188 4.508 4.320 -0.000 0.000 0.249 108 A C 1.293 178.875 177.584 -0.004 0.000 1.084 108 A CA 0.448 52.510 52.037 0.041 0.000 0.781 108 A CB 0.480 19.525 19.000 0.074 0.000 1.019 108 A HN 0.378 nan 8.150 nan 0.000 0.490 109 S N 1.539 117.209 115.700 -0.049 0.000 2.528 109 S HA 0.422 4.892 4.470 -0.000 0.000 0.219 109 S C 0.830 175.395 174.600 -0.058 0.000 0.985 109 S CA 0.466 58.628 58.200 -0.063 0.000 0.914 109 S CB -0.181 62.956 63.200 -0.104 0.000 0.776 109 S HN 1.656 nan 8.310 nan 0.000 0.526 110 G N -0.042 108.725 108.800 -0.054 0.000 2.682 110 G HA2 0.488 4.448 3.960 -0.000 0.000 0.303 110 G HA3 0.488 4.448 3.960 -0.000 0.000 0.303 110 G C -1.304 173.573 174.900 -0.039 0.000 1.341 110 G CA -0.397 44.670 45.100 -0.055 0.000 0.784 110 G HN 0.042 nan 8.290 nan 0.000 0.497 111 D N -0.504 119.868 120.400 -0.047 0.000 2.389 111 D HA 0.080 4.720 4.640 -0.000 0.000 0.206 111 D C 1.076 177.339 176.300 -0.061 0.000 1.055 111 D CA 0.113 54.089 54.000 -0.040 0.000 0.856 111 D CB 0.476 41.253 40.800 -0.038 0.000 0.957 111 D HN 0.416 nan 8.370 nan 0.000 0.509 112 Q N 1.592 121.342 119.800 -0.083 0.000 2.286 112 Q HA 0.105 4.445 4.340 -0.000 0.000 0.290 112 Q C -0.075 175.843 176.000 -0.137 0.000 1.049 112 Q CA 0.534 56.267 55.803 -0.117 0.000 0.923 112 Q CB 0.447 29.105 28.738 -0.134 0.000 1.183 112 Q HN 0.178 nan 8.270 nan 0.000 0.383 113 T N -0.151 114.290 114.554 -0.188 0.000 2.864 113 T HA 0.710 5.060 4.350 -0.000 0.000 0.289 113 T C -0.958 173.490 174.700 -0.420 0.000 1.082 113 T CA -0.869 61.071 62.100 -0.267 0.000 1.009 113 T CB 1.758 70.508 68.868 -0.197 0.000 1.234 113 T HN 0.426 nan 8.240 nan 0.000 0.526 114 V N 1.514 121.044 119.914 -0.640 0.000 2.876 114 V HA 0.835 4.955 4.120 -0.000 0.000 0.312 114 V C -1.361 174.225 176.094 -0.846 0.000 1.085 114 V CA -0.868 60.885 62.300 -0.912 0.000 0.945 114 V CB 0.547 31.453 31.823 -1.528 0.000 1.017 114 V HN 1.121 nan 8.190 nan 0.000 0.428 115 F N 3.270 122.945 119.950 -0.459 0.000 2.183 115 F HA -0.241 4.286 4.527 -0.000 0.000 0.318 115 F C 0.405 176.058 175.800 -0.245 0.000 1.165 115 F CA 0.555 58.309 58.000 -0.409 0.000 0.912 115 F CB -0.923 37.538 39.000 -0.898 0.000 4.135 115 F HN 0.798 nan 8.300 nan 0.000 0.137 116 Y N 2.270 122.596 120.300 0.042 0.000 2.293 116 Y HA -0.155 4.395 4.550 0.000 0.000 0.291 116 Y C 1.892 177.878 175.900 0.144 0.000 1.137 116 Y CA 1.998 60.148 58.100 0.082 0.000 1.202 116 Y CB -0.267 38.267 38.460 0.123 0.000 0.990 116 Y HN 0.474 nan 8.280 nan 0.000 0.537 117 W N 0.845 122.167 121.300 0.035 0.000 3.180 117 W HA 0.241 4.901 4.660 -0.000 0.000 0.254 117 W C -0.165 176.359 176.519 0.008 0.000 1.318 117 W CA 0.370 57.669 57.345 -0.076 0.000 1.608 117 W CB -0.833 28.658 29.460 0.051 0.000 1.124 117 W HN 0.052 nan 8.180 nan 0.000 0.694 118 K N 0.869 121.185 120.400 -0.140 0.000 3.372 118 K HA -0.128 4.192 4.320 -0.000 0.000 0.272 118 K C 0.627 177.181 176.600 -0.077 0.000 1.037 118 K CA 0.631 56.832 56.287 -0.144 0.000 0.777 118 K CB -1.668 30.798 32.500 -0.056 0.000 1.347 118 K HN 0.344 nan 8.250 nan 0.000 0.460 119 G N 1.376 109.992 108.800 -0.307 0.000 2.398 119 G HA2 0.025 3.985 3.960 -0.000 0.000 0.246 119 G HA3 0.025 3.985 3.960 -0.000 0.000 0.246 119 G C 0.004 174.790 174.900 -0.189 0.000 1.289 119 G CA -0.423 44.639 45.100 -0.063 0.000 0.869 119 G HN 0.362 nan 8.290 nan 0.000 0.543 120 N N 1.527 120.276 118.700 0.082 0.000 2.488 120 N HA 0.123 4.863 4.740 -0.000 0.000 0.274 120 N C 0.005 175.641 175.510 0.210 0.000 1.111 120 N CA -0.365 52.735 53.050 0.083 0.000 0.974 120 N CB 1.742 40.319 38.487 0.151 0.000 1.089 120 N HN 0.087 nan 8.380 nan 0.000 0.465 121 V N 2.698 122.691 119.914 0.132 0.000 3.070 121 V HA 0.054 4.174 4.120 -0.000 0.000 0.345 121 V C 0.314 176.559 176.094 0.250 0.000 1.403 121 V CA -0.025 62.480 62.300 0.342 0.000 1.155 121 V CB 0.014 31.811 31.823 -0.043 0.000 1.140 121 V HN 0.828 nan 8.190 nan 0.000 0.505 122 T N -1.368 113.256 114.554 0.117 0.000 2.945 122 T HA 0.641 4.991 4.350 -0.000 0.000 0.286 122 T C -2.800 171.797 174.700 -0.171 0.000 1.025 122 T CA -2.300 59.715 62.100 -0.142 0.000 1.039 122 T CB 2.052 70.841 68.868 -0.132 0.000 1.068 122 T HN -0.022 nan 8.240 nan 0.000 0.497 123 P HA 0.239 nan 4.420 nan 0.000 0.271 123 P C -2.403 174.710 177.300 -0.310 0.000 1.233 123 P CA -1.188 61.716 63.100 -0.327 0.000 0.789 123 P CB -0.486 31.030 31.700 -0.306 0.000 0.951 124 P HA 0.078 nan 4.420 nan 0.000 0.274 124 P C 0.228 177.329 177.300 -0.332 0.000 1.237 124 P CA -0.088 62.785 63.100 -0.377 0.000 0.793 124 P CB 0.838 32.269 31.700 -0.449 0.000 0.977 125 K N 0.413 120.718 120.400 -0.158 0.000 2.365 125 K HA 0.020 4.340 4.320 -0.000 0.000 0.197 125 K C -0.079 176.487 176.600 -0.057 0.000 1.042 125 K CA 0.904 57.139 56.287 -0.086 0.000 0.987 125 K CB -0.108 32.376 32.500 -0.028 0.000 0.779 125 K HN 0.381 nan 8.250 nan 0.000 0.484 126 D N -1.320 119.031 120.400 -0.081 0.000 2.763 126 D HA 0.064 4.704 4.640 -0.000 0.000 0.235 126 D C -0.337 175.968 176.300 0.007 0.000 1.334 126 D CA -0.475 53.531 54.000 0.009 0.000 0.950 126 D CB 0.300 41.135 40.800 0.058 0.000 1.433 126 D HN -0.063 nan 8.370 nan 0.000 0.580 127 Y N 2.118 122.471 120.300 0.088 0.000 2.373 127 Y HA -0.047 4.503 4.550 -0.000 0.000 0.293 127 Y C 2.072 178.071 175.900 0.165 0.000 1.129 127 Y CA 0.701 58.878 58.100 0.129 0.000 1.226 127 Y CB 0.168 38.673 38.460 0.075 0.000 1.000 127 Y HN 0.414 nan 8.280 nan 0.000 0.549 128 N N 0.298 119.149 118.700 0.251 0.000 2.188 128 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 128 N C 1.571 177.175 175.510 0.156 0.000 1.018 128 N CA 1.168 54.323 53.050 0.175 0.000 0.858 128 N CB -0.243 38.321 38.487 0.129 0.000 0.989 128 N HN 0.388 nan 8.380 nan 0.000 0.426 129 K N 0.310 120.805 120.400 0.157 0.000 2.057 129 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 129 K C 1.924 178.607 176.600 0.138 0.000 1.049 129 K CA 0.775 57.157 56.287 0.158 0.000 0.931 129 K CB -0.147 32.440 32.500 0.145 0.000 0.714 129 K HN 0.344 nan 8.250 nan 0.000 0.440 130 W N 3.208 124.485 121.300 -0.038 0.000 2.333 130 W HA -0.264 4.396 4.660 -0.000 0.000 0.316 130 W C 1.957 178.457 176.519 -0.033 0.000 1.215 130 W CA 2.173 59.482 57.345 -0.061 0.000 1.278 130 W CB -0.133 29.273 29.460 -0.090 0.000 1.154 130 W HN 0.055 nan 8.180 nan 0.000 0.486 131 R N 0.364 120.925 120.500 0.102 0.000 2.096 131 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 131 R C 1.625 177.843 176.300 -0.137 0.000 1.127 131 R CA 2.045 58.114 56.100 -0.052 0.000 0.968 131 R CB -1.242 29.082 30.300 0.041 0.000 0.861 131 R HN -0.034 nan 8.270 nan 0.000 0.440 132 D N 1.045 121.423 120.400 -0.037 0.000 2.178 132 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 132 D C 1.915 178.136 176.300 -0.130 0.000 0.980 132 D CA 0.900 54.889 54.000 -0.020 0.000 0.842 132 D CB -0.171 40.702 40.800 0.121 0.000 0.948 132 D HN 0.205 nan 8.370 nan 0.000 0.472 133 L N 0.515 121.646 121.223 -0.153 0.000 2.017 133 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 133 L C 2.080 178.675 176.870 -0.458 0.000 1.073 133 L CA 0.943 55.620 54.840 -0.272 0.000 0.745 133 L CB -0.079 41.798 42.059 -0.304 0.000 0.894 133 L HN -0.022 nan 8.230 nan 0.000 0.432 134 I N -0.640 119.574 120.570 -0.593 0.000 2.179 134 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 134 I C 2.658 178.538 176.117 -0.396 0.000 1.088 134 I CA 1.166 62.076 61.300 -0.651 0.000 1.357 134 I CB -1.333 36.181 38.000 -0.811 0.000 1.051 134 I HN 0.104 nan 8.210 nan 0.000 0.409 135 V N 1.449 121.174 119.914 -0.315 0.000 2.287 135 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 135 V C 2.862 178.819 176.094 -0.229 0.000 1.053 135 V CA 1.938 64.104 62.300 -0.223 0.000 1.027 135 V CB -1.178 30.549 31.823 -0.161 0.000 0.646 135 V HN 0.470 nan 8.190 nan 0.000 0.447 136 A N -0.315 122.311 122.820 -0.324 0.000 1.883 136 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 136 A C 2.384 179.827 177.584 -0.235 0.000 1.186 136 A CA 2.334 54.147 52.037 -0.373 0.000 0.624 136 A CB -0.737 17.660 19.000 -1.005 0.000 0.822 136 A HN 0.353 nan 8.150 nan 0.000 0.444 137 V N -0.400 119.377 119.914 -0.227 0.000 2.307 137 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 137 V C 2.575 178.418 176.094 -0.417 0.000 1.045 137 V CA 1.919 64.082 62.300 -0.228 0.000 1.024 137 V CB -0.781 31.009 31.823 -0.054 0.000 0.651 137 V HN 0.381 nan 8.190 nan 0.000 0.449 138 V N 0.363 120.190 119.914 -0.144 0.000 2.343 138 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 138 V C 2.520 178.592 176.094 -0.037 0.000 1.051 138 V CA 2.221 64.532 62.300 0.019 0.000 1.036 138 V CB -0.877 30.937 31.823 -0.015 0.000 0.654 138 V HN 0.596 nan 8.190 nan 0.000 0.451 139 S N -0.915 114.716 115.700 -0.115 0.000 2.382 139 S HA -0.250 4.220 4.470 -0.000 0.000 0.228 139 S C 1.975 176.482 174.600 -0.156 0.000 1.027 139 S CA 1.563 59.696 58.200 -0.112 0.000 0.991 139 S CB -0.564 62.572 63.200 -0.107 0.000 0.823 139 S HN 0.742 nan 8.310 nan 0.000 0.469 140 H N 0.770 119.609 119.070 -0.385 0.000 2.389 140 H HA 0.004 4.560 4.556 -0.000 0.000 0.299 140 H C 1.763 176.928 175.328 -0.272 0.000 1.081 140 H CA 1.282 56.998 56.048 -0.552 0.000 1.345 140 H CB -0.340 28.609 29.762 -1.355 0.000 1.393 140 H HN 0.491 nan 8.280 nan 0.000 0.520 141 F N 0.587 120.498 119.950 -0.065 0.000 2.095 141 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 141 F C 2.805 178.560 175.800 -0.075 0.000 1.104 141 F CA 0.778 58.841 58.000 0.106 0.000 1.232 141 F CB -0.158 39.001 39.000 0.264 0.000 0.987 141 F HN 0.097 nan 8.300 nan 0.000 0.475 142 I N 0.037 120.642 120.570 0.058 0.000 2.315 142 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 142 I C 2.108 178.150 176.117 -0.125 0.000 1.117 142 I CA 1.323 62.592 61.300 -0.051 0.000 1.404 142 I CB -0.448 37.521 38.000 -0.052 0.000 1.071 142 I HN 0.163 nan 8.210 nan 0.000 0.419 143 E N 0.478 120.558 120.200 -0.199 0.000 2.058 143 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 143 E C 2.285 178.685 176.600 -0.333 0.000 0.997 143 E CA 1.198 57.449 56.400 -0.249 0.000 0.801 143 E CB -0.151 29.384 29.700 -0.276 0.000 0.746 143 E HN 0.375 nan 8.360 nan 0.000 0.450 144 R N -0.242 119.940 120.500 -0.529 0.000 2.093 144 R HA -0.073 4.267 4.340 -0.000 0.000 0.224 144 R C 1.187 177.102 176.300 -0.642 0.000 1.101 144 R CA 1.131 56.812 56.100 -0.699 0.000 0.979 144 R CB 0.133 29.809 30.300 -1.040 0.000 0.877 144 R HN 0.240 nan 8.270 nan 0.000 0.441 145 Y N -0.713 119.544 120.300 -0.073 0.000 2.445 145 Y HA 0.382 4.932 4.550 -0.000 0.000 0.247 145 Y C 0.593 176.436 175.900 -0.095 0.000 1.129 145 Y CA 0.094 58.165 58.100 -0.048 0.000 1.251 145 Y CB 1.364 39.820 38.460 -0.007 0.000 1.176 145 Y HN 0.294 nan 8.280 nan 0.000 0.522 146 G N 0.855 109.640 108.800 -0.025 0.000 2.777 146 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.686 146 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.686 146 G C 0.131 174.987 174.900 -0.074 0.000 1.177 146 G CA -0.318 44.755 45.100 -0.046 0.000 0.775 146 G HN 0.123 nan 8.290 nan 0.000 0.613 147 I N 0.943 121.474 120.570 -0.065 0.000 2.264 147 I HA -0.092 4.078 4.170 -0.000 0.000 0.248 147 I C 2.354 178.426 176.117 -0.075 0.000 1.111 147 I CA 2.548 63.808 61.300 -0.066 0.000 1.382 147 I CB -0.422 37.560 38.000 -0.029 0.000 1.060 147 I HN 0.792 nan 8.210 nan 0.000 0.418 148 E N -0.291 119.876 120.200 -0.055 0.000 2.058 148 E HA -0.317 4.033 4.350 -0.000 0.000 0.194 148 E C 2.071 178.626 176.600 -0.075 0.000 0.997 148 E CA 1.616 57.989 56.400 -0.046 0.000 0.801 148 E CB -0.096 29.589 29.700 -0.026 0.000 0.746 148 E HN 0.501 nan 8.360 nan 0.000 0.450 149 E N 0.324 120.463 120.200 -0.102 0.000 2.051 149 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 149 E C 1.916 178.242 176.600 -0.458 0.000 0.991 149 E CA 1.198 57.512 56.400 -0.142 0.000 0.799 149 E CB -0.117 29.550 29.700 -0.055 0.000 0.748 149 E HN 0.047 nan 8.360 nan 0.000 0.449 150 V N 0.744 120.265 119.914 -0.655 0.000 2.667 150 V HA -0.112 4.008 4.120 -0.000 0.000 0.252 150 V C 2.311 178.186 176.094 -0.366 0.000 1.065 150 V CA 1.722 63.383 62.300 -1.066 0.000 1.083 150 V CB -0.505 30.888 31.823 -0.716 0.000 0.692 150 V HN 0.227 nan 8.190 nan 0.000 0.468 151 R N 0.632 121.050 120.500 -0.138 0.000 2.200 151 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 151 R C 2.259 178.612 176.300 0.089 0.000 1.127 151 R CA 1.792 57.916 56.100 0.041 0.000 0.989 151 R CB -0.486 29.841 30.300 0.044 0.000 0.869 151 R HN 0.738 nan 8.270 nan 0.000 0.459 152 T N -2.786 111.808 114.554 0.068 0.000 3.113 152 T HA -0.014 4.336 4.350 -0.000 0.000 0.256 152 T C 0.400 175.321 174.700 0.369 0.000 1.131 152 T CA -0.159 62.063 62.100 0.202 0.000 1.074 152 T CB -0.001 68.987 68.868 0.200 0.000 0.944 152 T HN 0.056 nan 8.240 nan 0.000 0.516 153 W N 1.005 122.302 121.300 -0.005 0.000 2.030 153 W HA 0.733 5.393 4.660 0.000 0.000 0.371 153 W C -0.047 176.236 176.519 -0.393 0.000 1.456 153 W CA -2.022 55.200 57.345 -0.206 0.000 1.570 153 W CB -0.088 29.124 29.460 -0.413 0.000 1.249 153 W HN 0.052 nan 8.180 nan 0.000 0.677 154 L N 0.328 121.228 121.223 -0.539 0.000 2.409 154 L HA 0.495 4.835 4.340 -0.000 0.000 0.262 154 L C -1.226 175.253 176.870 -0.652 0.000 0.992 154 L CA -0.623 53.832 54.840 -0.643 0.000 0.817 154 L CB 1.809 42.965 42.059 -1.505 0.000 1.350 154 L HN 0.046 nan 8.230 nan 0.000 0.411 155 F N 0.675 120.721 119.950 0.161 0.000 2.577 155 F HA 0.406 4.933 4.527 -0.000 0.000 0.344 155 F C 0.123 176.209 175.800 0.475 0.000 1.145 155 F CA -0.491 57.659 58.000 0.250 0.000 0.996 155 F CB 1.589 40.767 39.000 0.297 0.000 1.248 155 F HN 0.375 nan 8.300 nan 0.000 0.447 156 E N 2.187 122.783 120.200 0.659 0.000 2.242 156 E HA 0.615 4.965 4.350 -0.000 0.000 0.275 156 E C -1.217 175.730 176.600 0.578 0.000 1.002 156 E CA -0.680 56.121 56.400 0.669 0.000 0.841 156 E CB 1.725 31.816 29.700 0.651 0.000 1.109 156 E HN 0.357 nan 8.360 nan 0.000 0.394 157 V N 6.059 126.344 119.914 0.619 0.000 2.347 157 V HA 0.223 4.343 4.120 -0.000 0.000 0.280 157 V C 0.063 176.594 176.094 0.728 0.000 1.021 157 V CA -0.470 62.259 62.300 0.716 0.000 0.847 157 V CB 0.125 32.359 31.823 0.685 0.000 0.990 157 V HN 0.823 nan 8.190 nan 0.000 0.444 158 W N 3.478 125.015 121.300 0.395 0.000 3.082 158 W HA -0.256 4.404 4.660 0.000 0.000 0.313 158 W C -0.216 176.351 176.519 0.079 0.000 0.322 158 W CA 0.886 58.368 57.345 0.229 0.000 0.459 158 W CB -0.171 29.401 29.460 0.186 0.000 2.841 158 W HN 0.792 nan 8.180 nan 0.000 0.416 159 N N 0.732 119.355 118.700 -0.128 0.000 2.455 159 N HA 0.238 4.978 4.740 -0.000 0.000 0.285 159 N C -1.074 174.305 175.510 -0.218 0.000 1.080 159 N CA 0.338 53.258 53.050 -0.216 0.000 0.932 159 N CB 0.959 39.220 38.487 -0.377 0.000 1.610 159 N HN 0.356 nan 8.380 nan 0.000 0.493 160 E N 1.497 121.469 120.200 -0.380 0.000 2.228 160 E HA -0.172 4.178 4.350 -0.000 0.000 0.213 160 E C -1.719 174.738 176.600 -0.238 0.000 1.282 160 E CA 0.342 56.481 56.400 -0.436 0.000 0.707 160 E CB -0.590 28.756 29.700 -0.591 0.000 1.150 160 E HN 0.613 nan 8.360 nan 0.000 0.362 161 P HA -0.202 nan 4.420 nan 0.000 0.225 161 P C 0.908 177.944 177.300 -0.441 0.000 1.148 161 P CA 1.278 64.164 63.100 -0.356 0.000 0.779 161 P CB -0.010 31.113 31.700 -0.961 0.000 0.780 162 N N 0.028 118.118 118.700 -1.015 0.000 2.521 162 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 162 N C 0.281 175.609 175.510 -0.304 0.000 1.146 162 N CA 0.369 52.805 53.050 -1.023 0.000 0.893 162 N CB -0.502 37.048 38.487 -1.562 0.000 0.975 162 N HN 0.239 nan 8.380 nan 0.000 0.451 163 L N 0.626 121.782 121.223 -0.112 0.000 2.313 163 L HA 0.296 4.636 4.340 -0.000 0.000 0.283 163 L C 1.298 178.235 176.870 0.111 0.000 1.013 163 L CA -0.652 54.209 54.840 0.035 0.000 0.816 163 L CB 2.564 44.706 42.059 0.139 0.000 1.236 163 L HN -0.263 nan 8.230 nan 0.000 0.419 164 V N 3.052 122.993 119.914 0.045 0.000 2.688 164 V HA -0.255 3.865 4.120 -0.000 0.000 0.256 164 V C 1.949 178.001 176.094 -0.070 0.000 1.084 164 V CA 1.777 64.080 62.300 0.004 0.000 1.103 164 V CB -0.519 31.291 31.823 -0.022 0.000 0.688 164 V HN 0.787 nan 8.190 nan 0.000 0.480 165 N N -0.952 117.666 118.700 -0.137 0.000 2.396 165 N HA -0.066 4.674 4.740 -0.000 0.000 0.180 165 N C 1.408 176.522 175.510 -0.660 0.000 1.028 165 N CA 1.280 54.077 53.050 -0.422 0.000 0.893 165 N CB -0.038 38.109 38.487 -0.567 0.000 0.967 165 N HN 0.499 nan 8.380 nan 0.000 0.440 166 F N -1.413 118.493 119.950 -0.074 0.000 2.720 166 F HA 0.279 4.806 4.527 -0.000 0.000 0.301 166 F C 0.474 176.542 175.800 0.446 0.000 1.103 166 F CA -0.281 57.724 58.000 0.010 0.000 1.291 166 F CB 0.842 39.856 39.000 0.023 0.000 1.086 166 F HN 0.023 nan 8.300 nan 0.000 0.592 167 W N 2.181 123.611 121.300 0.216 0.000 3.651 167 W HA 0.180 4.840 4.660 -0.000 0.000 0.322 167 W C -1.172 175.366 176.519 0.031 0.000 1.132 167 W CA -1.266 56.186 57.345 0.179 0.000 1.277 167 W CB 0.735 30.292 29.460 0.162 0.000 1.249 167 W HN -0.390 nan 8.180 nan 0.000 0.448 168 K N 5.803 125.963 120.400 -0.400 0.000 2.511 168 K HA -0.139 4.181 4.320 -0.000 0.000 0.277 168 K C 0.471 176.855 176.600 -0.361 0.000 1.025 168 K CA 1.737 57.793 56.287 -0.385 0.000 1.112 168 K CB 0.406 32.624 32.500 -0.470 0.000 0.859 168 K HN 0.580 nan 8.250 nan 0.000 0.485 169 D N 2.403 122.694 120.400 -0.181 0.000 3.070 169 D HA -0.267 4.373 4.640 -0.000 0.000 0.220 169 D C 0.253 176.542 176.300 -0.020 0.000 1.176 169 D CA 1.288 55.223 54.000 -0.108 0.000 0.924 169 D CB -1.542 39.175 40.800 -0.138 0.000 1.124 169 D HN 0.893 nan 8.370 nan 0.000 0.411 170 A N -0.441 122.412 122.820 0.055 0.000 2.665 170 A HA -0.325 3.995 4.320 -0.000 0.000 0.301 170 A C 0.480 178.294 177.584 0.384 0.000 1.509 170 A CA 1.099 53.310 52.037 0.290 0.000 0.789 170 A CB -1.570 17.553 19.000 0.206 0.000 1.024 170 A HN 0.442 nan 8.150 nan 0.000 0.460 171 N N 0.340 119.175 118.700 0.226 0.000 2.400 171 N HA 0.080 4.820 4.740 -0.000 0.000 0.267 171 N C 1.053 176.736 175.510 0.288 0.000 1.208 171 N CA 0.680 53.819 53.050 0.148 0.000 0.951 171 N CB 0.559 38.996 38.487 -0.083 0.000 1.227 171 N HN 0.665 nan 8.380 nan 0.000 0.488 172 K N 2.846 123.204 120.400 -0.070 0.000 2.026 172 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 172 K C 1.083 177.185 176.600 -0.830 0.000 1.048 172 K CA 1.207 57.034 56.287 -0.767 0.000 0.929 172 K CB 0.270 32.063 32.500 -1.177 0.000 0.713 172 K HN 0.514 nan 8.250 nan 0.000 0.439 173 Q N 0.439 119.950 119.800 -0.482 0.000 2.123 173 Q HA -0.098 4.242 4.340 -0.000 0.000 0.199 173 Q C 1.943 177.847 176.000 -0.159 0.000 0.966 173 Q CA 0.992 56.575 55.803 -0.368 0.000 0.845 173 Q CB -0.029 28.609 28.738 -0.166 0.000 0.907 173 Q HN 0.378 nan 8.270 nan 0.000 0.439 174 E N 0.037 120.239 120.200 0.004 0.000 2.110 174 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 174 E C 1.843 178.647 176.600 0.339 0.000 0.988 174 E CA 0.732 57.241 56.400 0.182 0.000 0.804 174 E CB -0.181 29.634 29.700 0.192 0.000 0.745 174 E HN 0.377 nan 8.360 nan 0.000 0.458 175 Y N 0.612 121.061 120.300 0.249 0.000 2.181 175 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 175 Y C 2.043 177.961 175.900 0.031 0.000 1.146 175 Y CA 1.548 59.569 58.100 -0.132 0.000 1.164 175 Y CB -0.668 37.641 38.460 -0.252 0.000 0.982 175 Y HN -0.017 nan 8.280 nan 0.000 0.515 176 F N 0.333 120.085 119.950 -0.331 0.000 2.126 176 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 176 F C 2.601 178.148 175.800 -0.423 0.000 1.096 176 F CA 1.264 58.875 58.000 -0.648 0.000 1.255 176 F CB -0.313 37.892 39.000 -1.325 0.000 0.997 176 F HN 0.018 nan 8.300 nan 0.000 0.479 177 K N 1.046 121.396 120.400 -0.084 0.000 2.002 177 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 177 K C 2.155 178.674 176.600 -0.134 0.000 1.048 177 K CA 1.037 57.266 56.287 -0.097 0.000 0.930 177 K CB -0.338 32.037 32.500 -0.209 0.000 0.714 177 K HN 0.218 nan 8.250 nan 0.000 0.438 178 L N 0.685 121.842 121.223 -0.110 0.000 2.012 178 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 178 L C 2.310 179.119 176.870 -0.102 0.000 1.073 178 L CA 1.887 56.678 54.840 -0.081 0.000 0.748 178 L CB -0.662 41.207 42.059 -0.316 0.000 0.891 178 L HN 0.355 nan 8.230 nan 0.000 0.431 179 Y N 1.159 121.239 120.300 -0.367 0.000 2.114 179 Y HA -0.350 4.200 4.550 -0.000 0.000 0.282 179 Y C 2.722 178.653 175.900 0.052 0.000 1.165 179 Y CA 2.501 60.496 58.100 -0.175 0.000 1.148 179 Y CB -0.230 38.117 38.460 -0.187 0.000 0.972 179 Y HN 0.365 nan 8.280 nan 0.000 0.504 180 E N -0.749 119.502 120.200 0.085 0.000 2.047 180 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 180 E C 2.127 178.711 176.600 -0.027 0.000 0.987 180 E CA 1.565 58.017 56.400 0.087 0.000 0.799 180 E CB -0.254 29.608 29.700 0.270 0.000 0.752 180 E HN 0.342 nan 8.360 nan 0.000 0.449 181 V N 1.030 120.953 119.914 0.015 0.000 2.332 181 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 181 V C 2.371 178.503 176.094 0.062 0.000 1.055 181 V CA 2.273 64.615 62.300 0.071 0.000 1.038 181 V CB -0.753 31.187 31.823 0.196 0.000 0.651 181 V HN 0.422 nan 8.190 nan 0.000 0.450 182 T N 0.187 114.783 114.554 0.070 0.000 2.812 182 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 182 T C 2.043 176.649 174.700 -0.155 0.000 1.042 182 T CA 1.407 63.515 62.100 0.014 0.000 1.140 182 T CB -0.379 68.590 68.868 0.168 0.000 0.870 182 T HN 0.552 nan 8.240 nan 0.000 0.445 183 A N 1.871 124.506 122.820 -0.308 0.000 1.930 183 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 183 A C 2.391 179.878 177.584 -0.162 0.000 1.175 183 A CA 1.040 52.896 52.037 -0.301 0.000 0.627 183 A CB -0.418 18.249 19.000 -0.556 0.000 0.815 183 A HN 0.375 nan 8.150 nan 0.000 0.443 184 R N -0.425 119.998 120.500 -0.129 0.000 2.092 184 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 184 R C 2.467 178.713 176.300 -0.090 0.000 1.119 184 R CA 1.127 57.175 56.100 -0.086 0.000 0.970 184 R CB -0.467 29.799 30.300 -0.056 0.000 0.864 184 R HN 0.501 nan 8.270 nan 0.000 0.440 185 A N 0.802 123.562 122.820 -0.102 0.000 1.902 185 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 185 A C 2.362 179.854 177.584 -0.153 0.000 1.181 185 A CA 1.433 53.394 52.037 -0.126 0.000 0.623 185 A CB -0.518 18.380 19.000 -0.170 0.000 0.818 185 A HN 0.115 nan 8.150 nan 0.000 0.443 186 V N 0.281 120.093 119.914 -0.169 0.000 2.358 186 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 186 V C 2.437 178.442 176.094 -0.148 0.000 1.047 186 V CA 2.036 64.225 62.300 -0.185 0.000 1.035 186 V CB -0.522 31.192 31.823 -0.181 0.000 0.658 186 V HN 0.404 nan 8.190 nan 0.000 0.452 187 K N 0.844 121.176 120.400 -0.113 0.000 2.211 187 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 187 K C 2.405 178.947 176.600 -0.097 0.000 1.050 187 K CA 1.516 57.746 56.287 -0.096 0.000 0.945 187 K CB -0.649 31.805 32.500 -0.076 0.000 0.732 187 K HN 0.673 nan 8.250 nan 0.000 0.451 188 S N 0.242 115.886 115.700 -0.092 0.000 2.447 188 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 188 S C 2.098 176.649 174.600 -0.081 0.000 1.006 188 S CA 0.926 59.078 58.200 -0.080 0.000 0.957 188 S CB -0.416 62.742 63.200 -0.071 0.000 0.773 188 S HN -0.020 nan 8.310 nan 0.000 0.507 189 V N 1.297 121.155 119.914 -0.095 0.000 2.346 189 V HA 0.153 4.272 4.120 -0.000 0.000 0.244 189 V C 0.835 176.884 176.094 -0.076 0.000 1.037 189 V CA 1.381 63.630 62.300 -0.086 0.000 1.029 189 V CB -0.500 31.264 31.823 -0.098 0.000 0.663 189 V HN 0.617 nan 8.190 nan 0.000 0.454 190 D N -0.785 119.564 120.400 -0.086 0.000 2.861 190 D HA 0.173 4.813 4.640 -0.000 0.000 0.216 190 D C -2.415 173.814 176.300 -0.117 0.000 1.323 190 D CA -1.145 52.807 54.000 -0.079 0.000 0.917 190 D CB 2.656 43.437 40.800 -0.032 0.000 1.582 190 D HN -0.007 nan 8.370 nan 0.000 0.576 191 P HA -0.068 nan 4.420 nan 0.000 0.228 191 P C 0.457 177.561 177.300 -0.327 0.000 1.151 191 P CA 0.942 63.867 63.100 -0.293 0.000 0.770 191 P CB 0.113 31.581 31.700 -0.387 0.000 0.786 192 H N -1.337 117.748 119.070 0.025 0.000 2.529 192 H HA 0.239 4.795 4.556 -0.000 0.000 0.277 192 H C 0.771 176.147 175.328 0.081 0.000 1.004 192 H CA -0.489 55.589 56.048 0.051 0.000 1.167 192 H CB -0.357 29.431 29.762 0.043 0.000 1.445 192 H HN 0.055 nan 8.280 nan 0.000 0.554 193 L N 2.086 123.389 121.223 0.133 0.000 2.455 193 L HA 0.042 4.382 4.340 -0.000 0.000 0.272 193 L C 0.148 177.157 176.870 0.231 0.000 1.174 193 L CA -0.177 54.769 54.840 0.176 0.000 0.869 193 L CB 0.531 42.591 42.059 0.002 0.000 1.130 193 L HN 0.223 nan 8.230 nan 0.000 0.474 194 Q N 3.494 123.519 119.800 0.374 0.000 2.322 194 Q HA 0.377 4.717 4.340 -0.000 0.000 0.256 194 Q C -0.504 175.804 176.000 0.514 0.000 0.960 194 Q CA -0.136 55.900 55.803 0.389 0.000 0.934 194 Q CB 2.331 31.286 28.738 0.362 0.000 1.200 194 Q HN 0.452 nan 8.270 nan 0.000 0.435 195 V N 1.476 121.587 119.914 0.328 0.000 2.769 195 V HA 0.965 5.085 4.120 -0.000 0.000 0.312 195 V C -0.384 175.637 176.094 -0.123 0.000 1.061 195 V CA -0.201 62.252 62.300 0.256 0.000 0.931 195 V CB 2.054 33.990 31.823 0.189 0.000 1.010 195 V HN 0.874 nan 8.190 nan 0.000 0.433 196 G N 2.482 111.115 108.800 -0.279 0.000 2.550 196 G HA2 0.818 4.778 3.960 -0.000 0.000 0.293 196 G HA3 0.818 4.778 3.960 -0.000 0.000 0.293 196 G C -0.529 174.364 174.900 -0.011 0.000 1.402 196 G CA 0.041 44.712 45.100 -0.714 0.000 0.784 196 G HN 1.580 nan 8.290 nan 0.000 0.482 197 G N -1.599 107.160 108.800 -0.069 0.000 2.427 197 G HA2 0.656 4.616 3.960 -0.000 0.000 0.306 197 G HA3 0.656 4.616 3.960 -0.000 0.000 0.306 197 G C -2.809 171.822 174.900 -0.449 0.000 1.280 197 G CA 0.180 45.198 45.100 -0.138 0.000 0.837 197 G HN 0.559 nan 8.290 nan 0.000 0.482 198 P HA 0.326 nan 4.420 nan 0.000 0.267 198 P C 0.713 177.772 177.300 -0.401 0.000 1.289 198 P CA 1.131 63.864 63.100 -0.611 0.000 0.866 198 P CB 1.059 32.351 31.700 -0.681 0.000 1.309 199 A N 0.435 123.074 122.820 -0.301 0.000 2.930 199 A HA -0.183 4.137 4.320 -0.000 0.000 0.273 199 A C 0.408 177.573 177.584 -0.697 0.000 1.435 199 A CA 0.627 52.422 52.037 -0.404 0.000 0.780 199 A CB -2.784 16.094 19.000 -0.203 0.000 1.034 199 A HN 0.493 nan 8.150 nan 0.000 0.562 200 I N -2.146 118.068 120.570 -0.593 0.000 2.713 200 I HA 0.661 4.831 4.170 -0.000 0.000 0.300 200 I C 1.031 176.843 176.117 -0.507 0.000 1.009 200 I CA -0.732 60.219 61.300 -0.583 0.000 1.305 200 I CB 1.087 38.786 38.000 -0.502 0.000 1.430 200 I HN 0.750 nan 8.210 nan 0.000 0.546 201 C N 2.823 121.912 119.300 -0.351 0.000 2.352 201 C HA 0.875 5.335 4.460 -0.000 0.000 0.387 201 C C 1.150 176.093 174.990 -0.079 0.000 1.294 201 C CA -0.194 58.755 59.018 -0.113 0.000 2.137 201 C CB 0.162 27.902 27.740 -0.000 0.000 2.146 201 C HN 1.091 nan 8.230 nan 0.000 0.559 202 G N -0.738 108.082 108.800 0.033 0.000 2.712 202 G HA2 0.448 4.408 3.960 -0.000 0.000 0.258 202 G HA3 0.448 4.408 3.960 -0.000 0.000 0.258 202 G C 1.142 176.054 174.900 0.020 0.000 1.241 202 G CA 0.219 45.347 45.100 0.048 0.000 0.923 202 G HN 2.571 nan 8.290 nan 0.000 0.548 203 G N -1.751 107.074 108.800 0.041 0.000 2.203 203 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.263 203 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.263 203 G C 0.609 175.524 174.900 0.026 0.000 1.012 203 G CA 1.276 46.399 45.100 0.038 0.000 0.749 203 G HN 2.115 nan 8.290 nan 0.000 0.512 204 S N -1.342 114.367 115.700 0.015 0.000 2.593 204 S HA 0.372 4.841 4.470 -0.000 0.000 0.178 204 S C 0.337 175.010 174.600 0.121 0.000 1.114 204 S CA 0.322 58.558 58.200 0.060 0.000 1.199 204 S CB 0.796 64.000 63.200 0.007 0.000 1.564 204 S HN 0.009 nan 8.310 nan 0.000 0.407 205 D N 2.561 123.027 120.400 0.110 0.000 2.350 205 D HA -0.081 4.559 4.640 -0.000 0.000 0.216 205 D C 1.748 178.156 176.300 0.180 0.000 0.968 205 D CA 0.833 54.910 54.000 0.128 0.000 0.894 205 D CB 0.199 41.052 40.800 0.089 0.000 0.909 205 D HN 0.820 nan 8.370 nan 0.000 0.520 206 E N -0.322 119.997 120.200 0.199 0.000 2.153 206 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 206 E C 1.818 178.581 176.600 0.270 0.000 0.988 206 E CA 0.528 57.045 56.400 0.195 0.000 0.811 206 E CB -0.412 29.375 29.700 0.145 0.000 0.746 206 E HN 0.375 nan 8.360 nan 0.000 0.466 207 W N 1.572 122.937 121.300 0.109 0.000 2.321 207 W HA -0.139 4.522 4.660 0.000 0.000 0.306 207 W C 2.184 178.839 176.519 0.226 0.000 1.217 207 W CA 0.993 58.436 57.345 0.164 0.000 1.257 207 W CB -0.336 29.153 29.460 0.048 0.000 1.145 207 W HN 0.014 nan 8.180 nan 0.000 0.509 208 I N -0.778 120.020 120.570 0.380 0.000 2.252 208 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 208 I C 2.682 178.980 176.117 0.303 0.000 1.102 208 I CA 1.873 63.359 61.300 0.311 0.000 1.385 208 I CB -1.074 37.045 38.000 0.198 0.000 1.064 208 I HN 0.016 nan 8.210 nan 0.000 0.414 209 T N -0.608 114.087 114.554 0.235 0.000 2.777 209 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 209 T C 1.535 176.360 174.700 0.209 0.000 1.040 209 T CA 1.776 63.990 62.100 0.189 0.000 1.141 209 T CB -0.261 68.684 68.868 0.129 0.000 0.868 209 T HN 0.215 nan 8.240 nan 0.000 0.444 210 D N 0.246 120.791 120.400 0.242 0.000 2.144 210 D HA -0.011 4.629 4.640 -0.000 0.000 0.200 210 D C 1.635 178.057 176.300 0.203 0.000 0.978 210 D CA 0.812 54.979 54.000 0.278 0.000 0.833 210 D CB -0.636 40.343 40.800 0.299 0.000 0.961 210 D HN 0.502 nan 8.370 nan 0.000 0.470 211 F N 1.573 121.532 119.950 0.014 0.000 2.102 211 F HA -0.126 4.401 4.527 0.000 0.000 0.298 211 F C 2.036 177.703 175.800 -0.222 0.000 1.105 211 F CA 1.231 58.989 58.000 -0.403 0.000 1.239 211 F CB -0.393 38.550 39.000 -0.095 0.000 0.991 211 F HN -0.126 nan 8.300 nan 0.000 0.474 212 L N -0.727 120.451 121.223 -0.076 0.000 2.109 212 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 212 L C 2.502 179.425 176.870 0.088 0.000 1.086 212 L CA 1.524 56.312 54.840 -0.087 0.000 0.760 212 L CB -1.011 41.139 42.059 0.151 0.000 0.910 212 L HN 0.248 nan 8.230 nan 0.000 0.437 213 H N -0.063 119.022 119.070 0.025 0.000 2.357 213 H HA -0.249 4.307 4.556 -0.000 0.000 0.301 213 H C 2.005 177.326 175.328 -0.011 0.000 1.082 213 H CA 1.780 57.841 56.048 0.022 0.000 1.342 213 H CB -0.198 29.590 29.762 0.043 0.000 1.389 213 H HN 0.241 nan 8.280 nan 0.000 0.511 214 F N 0.402 120.205 119.950 -0.246 0.000 2.065 214 F HA -0.303 4.224 4.527 0.000 0.000 0.298 214 F C 2.339 177.942 175.800 -0.328 0.000 1.112 214 F CA 1.983 59.781 58.000 -0.337 0.000 1.212 214 F CB -0.949 37.714 39.000 -0.562 0.000 0.975 214 F HN 0.278 nan 8.300 nan 0.000 0.476 215 C N 0.517 119.613 119.300 -0.339 0.000 2.435 215 C HA 0.023 4.483 4.460 -0.000 0.000 0.279 215 C C 3.117 178.034 174.990 -0.122 0.000 1.321 215 C CA 0.851 59.672 59.018 -0.330 0.000 1.752 215 C CB -1.905 25.578 27.740 -0.430 0.000 1.959 215 C HN 0.669 nan 8.230 nan 0.000 0.500 216 A N 0.344 123.144 122.820 -0.034 0.000 1.872 216 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 216 A C 2.147 179.577 177.584 -0.257 0.000 1.187 216 A CA 1.287 53.248 52.037 -0.126 0.000 0.614 216 A CB -0.549 18.299 19.000 -0.253 0.000 0.826 216 A HN 0.624 nan 8.150 nan 0.000 0.442 217 E N -0.426 119.541 120.200 -0.389 0.000 2.051 217 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 217 E C 1.922 178.335 176.600 -0.313 0.000 0.991 217 E CA 0.989 57.169 56.400 -0.367 0.000 0.799 217 E CB -0.089 29.346 29.700 -0.442 0.000 0.748 217 E HN 0.484 nan 8.360 nan 0.000 0.449 218 R N 0.044 120.287 120.500 -0.428 0.000 2.317 218 R HA 0.159 4.499 4.340 -0.000 0.000 0.208 218 R C -0.061 176.070 176.300 -0.282 0.000 0.914 218 R CA -0.064 55.794 56.100 -0.404 0.000 1.060 218 R CB 0.219 30.118 30.300 -0.669 0.000 1.015 218 R HN 0.086 nan 8.270 nan 0.000 0.498 219 R N 0.155 120.523 120.500 -0.219 0.000 3.333 219 R HA -0.126 4.214 4.340 -0.000 0.000 0.256 219 R C -0.775 175.469 176.300 -0.093 0.000 1.010 219 R CA 0.361 56.391 56.100 -0.117 0.000 0.680 219 R CB -2.272 27.972 30.300 -0.093 0.000 1.102 219 R HN -0.015 nan 8.270 nan 0.000 0.440 220 V N 1.263 121.110 119.914 -0.112 0.000 2.465 220 V HA 0.288 4.408 4.120 -0.000 0.000 0.279 220 V C -1.497 174.606 176.094 0.015 0.000 1.045 220 V CA -1.825 60.448 62.300 -0.045 0.000 0.938 220 V CB 1.501 33.320 31.823 -0.006 0.000 0.986 220 V HN 0.058 nan 8.190 nan 0.000 0.467 221 P HA 0.337 nan 4.420 nan 0.000 0.271 221 P C -1.075 176.264 177.300 0.064 0.000 1.216 221 P CA -0.045 63.074 63.100 0.031 0.000 0.771 221 P CB 0.721 32.430 31.700 0.016 0.000 0.864 222 V N 1.215 121.088 119.914 -0.068 0.000 2.733 222 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 222 V C -0.079 175.934 176.094 -0.135 0.000 1.084 222 V CA -0.466 61.758 62.300 -0.126 0.000 0.905 222 V CB 2.368 33.858 31.823 -0.556 0.000 1.010 222 V HN 0.389 nan 8.190 nan 0.000 0.424 223 D N 2.197 122.568 120.400 -0.048 0.000 2.479 223 D HA 0.281 4.921 4.640 -0.000 0.000 0.216 223 D C -0.161 176.292 176.300 0.255 0.000 1.110 223 D CA 0.963 55.028 54.000 0.109 0.000 0.841 223 D CB 1.433 42.366 40.800 0.221 0.000 1.040 223 D HN 0.594 nan 8.370 nan 0.000 0.505 224 F N -1.340 118.700 119.950 0.150 0.000 2.741 224 F HA 0.521 5.048 4.527 -0.000 0.000 0.311 224 F C -1.649 174.276 175.800 0.208 0.000 1.149 224 F CA -1.381 56.726 58.000 0.179 0.000 0.930 224 F CB 0.789 39.974 39.000 0.308 0.000 1.312 224 F HN -0.389 nan 8.300 nan 0.000 0.450 225 V N 2.161 122.331 119.914 0.428 0.000 2.483 225 V HA 0.778 4.898 4.120 -0.000 0.000 0.295 225 V C -0.407 175.939 176.094 0.420 0.000 1.035 225 V CA -0.239 62.251 62.300 0.316 0.000 0.896 225 V CB 1.559 33.503 31.823 0.202 0.000 0.986 225 V HN 1.049 nan 8.190 nan 0.000 0.447 226 S N 4.329 120.208 115.700 0.298 0.000 2.568 226 S HA 0.982 5.452 4.470 -0.000 0.000 0.293 226 S C -0.780 173.830 174.600 0.017 0.000 1.089 226 S CA -1.001 57.342 58.200 0.239 0.000 0.945 226 S CB 2.718 66.144 63.200 0.377 0.000 1.077 226 S HN 0.949 nan 8.310 nan 0.000 0.485 227 R N 0.367 120.861 120.500 -0.010 0.000 2.664 227 R HA 0.471 4.811 4.340 -0.000 0.000 0.266 227 R C -2.025 174.299 176.300 0.040 0.000 1.046 227 R CA -0.433 55.609 56.100 -0.097 0.000 0.885 227 R CB 0.662 30.934 30.300 -0.047 0.000 1.254 227 R HN 0.941 nan 8.270 nan 0.000 0.465 228 H N 0.717 119.739 119.070 -0.081 0.000 2.533 228 H HA 0.837 5.393 4.556 -0.000 0.000 0.343 228 H C -0.899 174.425 175.328 -0.007 0.000 1.160 228 H CA -1.090 54.912 56.048 -0.078 0.000 1.218 228 H CB 2.234 31.960 29.762 -0.059 0.000 1.566 228 H HN 0.716 nan 8.280 nan 0.000 0.522 229 A N 2.755 125.619 122.820 0.073 0.000 2.414 229 A HA 0.533 4.853 4.320 -0.000 0.000 0.286 229 A C -1.825 175.733 177.584 -0.042 0.000 1.073 229 A CA -0.449 51.671 52.037 0.138 0.000 0.727 229 A CB 0.432 19.628 19.000 0.327 0.000 1.215 229 A HN 0.604 nan 8.150 nan 0.000 0.430 230 Y N 0.039 120.492 120.300 0.254 0.000 2.605 230 Y HA 0.595 5.145 4.550 -0.000 0.000 0.343 230 Y C 1.285 177.322 175.900 0.229 0.000 1.036 230 Y CA 0.043 58.298 58.100 0.260 0.000 1.065 230 Y CB 2.659 41.315 38.460 0.327 0.000 1.288 230 Y HN 0.646 nan 8.280 nan 0.000 0.481 231 T N -3.692 111.076 114.554 0.356 0.000 3.170 231 T HA 0.184 4.534 4.350 -0.000 0.000 0.288 231 T C -0.026 174.776 174.700 0.169 0.000 0.992 231 T CA -0.192 62.056 62.100 0.247 0.000 0.909 231 T CB -0.432 68.586 68.868 0.251 0.000 1.133 231 T HN 0.473 nan 8.240 nan 0.000 0.530 232 S N 1.050 116.826 115.700 0.126 0.000 2.584 232 S HA 0.589 5.059 4.470 -0.000 0.000 0.273 232 S C -0.163 174.477 174.600 0.066 0.000 1.311 232 S CA -0.848 57.347 58.200 -0.008 0.000 1.034 232 S CB 1.446 64.501 63.200 -0.241 0.000 0.939 232 S HN 0.391 nan 8.310 nan 0.000 0.513 233 K N 0.761 121.202 120.400 0.068 0.000 2.148 233 K HA 0.651 4.971 4.320 -0.000 0.000 0.239 233 K C 0.271 176.941 176.600 0.118 0.000 1.018 233 K CA -0.593 55.767 56.287 0.122 0.000 0.923 233 K CB 0.558 33.118 32.500 0.100 0.000 1.117 233 K HN 0.832 nan 8.250 nan 0.000 0.477 234 A N 2.054 124.969 122.820 0.158 0.000 2.531 234 A HA 0.166 4.486 4.320 -0.000 0.000 0.236 234 A C -2.177 175.459 177.584 0.086 0.000 1.062 234 A CA -0.887 51.237 52.037 0.145 0.000 0.760 234 A CB -0.693 18.375 19.000 0.114 0.000 0.995 234 A HN 0.349 nan 8.150 nan 0.000 0.501 235 P HA 0.021 nan 4.420 nan 0.000 0.265 235 P C 0.369 177.670 177.300 0.002 0.000 1.193 235 P CA 0.417 63.486 63.100 -0.050 0.000 0.765 235 P CB 0.250 31.798 31.700 -0.253 0.000 0.823 236 H N 2.291 121.375 119.070 0.023 0.000 2.539 236 H HA 0.310 4.866 4.556 -0.000 0.000 0.269 236 H C 0.101 175.460 175.328 0.051 0.000 0.980 236 H CA 0.125 56.190 56.048 0.028 0.000 1.152 236 H CB 0.696 30.475 29.762 0.028 0.000 1.407 236 H HN 0.303 nan 8.280 nan 0.000 0.564 237 K N 0.987 121.238 120.400 -0.249 0.000 2.575 237 K HA 0.288 4.608 4.320 -0.000 0.000 0.255 237 K C -1.491 175.132 176.600 0.039 0.000 0.953 237 K CA -0.557 55.696 56.287 -0.056 0.000 0.840 237 K CB 2.271 34.764 32.500 -0.012 0.000 1.303 237 K HN 0.049 nan 8.250 nan 0.000 0.438 238 K N 1.871 122.311 120.400 0.068 0.000 2.318 238 K HA 0.456 4.776 4.320 -0.000 0.000 0.249 238 K C -0.746 175.954 176.600 0.167 0.000 0.942 238 K CA -0.911 55.445 56.287 0.116 0.000 0.808 238 K CB 2.317 34.837 32.500 0.034 0.000 1.189 238 K HN 0.445 nan 8.250 nan 0.000 0.428 239 T N 0.735 115.390 114.554 0.169 0.000 2.926 239 T HA 0.245 4.595 4.350 -0.000 0.000 0.289 239 T C 0.699 175.447 174.700 0.079 0.000 1.054 239 T CA -0.713 61.472 62.100 0.141 0.000 1.015 239 T CB 0.425 69.365 68.868 0.120 0.000 1.167 239 T HN 0.554 nan 8.240 nan 0.000 0.526 240 F N 0.468 120.425 119.950 0.013 0.000 2.373 240 F HA 0.108 4.635 4.527 -0.000 0.000 0.300 240 F C 1.519 177.271 175.800 -0.081 0.000 1.080 240 F CA 1.217 59.209 58.000 -0.014 0.000 1.417 240 F CB -0.129 38.859 39.000 -0.019 0.000 1.070 240 F HN 0.556 nan 8.300 nan 0.000 0.546 241 E N -1.877 117.779 120.200 -0.906 0.000 2.391 241 E HA 0.200 4.550 4.350 -0.000 0.000 0.206 241 E C -0.505 175.684 176.600 -0.684 0.000 0.851 241 E CA -0.039 55.699 56.400 -1.104 0.000 1.059 241 E CB 0.420 29.045 29.700 -1.791 0.000 1.065 241 E HN 0.446 nan 8.360 nan 0.000 0.512 242 Y N -0.753 119.346 120.300 -0.336 0.000 2.545 242 Y HA 0.397 4.947 4.550 -0.000 0.000 0.348 242 Y C -0.946 174.851 175.900 -0.172 0.000 1.002 242 Y CA -1.524 56.342 58.100 -0.390 0.000 1.039 242 Y CB 1.435 39.520 38.460 -0.626 0.000 1.271 242 Y HN -0.127 nan 8.280 nan 0.000 0.467 243 Y N 0.990 121.156 120.300 -0.224 0.000 2.377 243 Y HA 0.395 4.945 4.550 -0.000 0.000 0.339 243 Y C -0.985 174.687 175.900 -0.380 0.000 1.011 243 Y CA -2.093 55.871 58.100 -0.226 0.000 1.093 243 Y CB 0.906 39.292 38.460 -0.123 0.000 1.201 243 Y HN 0.468 nan 8.280 nan 0.000 0.455 244 Y N 1.859 122.124 120.300 -0.059 0.000 2.377 244 Y HA 0.558 5.108 4.550 -0.000 0.000 0.339 244 Y C -0.174 175.571 175.900 -0.259 0.000 1.011 244 Y CA -0.708 57.269 58.100 -0.206 0.000 1.093 244 Y CB 1.886 40.158 38.460 -0.314 0.000 1.201 244 Y HN 0.465 nan 8.280 nan 0.000 0.455 245 Q N 1.857 121.716 119.800 0.099 0.000 2.359 245 Q HA 0.304 4.644 4.340 -0.000 0.000 0.274 245 Q C -1.284 174.843 176.000 0.212 0.000 1.074 245 Q CA -1.099 54.800 55.803 0.160 0.000 0.810 245 Q CB 2.844 31.570 28.738 -0.020 0.000 1.342 245 Q HN 0.603 nan 8.270 nan 0.000 0.427 246 E N 1.528 121.846 120.200 0.196 0.000 2.383 246 E HA 0.265 4.615 4.350 -0.000 0.000 0.264 246 E C -0.794 175.834 176.600 0.047 0.000 1.050 246 E CA -0.051 56.390 56.400 0.068 0.000 0.896 246 E CB 0.840 30.535 29.700 -0.008 0.000 0.982 246 E HN 0.312 nan 8.360 nan 0.000 0.424 247 L N 2.544 123.792 121.223 0.042 0.000 2.322 247 L HA 0.315 4.655 4.340 -0.000 0.000 0.281 247 L C 0.025 176.963 176.870 0.113 0.000 1.014 247 L CA -0.718 54.154 54.840 0.054 0.000 0.815 247 L CB 1.612 43.680 42.059 0.014 0.000 1.247 247 L HN 0.472 nan 8.230 nan 0.000 0.421 248 E N 3.425 123.710 120.200 0.140 0.000 2.392 248 E HA 0.189 4.539 4.350 -0.000 0.000 0.259 248 E C -2.244 174.504 176.600 0.247 0.000 1.108 248 E CA -1.158 55.335 56.400 0.155 0.000 0.916 248 E CB 0.470 30.252 29.700 0.136 0.000 0.989 248 E HN 0.293 nan 8.360 nan 0.000 0.432 249 P HA -0.000 nan 4.420 nan 0.000 0.270 249 P C -2.179 175.118 177.300 -0.005 0.000 1.223 249 P CA -1.046 62.111 63.100 0.094 0.000 0.785 249 P CB 0.022 31.736 31.700 0.023 0.000 0.923 250 P HA -0.178 nan 4.420 nan 0.000 0.219 250 P C 1.361 178.537 177.300 -0.207 0.000 1.146 250 P CA 1.384 64.213 63.100 -0.451 0.000 0.808 250 P CB -0.099 31.206 31.700 -0.659 0.000 0.779 251 E N -0.287 119.830 120.200 -0.138 0.000 2.153 251 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 251 E C 1.758 178.307 176.600 -0.086 0.000 0.988 251 E CA 0.851 57.190 56.400 -0.101 0.000 0.811 251 E CB -0.748 28.917 29.700 -0.058 0.000 0.746 251 E HN 0.340 nan 8.360 nan 0.000 0.466 252 D N 0.259 120.637 120.400 -0.037 0.000 2.117 252 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 252 D C 2.084 178.372 176.300 -0.021 0.000 0.987 252 D CA 0.946 54.945 54.000 -0.001 0.000 0.829 252 D CB 0.024 40.860 40.800 0.060 0.000 0.961 252 D HN 0.191 nan 8.370 nan 0.000 0.460 253 M N 0.029 119.601 119.600 -0.047 0.000 2.132 253 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 253 M C 2.229 178.278 176.300 -0.418 0.000 1.065 253 M CA 1.055 56.272 55.300 -0.137 0.000 1.122 253 M CB 0.024 32.557 32.600 -0.112 0.000 1.365 253 M HN -0.019 nan 8.290 nan 0.000 0.411 254 L N -0.101 120.855 121.223 -0.445 0.000 2.141 254 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 254 L C 2.113 178.763 176.870 -0.366 0.000 1.094 254 L CA 1.298 55.835 54.840 -0.505 0.000 0.763 254 L CB -0.696 41.193 42.059 -0.283 0.000 0.908 254 L HN 0.376 nan 8.230 nan 0.000 0.437 255 E N -0.298 119.762 120.200 -0.233 0.000 2.153 255 E HA -0.237 4.112 4.350 -0.000 0.000 0.194 255 E C 2.234 178.777 176.600 -0.096 0.000 0.988 255 E CA 0.919 57.217 56.400 -0.171 0.000 0.811 255 E CB 0.001 29.644 29.700 -0.096 0.000 0.746 255 E HN 0.531 nan 8.360 nan 0.000 0.466 256 Q N -0.190 119.599 119.800 -0.019 0.000 2.020 256 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 256 Q C 1.974 178.086 176.000 0.187 0.000 0.982 256 Q CA 1.279 57.143 55.803 0.101 0.000 0.838 256 Q CB -0.199 28.647 28.738 0.180 0.000 0.899 256 Q HN 0.252 nan 8.270 nan 0.000 0.423 257 F N 1.337 121.212 119.950 -0.125 0.000 2.091 257 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 257 F C 2.291 177.987 175.800 -0.173 0.000 1.103 257 F CA 1.305 59.236 58.000 -0.115 0.000 1.228 257 F CB -0.706 38.247 39.000 -0.080 0.000 0.984 257 F HN 0.054 nan 8.300 nan 0.000 0.477 258 K N -0.351 119.936 120.400 -0.190 0.000 2.062 258 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 258 K C 2.105 178.632 176.600 -0.122 0.000 1.051 258 K CA 1.590 57.664 56.287 -0.356 0.000 0.941 258 K CB -0.312 31.768 32.500 -0.699 0.000 0.719 258 K HN 0.147 nan 8.250 nan 0.000 0.440 259 T N 1.016 115.523 114.554 -0.080 0.000 2.653 259 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 259 T C 1.816 176.523 174.700 0.011 0.000 1.035 259 T CA 1.776 63.864 62.100 -0.021 0.000 1.154 259 T CB -0.167 68.701 68.868 -0.001 0.000 0.862 259 T HN 0.010 nan 8.240 nan 0.000 0.441 260 V N 1.201 121.129 119.914 0.025 0.000 2.323 260 V HA -0.098 4.022 4.120 -0.000 0.000 0.244 260 V C 2.568 178.685 176.094 0.038 0.000 1.041 260 V CA 1.632 63.955 62.300 0.037 0.000 1.025 260 V CB -0.564 31.278 31.823 0.031 0.000 0.656 260 V HN 0.244 nan 8.190 nan 0.000 0.451 261 R N 1.367 121.889 120.500 0.036 0.000 2.103 261 R HA -0.175 4.165 4.340 -0.000 0.000 0.242 261 R C 2.105 178.429 176.300 0.041 0.000 1.142 261 R CA 2.134 58.264 56.100 0.048 0.000 0.960 261 R CB -1.041 29.309 30.300 0.084 0.000 0.858 261 R HN 0.458 nan 8.270 nan 0.000 0.439 262 A N 0.442 123.278 122.820 0.028 0.000 1.877 262 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 262 A C 2.315 179.917 177.584 0.029 0.000 1.186 262 A CA 1.500 53.550 52.037 0.023 0.000 0.620 262 A CB -0.669 18.337 19.000 0.010 0.000 0.822 262 A HN 0.362 nan 8.150 nan 0.000 0.443 263 L N -0.474 120.772 121.223 0.038 0.000 2.034 263 L HA -0.295 4.045 4.340 -0.000 0.000 0.217 263 L C 2.545 179.452 176.870 0.062 0.000 1.077 263 L CA 1.926 56.799 54.840 0.054 0.000 0.769 263 L CB -0.667 41.434 42.059 0.071 0.000 0.890 263 L HN 0.427 nan 8.230 nan 0.000 0.435 264 I N -0.932 119.676 120.570 0.063 0.000 2.226 264 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 264 I C 2.716 178.852 176.117 0.031 0.000 1.100 264 I CA 1.111 62.452 61.300 0.068 0.000 1.374 264 I CB -0.411 37.630 38.000 0.069 0.000 1.057 264 I HN 0.249 nan 8.210 nan 0.000 0.413 265 R N 0.759 121.262 120.500 0.006 0.000 2.120 265 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 265 R C 1.800 178.081 176.300 -0.033 0.000 1.123 265 R CA 1.117 57.194 56.100 -0.038 0.000 0.975 265 R CB -0.368 29.918 30.300 -0.023 0.000 0.866 265 R HN 0.550 nan 8.270 nan 0.000 0.446 266 Q N 0.618 120.418 119.800 -0.001 0.000 2.403 266 Q HA 0.030 4.370 4.340 -0.000 0.000 0.203 266 Q C 0.582 176.591 176.000 0.016 0.000 0.932 266 Q CA 0.067 55.873 55.803 0.005 0.000 0.945 266 Q CB 0.631 29.378 28.738 0.016 0.000 1.045 266 Q HN 0.197 nan 8.270 nan 0.000 0.511 267 S N -0.407 115.312 115.700 0.032 0.000 2.738 267 S HA 0.334 4.804 4.470 -0.000 0.000 0.284 267 S C -2.099 172.516 174.600 0.024 0.000 1.146 267 S CA -1.356 56.883 58.200 0.066 0.000 0.997 267 S CB 0.871 64.152 63.200 0.135 0.000 1.081 267 S HN -0.193 nan 8.310 nan 0.000 0.553 268 P HA 0.215 nan 4.420 nan 0.000 0.242 268 P C -0.646 176.402 177.300 -0.421 0.000 1.197 268 P CA 0.652 63.623 63.100 -0.215 0.000 0.765 268 P CB -0.223 31.294 31.700 -0.305 0.000 0.936 269 F N -0.144 119.793 119.950 -0.022 0.000 2.531 269 F HA 0.327 4.854 4.527 -0.000 0.000 0.333 269 F C -1.487 174.293 175.800 -0.034 0.000 1.292 269 F CA -2.404 55.590 58.000 -0.009 0.000 1.184 269 F CB 0.844 39.843 39.000 -0.002 0.000 1.426 269 F HN -0.106 nan 8.300 nan 0.000 0.559 270 P HA -0.164 nan 4.420 nan 0.000 0.221 270 P C 0.515 177.616 177.300 -0.331 0.000 1.145 270 P CA 1.684 64.665 63.100 -0.199 0.000 0.795 270 P CB 0.067 31.550 31.700 -0.363 0.000 0.775 271 H N -1.809 117.329 119.070 0.113 0.000 2.592 271 H HA 0.281 4.837 4.556 -0.000 0.000 0.279 271 H C 0.788 176.175 175.328 0.098 0.000 1.089 271 H CA -0.538 55.564 56.048 0.090 0.000 1.150 271 H CB -0.206 29.600 29.762 0.075 0.000 1.575 271 H HN 0.024 nan 8.280 nan 0.000 0.547 272 L N 2.837 124.171 121.223 0.185 0.000 2.499 272 L HA 0.085 4.425 4.340 -0.000 0.000 0.273 272 L C -1.859 175.075 176.870 0.107 0.000 1.195 272 L CA -1.730 53.204 54.840 0.157 0.000 0.882 272 L CB 0.488 42.624 42.059 0.129 0.000 1.133 272 L HN 0.023 nan 8.230 nan 0.000 0.483 273 P HA 0.002 nan 4.420 nan 0.000 0.265 273 P C -0.775 176.489 177.300 -0.061 0.000 1.187 273 P CA 0.170 63.242 63.100 -0.045 0.000 0.766 273 P CB 0.504 32.179 31.700 -0.042 0.000 0.820 274 L N 4.218 125.312 121.223 -0.215 0.000 2.333 274 L HA 0.385 4.725 4.340 -0.000 0.000 0.280 274 L C -0.595 176.094 176.870 -0.301 0.000 1.004 274 L CA -0.575 54.185 54.840 -0.132 0.000 0.820 274 L CB 0.800 42.807 42.059 -0.086 0.000 1.247 274 L HN 0.464 nan 8.230 nan 0.000 0.416 275 H N 6.188 125.282 119.070 0.041 0.000 2.589 275 H HA 0.355 4.911 4.556 -0.000 0.000 0.335 275 H C -0.454 174.860 175.328 -0.023 0.000 1.019 275 H CA -0.678 55.368 56.048 -0.003 0.000 1.213 275 H CB 2.476 32.251 29.762 0.022 0.000 1.472 275 H HN 0.388 nan 8.280 nan 0.000 0.508 276 I N 4.160 124.741 120.570 0.020 0.000 2.294 276 I HA -0.033 4.137 4.170 -0.000 0.000 0.295 276 I C 1.622 177.774 176.117 0.058 0.000 1.098 276 I CA 0.089 61.360 61.300 -0.048 0.000 1.277 276 I CB 0.248 38.041 38.000 -0.345 0.000 1.434 276 I HN 0.590 nan 8.210 nan 0.000 0.498 277 T N 1.972 116.555 114.554 0.048 0.000 3.113 277 T HA 0.195 4.545 4.350 -0.000 0.000 0.256 277 T C 0.523 175.079 174.700 -0.240 0.000 1.131 277 T CA 0.207 62.241 62.100 -0.109 0.000 1.074 277 T CB 0.156 68.922 68.868 -0.169 0.000 0.944 277 T HN 0.590 nan 8.240 nan 0.000 0.516 278 E N 0.197 120.213 120.200 -0.307 0.000 2.335 278 E HA 0.524 4.874 4.350 -0.000 0.000 0.280 278 E C -1.823 174.564 176.600 -0.355 0.000 0.918 278 E CA -1.184 54.923 56.400 -0.489 0.000 0.765 278 E CB 2.144 31.166 29.700 -1.130 0.000 1.218 278 E HN 0.526 nan 8.360 nan 0.000 0.425 279 Y N 0.837 120.873 120.300 -0.439 0.000 2.581 279 Y HA 0.740 5.290 4.550 -0.000 0.000 0.337 279 Y C -1.290 174.338 175.900 -0.452 0.000 1.108 279 Y CA -0.620 57.164 58.100 -0.526 0.000 1.033 279 Y CB 1.900 40.364 38.460 0.006 0.000 1.318 279 Y HN 0.654 nan 8.280 nan 0.000 0.459 280 N N -0.709 117.759 118.700 -0.387 0.000 3.356 280 N HA 0.229 4.969 4.740 -0.000 0.000 0.246 280 N C 0.219 175.858 175.510 0.215 0.000 1.480 280 N CA -0.111 52.878 53.050 -0.101 0.000 0.877 280 N CB 1.417 39.822 38.487 -0.137 0.000 1.431 280 N HN 0.902 nan 8.380 nan 0.000 0.500 281 T N -1.593 113.079 114.554 0.198 0.000 2.614 281 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 281 T C 0.995 175.825 174.700 0.217 0.000 1.055 281 T CA 1.051 63.164 62.100 0.022 0.000 1.162 281 T CB -0.443 68.244 68.868 -0.303 0.000 0.863 281 T HN 0.269 nan 8.240 nan 0.000 0.414 282 S N 0.736 116.633 115.700 0.328 0.000 2.489 282 S HA 0.435 4.905 4.470 -0.000 0.000 0.291 282 S C 0.358 175.166 174.600 0.348 0.000 1.151 282 S CA -0.995 57.298 58.200 0.155 0.000 1.082 282 S CB 0.748 63.877 63.200 -0.117 0.000 1.019 282 S HN 0.531 nan 8.310 nan 0.000 0.492 283 Y N 2.646 122.968 120.300 0.037 0.000 2.490 283 Y HA 0.423 4.973 4.550 0.000 0.000 0.281 283 Y C 0.798 176.814 175.900 0.193 0.000 1.174 283 Y CA -0.584 57.285 58.100 -0.385 0.000 1.295 283 Y CB -0.777 37.127 38.460 -0.928 0.000 1.062 283 Y HN 0.434 nan 8.280 nan 0.000 0.522 284 S N 3.035 118.868 115.700 0.221 0.000 2.462 284 S HA 0.364 4.834 4.470 -0.000 0.000 0.294 284 S C -2.041 172.349 174.600 -0.349 0.000 1.144 284 S CA -1.795 56.464 58.200 0.098 0.000 1.088 284 S CB 1.221 64.419 63.200 -0.003 0.000 1.009 284 S HN 0.130 nan 8.310 nan 0.000 0.484 285 P HA 0.197 nan 4.420 nan 0.000 0.255 285 P C 0.290 177.308 177.300 -0.469 0.000 1.357 285 P CA 0.157 62.612 63.100 -1.075 0.000 0.839 285 P CB -0.760 30.570 31.700 -0.617 0.000 1.356 286 I N -4.607 115.751 120.570 -0.352 0.000 3.376 286 I HA 0.423 4.593 4.170 -0.000 0.000 0.326 286 I C -0.404 175.574 176.117 -0.231 0.000 1.538 286 I CA -0.657 60.509 61.300 -0.223 0.000 0.989 286 I CB -0.083 37.759 38.000 -0.262 0.000 1.413 286 I HN -0.279 nan 8.210 nan 0.000 0.547 287 N N 3.137 121.641 118.700 -0.326 0.000 2.457 287 N HA 0.387 5.127 4.740 -0.000 0.000 0.250 287 N C -1.885 173.315 175.510 -0.518 0.000 0.982 287 N CA -2.123 50.666 53.050 -0.435 0.000 0.941 287 N CB 1.936 40.128 38.487 -0.492 0.000 1.120 287 N HN -0.040 nan 8.380 nan 0.000 0.505 288 P HA -0.162 nan 4.420 nan 0.000 0.220 288 P C 1.442 178.424 177.300 -0.530 0.000 1.144 288 P CA 0.850 63.653 63.100 -0.494 0.000 0.800 288 P CB 0.193 31.615 31.700 -0.463 0.000 0.772 289 V N -2.818 116.807 119.914 -0.481 0.000 2.439 289 V HA -0.296 3.824 4.120 -0.000 0.000 0.253 289 V C 2.000 177.852 176.094 -0.403 0.000 1.074 289 V CA 1.992 64.026 62.300 -0.443 0.000 1.076 289 V CB -1.947 29.652 31.823 -0.373 0.000 0.664 289 V HN 0.239 nan 8.190 nan 0.000 0.461 290 H N 0.657 119.558 119.070 -0.282 0.000 2.521 290 H HA -0.003 4.553 4.556 -0.000 0.000 0.286 290 H C 1.556 176.732 175.328 -0.252 0.000 1.034 290 H CA 1.495 57.423 56.048 -0.201 0.000 1.278 290 H CB -0.227 29.423 29.762 -0.187 0.000 1.386 290 H HN 0.561 nan 8.280 nan 0.000 0.567 291 D N 0.656 120.849 120.400 -0.345 0.000 2.339 291 D HA -0.010 4.630 4.640 -0.000 0.000 0.217 291 D C 1.117 177.060 176.300 -0.595 0.000 1.050 291 D CA 0.296 54.015 54.000 -0.468 0.000 0.856 291 D CB 0.394 40.763 40.800 -0.718 0.000 0.922 291 D HN 0.402 nan 8.370 nan 0.000 0.518 292 T N -3.075 111.152 114.554 -0.544 0.000 2.936 292 T HA 0.597 4.947 4.350 -0.000 0.000 0.282 292 T C 1.358 175.986 174.700 -0.121 0.000 1.003 292 T CA -0.469 61.362 62.100 -0.448 0.000 1.005 292 T CB 2.147 70.705 68.868 -0.517 0.000 1.097 292 T HN -0.141 nan 8.240 nan 0.000 0.532 293 A N 0.380 123.198 122.820 -0.004 0.000 2.067 293 A HA 0.105 4.425 4.320 -0.000 0.000 0.219 293 A C 2.126 179.762 177.584 0.085 0.000 1.158 293 A CA 1.120 53.203 52.037 0.078 0.000 0.661 293 A CB -1.036 18.036 19.000 0.120 0.000 0.801 293 A HN 0.910 nan 8.150 nan 0.000 0.452 294 L N 0.109 121.362 121.223 0.050 0.000 2.042 294 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 294 L C 2.185 179.124 176.870 0.116 0.000 1.076 294 L CA 2.178 57.068 54.840 0.084 0.000 0.749 294 L CB -0.429 41.655 42.059 0.042 0.000 0.893 294 L HN 0.518 nan 8.230 nan 0.000 0.432 295 N N -0.489 118.243 118.700 0.052 0.000 2.188 295 N HA -0.184 4.556 4.740 -0.000 0.000 0.184 295 N C 1.785 177.390 175.510 0.159 0.000 1.018 295 N CA 1.227 54.331 53.050 0.089 0.000 0.858 295 N CB 0.032 38.555 38.487 0.060 0.000 0.989 295 N HN 0.539 nan 8.380 nan 0.000 0.426 296 A N 0.999 123.893 122.820 0.123 0.000 1.873 296 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 296 A C 2.337 179.994 177.584 0.122 0.000 1.186 296 A CA 1.738 53.844 52.037 0.115 0.000 0.616 296 A CB -0.841 18.230 19.000 0.119 0.000 0.823 296 A HN 0.400 nan 8.150 nan 0.000 0.442 297 A N -1.921 120.996 122.820 0.163 0.000 1.969 297 A HA -0.081 4.238 4.320 -0.000 0.000 0.218 297 A C 2.109 179.764 177.584 0.118 0.000 1.169 297 A CA 1.512 53.655 52.037 0.177 0.000 0.635 297 A CB -0.725 18.410 19.000 0.225 0.000 0.810 297 A HN 0.703 nan 8.150 nan 0.000 0.445 298 Y N -0.403 119.920 120.300 0.039 0.000 2.163 298 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 298 Y C 1.976 177.854 175.900 -0.035 0.000 1.136 298 Y CA 1.771 59.887 58.100 0.026 0.000 1.147 298 Y CB -0.098 38.404 38.460 0.071 0.000 0.987 298 Y HN 0.243 nan 8.280 nan 0.000 0.509 299 I N 0.386 121.118 120.570 0.270 0.000 2.546 299 I HA -0.211 3.959 4.170 -0.000 0.000 0.255 299 I C 2.537 178.533 176.117 -0.202 0.000 1.163 299 I CA 1.237 62.639 61.300 0.169 0.000 1.457 299 I CB -0.865 37.287 38.000 0.253 0.000 1.092 299 I HN 0.322 nan 8.210 nan 0.000 0.434 300 A N 0.359 122.965 122.820 -0.356 0.000 1.927 300 A HA -0.323 3.997 4.320 -0.000 0.000 0.220 300 A C 2.478 179.381 177.584 -1.135 0.000 1.185 300 A CA 2.305 53.916 52.037 -0.711 0.000 0.639 300 A CB -0.719 17.912 19.000 -0.615 0.000 0.820 300 A HN 0.407 nan 8.150 nan 0.000 0.451 301 R N -0.390 119.490 120.500 -1.032 0.000 2.115 301 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 301 R C 1.799 177.876 176.300 -0.371 0.000 1.111 301 R CA 1.536 57.264 56.100 -0.621 0.000 0.976 301 R CB -0.453 29.718 30.300 -0.215 0.000 0.870 301 R HN 0.563 nan 8.270 nan 0.000 0.445 302 I N 0.415 120.787 120.570 -0.329 0.000 2.252 302 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 302 I C 2.008 178.029 176.117 -0.160 0.000 1.102 302 I CA 1.123 62.265 61.300 -0.264 0.000 1.385 302 I CB -0.217 37.692 38.000 -0.151 0.000 1.064 302 I HN 0.177 nan 8.210 nan 0.000 0.414 303 L N -0.197 120.867 121.223 -0.265 0.000 2.079 303 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 303 L C 2.715 179.461 176.870 -0.208 0.000 1.081 303 L CA 1.536 56.155 54.840 -0.369 0.000 0.752 303 L CB -0.642 40.498 42.059 -1.532 0.000 0.896 303 L HN 0.304 nan 8.230 nan 0.000 0.433 304 S N -0.526 115.031 115.700 -0.237 0.000 2.387 304 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 304 S C 1.728 176.448 174.600 0.199 0.000 1.026 304 S CA 1.464 59.756 58.200 0.154 0.000 0.972 304 S CB 0.112 63.381 63.200 0.115 0.000 0.814 304 S HN 0.489 nan 8.310 nan 0.000 0.477 305 E N -0.909 119.318 120.200 0.044 0.000 2.453 305 E HA 0.214 4.564 4.350 -0.000 0.000 0.211 305 E C 2.047 178.560 176.600 -0.146 0.000 0.897 305 E CA 0.333 56.721 56.400 -0.019 0.000 1.063 305 E CB -0.179 29.509 29.700 -0.019 0.000 1.080 305 E HN 0.536 nan 8.360 nan 0.000 0.512 306 G N 1.305 109.960 108.800 -0.241 0.000 2.513 306 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 306 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 306 G C 1.527 176.242 174.900 -0.309 0.000 1.160 306 G CA 1.016 45.809 45.100 -0.512 0.000 0.767 306 G HN 0.383 nan 8.290 nan 0.000 0.571 307 G N 0.498 109.281 108.800 -0.029 0.000 2.501 307 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 307 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 307 G C 1.322 176.173 174.900 -0.083 0.000 1.114 307 G CA 1.187 46.354 45.100 0.113 0.000 0.757 307 G HN 0.377 nan 8.290 nan 0.000 0.559 308 D N -0.391 119.825 120.400 -0.307 0.000 2.219 308 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 308 D C 1.501 177.505 176.300 -0.492 0.000 0.970 308 D CA 0.879 54.578 54.000 -0.502 0.000 0.851 308 D CB -0.114 40.160 40.800 -0.876 0.000 0.943 308 D HN 0.626 nan 8.370 nan 0.000 0.488 309 Y N -0.447 119.874 120.300 0.035 0.000 2.483 309 Y HA 0.168 4.718 4.550 -0.000 0.000 0.258 309 Y C 0.882 176.770 175.900 -0.019 0.000 1.083 309 Y CA -0.526 57.594 58.100 0.032 0.000 1.283 309 Y CB 0.896 39.411 38.460 0.092 0.000 1.178 309 Y HN -0.227 nan 8.280 nan 0.000 0.515 310 V N -3.348 116.596 119.914 0.050 0.000 2.962 310 V HA 0.446 4.566 4.120 -0.000 0.000 0.313 310 V C -0.640 175.415 176.094 -0.064 0.000 1.099 310 V CA -0.922 61.342 62.300 -0.060 0.000 0.971 310 V CB 2.078 33.776 31.823 -0.209 0.000 1.028 310 V HN -0.064 nan 8.190 nan 0.000 0.430 311 D N 1.689 121.969 120.400 -0.199 0.000 2.234 311 D HA 0.147 4.787 4.640 -0.000 0.000 0.205 311 D C 0.883 177.042 176.300 -0.235 0.000 0.962 311 D CA 1.848 55.668 54.000 -0.299 0.000 0.855 311 D CB 0.213 40.663 40.800 -0.584 0.000 0.951 311 D HN 1.015 nan 8.370 nan 0.000 0.500 312 S N -0.529 115.163 115.700 -0.014 0.000 2.565 312 S HA 0.626 5.096 4.470 -0.000 0.000 0.269 312 S C -1.658 173.162 174.600 0.366 0.000 1.153 312 S CA -1.193 57.138 58.200 0.219 0.000 0.835 312 S CB 1.011 64.413 63.200 0.337 0.000 1.122 312 S HN 0.088 nan 8.310 nan 0.000 0.462 313 F N -0.865 119.176 119.950 0.151 0.000 2.607 313 F HA 0.797 5.324 4.527 -0.000 0.000 0.322 313 F C -0.471 175.594 175.800 0.441 0.000 1.176 313 F CA -1.124 56.974 58.000 0.163 0.000 0.977 313 F CB 1.422 40.397 39.000 -0.043 0.000 1.242 313 F HN 0.592 nan 8.300 nan 0.000 0.465 314 S N 3.827 119.775 115.700 0.414 0.000 2.461 314 S HA 0.325 4.795 4.470 -0.000 0.000 0.322 314 S C -0.993 173.663 174.600 0.092 0.000 1.063 314 S CA -0.396 57.909 58.200 0.175 0.000 1.120 314 S CB -0.102 63.092 63.200 -0.011 0.000 0.968 314 S HN 0.633 nan 8.310 nan 0.000 0.467 315 Y N 5.504 125.702 120.300 -0.170 0.000 2.721 315 Y HA 0.095 4.645 4.550 -0.000 0.000 0.329 315 Y C -0.059 175.612 175.900 -0.382 0.000 1.211 315 Y CA 0.212 57.973 58.100 -0.564 0.000 1.512 315 Y CB 0.335 38.574 38.460 -0.369 0.000 1.249 315 Y HN 0.722 nan 8.280 nan 0.000 0.549 316 W N 9.761 130.376 121.300 -1.142 0.000 2.288 316 W HA 0.368 5.028 4.660 -0.000 0.000 0.325 316 W C -1.092 174.754 176.519 -1.122 0.000 1.019 316 W CA -0.257 56.524 57.345 -0.941 0.000 1.403 316 W CB 0.897 29.822 29.460 -0.893 0.000 1.226 316 W HN 0.752 nan 8.180 nan 0.000 0.391 317 T N 1.374 115.429 114.554 -0.832 0.000 2.812 317 T HA 0.310 4.660 4.350 -0.000 0.000 0.294 317 T C 0.535 175.065 174.700 -0.283 0.000 1.159 317 T CA -0.687 61.011 62.100 -0.671 0.000 1.008 317 T CB 1.133 69.422 68.868 -0.963 0.000 1.289 317 T HN 0.324 nan 8.240 nan 0.000 0.514 318 F N 0.311 120.027 119.950 -0.391 0.000 2.365 318 F HA 0.371 4.898 4.527 0.000 0.000 0.300 318 F C 0.627 176.299 175.800 -0.212 0.000 1.090 318 F CA 0.497 58.312 58.000 -0.309 0.000 1.408 318 F CB -0.227 38.548 39.000 -0.376 0.000 1.060 318 F HN 0.805 nan 8.300 nan 0.000 0.534 319 S N -0.892 114.186 115.700 -1.037 0.000 2.565 319 S HA 0.262 4.732 4.470 -0.000 0.000 0.269 319 S C -0.343 173.965 174.600 -0.486 0.000 1.153 319 S CA -0.714 57.017 58.200 -0.783 0.000 0.835 319 S CB 1.093 63.703 63.200 -0.984 0.000 1.122 319 S HN 0.061 nan 8.310 nan 0.000 0.462 320 D N 1.174 121.427 120.400 -0.245 0.000 2.371 320 D HA 0.090 4.730 4.640 -0.000 0.000 0.221 320 D C 0.447 176.728 176.300 -0.031 0.000 0.986 320 D CA 0.563 54.498 54.000 -0.109 0.000 0.899 320 D CB -0.121 40.669 40.800 -0.016 0.000 0.902 320 D HN 0.386 nan 8.370 nan 0.000 0.530 321 V N 1.963 121.808 119.914 -0.116 0.000 2.400 321 V HA 0.087 4.207 4.120 -0.000 0.000 0.263 321 V C -0.266 175.882 176.094 0.091 0.000 1.026 321 V CA 0.309 62.572 62.300 -0.062 0.000 1.077 321 V CB -0.896 30.857 31.823 -0.117 0.000 1.054 321 V HN -0.045 nan 8.190 nan 0.000 0.477 322 F N 3.124 123.009 119.950 -0.109 0.000 2.690 322 F HA 0.386 4.913 4.527 -0.000 0.000 0.311 322 F C 0.313 176.091 175.800 -0.037 0.000 1.111 322 F CA -0.552 57.405 58.000 -0.071 0.000 1.003 322 F CB 2.097 41.056 39.000 -0.068 0.000 1.283 322 F HN 0.415 nan 8.300 nan 0.000 0.442 323 E N 2.374 122.472 120.200 -0.171 0.000 2.846 323 E HA 0.071 4.421 4.350 -0.000 0.000 0.211 323 E C 0.598 177.288 176.600 0.150 0.000 0.975 323 E CA 0.056 56.469 56.400 0.021 0.000 1.211 323 E CB 0.695 30.482 29.700 0.145 0.000 1.052 323 E HN 0.724 nan 8.360 nan 0.000 0.487 324 E N 0.708 120.863 120.200 -0.076 0.000 2.110 324 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 324 E C 0.941 177.604 176.600 0.105 0.000 0.988 324 E CA 0.915 57.235 56.400 -0.134 0.000 0.804 324 E CB 0.198 29.640 29.700 -0.430 0.000 0.745 324 E HN 0.183 nan 8.360 nan 0.000 0.458 325 M N 1.579 121.241 119.600 0.103 0.000 3.076 325 M HA 0.173 4.653 4.480 -0.000 0.000 0.296 325 M C -0.652 175.570 176.300 -0.129 0.000 1.185 325 M CA -0.082 55.239 55.300 0.034 0.000 0.932 325 M CB 0.041 32.636 32.600 -0.008 0.000 1.288 325 M HN -0.070 nan 8.290 nan 0.000 0.536 326 D N 0.228 120.440 120.400 -0.313 0.000 10.639 326 D HA -0.148 4.492 4.640 -0.000 0.000 0.356 326 D C -0.885 175.149 176.300 -0.443 0.000 3.104 326 D CA 0.284 53.777 54.000 -0.844 0.000 2.568 326 D CB 0.520 40.958 40.800 -0.604 0.000 1.215 326 D HN 0.111 nan 8.370 nan 0.000 0.959 327 V N 2.118 121.777 119.914 -0.424 0.000 2.599 327 V HA 0.225 4.345 4.120 -0.000 0.000 0.300 327 V C -1.444 174.510 176.094 -0.233 0.000 1.034 327 V CA -0.553 61.606 62.300 -0.235 0.000 1.115 327 V CB 0.419 32.150 31.823 -0.152 0.000 0.934 327 V HN 0.421 nan 8.190 nan 0.000 0.485 328 P HA 0.051 nan 4.420 nan 0.000 0.263 328 P C 0.340 177.486 177.300 -0.256 0.000 1.175 328 P CA 0.286 63.064 63.100 -0.536 0.000 0.761 328 P CB 0.344 31.508 31.700 -0.894 0.000 0.794 329 K N 1.325 121.605 120.400 -0.201 0.000 2.393 329 K HA 0.385 4.705 4.320 -0.000 0.000 0.193 329 K C 0.518 177.079 176.600 -0.065 0.000 1.026 329 K CA 0.141 56.415 56.287 -0.022 0.000 1.064 329 K CB 0.485 32.962 32.500 -0.039 0.000 0.833 329 K HN 0.520 nan 8.250 nan 0.000 0.521 330 A N 0.113 122.883 122.820 -0.083 0.000 2.599 330 A HA 0.235 4.555 4.320 -0.000 0.000 0.290 330 A C 0.269 177.830 177.584 -0.040 0.000 1.101 330 A CA -0.732 51.259 52.037 -0.076 0.000 0.674 330 A CB 0.402 19.498 19.000 0.159 0.000 1.277 330 A HN 0.026 nan 8.150 nan 0.000 0.419 331 L N -0.325 120.824 121.223 -0.123 0.000 1.956 331 L HA -0.050 4.290 4.340 -0.000 0.000 0.216 331 L C 0.102 176.596 176.870 -0.626 0.000 1.073 331 L CA 1.909 56.525 54.840 -0.373 0.000 0.762 331 L CB -0.305 41.448 42.059 -0.510 0.000 0.889 331 L HN 0.674 nan 8.230 nan 0.000 0.433 332 F N 0.140 119.667 119.950 -0.706 0.000 2.391 332 F HA 0.192 4.719 4.527 -0.000 0.000 0.359 332 F C 0.993 176.590 175.800 -0.338 0.000 1.122 332 F CA -0.516 57.101 58.000 -0.639 0.000 1.120 332 F CB 0.698 39.193 39.000 -0.841 0.000 1.142 332 F HN 0.196 nan 8.300 nan 0.000 0.483 333 H N 1.271 120.316 119.070 -0.042 0.000 2.885 333 H HA 0.331 4.887 4.556 -0.000 0.000 0.254 333 H C 1.104 176.451 175.328 0.031 0.000 1.185 333 H CA 0.049 56.132 56.048 0.058 0.000 1.029 333 H CB 0.524 30.250 29.762 -0.060 0.000 1.743 333 H HN 0.804 nan 8.280 nan 0.000 0.632 334 G N 0.885 109.497 108.800 -0.314 0.000 2.132 334 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.234 334 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.234 334 G C 0.672 175.388 174.900 -0.307 0.000 0.989 334 G CA 0.037 44.961 45.100 -0.294 0.000 0.676 334 G HN 0.851 nan 8.290 nan 0.000 0.522 335 G N -1.085 107.347 108.800 -0.614 0.000 2.594 335 G HA2 0.466 4.426 3.960 -0.000 0.000 0.243 335 G HA3 0.466 4.426 3.960 -0.000 0.000 0.243 335 G C 0.753 175.366 174.900 -0.478 0.000 1.229 335 G CA -0.275 44.506 45.100 -0.531 0.000 0.843 335 G HN 0.235 nan 8.290 nan 0.000 0.578 336 F N 0.860 120.456 119.950 -0.590 0.000 2.604 336 F HA 0.107 4.634 4.527 0.000 0.000 0.298 336 F C 2.271 177.736 175.800 -0.560 0.000 1.131 336 F CA 0.160 57.663 58.000 -0.828 0.000 1.457 336 F CB 0.100 38.521 39.000 -0.966 0.000 1.095 336 F HN 0.488 nan 8.300 nan 0.000 0.574 337 G N 0.400 109.039 108.800 -0.270 0.000 2.441 337 G HA2 0.206 4.166 3.960 -0.000 0.000 0.243 337 G HA3 0.206 4.166 3.960 -0.000 0.000 0.243 337 G C 0.848 175.691 174.900 -0.095 0.000 1.281 337 G CA -0.522 44.435 45.100 -0.239 0.000 0.854 337 G HN 0.217 nan 8.290 nan 0.000 0.560 338 L N 1.298 122.488 121.223 -0.055 0.000 2.141 338 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 338 L C 0.661 177.486 176.870 -0.075 0.000 1.094 338 L CA 0.642 55.461 54.840 -0.034 0.000 0.763 338 L CB -0.376 41.664 42.059 -0.032 0.000 0.908 338 L HN 0.191 nan 8.230 nan 0.000 0.437 339 V N -0.005 119.789 119.914 -0.200 0.000 2.417 339 V HA 0.562 4.682 4.120 -0.000 0.000 0.291 339 V C 0.343 176.199 176.094 -0.396 0.000 1.024 339 V CA -0.892 61.175 62.300 -0.388 0.000 0.861 339 V CB 1.353 32.842 31.823 -0.558 0.000 0.985 339 V HN 0.145 nan 8.190 nan 0.000 0.436 340 A N 4.919 127.524 122.820 -0.359 0.000 2.287 340 A HA 0.736 5.056 4.320 -0.000 0.000 0.273 340 A C 0.057 177.446 177.584 -0.324 0.000 1.091 340 A CA -0.556 51.280 52.037 -0.334 0.000 0.817 340 A CB 0.235 18.965 19.000 -0.451 0.000 1.069 340 A HN 0.839 nan 8.150 nan 0.000 0.492 341 L N 0.382 121.487 121.223 -0.196 0.000 2.516 341 L HA 0.041 4.381 4.340 -0.000 0.000 0.288 341 L C 0.783 177.533 176.870 -0.201 0.000 1.246 341 L CA 0.956 55.697 54.840 -0.165 0.000 0.844 341 L CB -0.300 41.582 42.059 -0.294 0.000 1.106 341 L HN 1.056 nan 8.230 nan 0.000 0.509 342 H N 0.111 119.201 119.070 0.034 0.000 3.237 342 H HA -0.192 4.364 4.556 0.000 0.000 0.231 342 H C 0.845 176.129 175.328 -0.073 0.000 1.148 342 H CA 0.422 56.466 56.048 -0.007 0.000 1.155 342 H CB -1.541 28.197 29.762 -0.040 0.000 1.210 342 H HN 0.724 nan 8.280 nan 0.000 0.317 343 S N -1.473 114.138 115.700 -0.147 0.000 3.635 343 S HA -0.210 4.260 4.470 -0.000 0.000 0.328 343 S C 0.382 174.816 174.600 -0.275 0.000 1.135 343 S CA 0.834 58.843 58.200 -0.318 0.000 0.942 343 S CB -1.327 61.812 63.200 -0.102 0.000 0.930 343 S HN 0.530 nan 8.310 nan 0.000 0.512 344 I N 2.987 123.412 120.570 -0.243 0.000 2.322 344 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 344 I C -1.759 174.202 176.117 -0.259 0.000 1.060 344 I CA -2.102 59.101 61.300 -0.162 0.000 1.309 344 I CB 0.646 38.615 38.000 -0.050 0.000 1.415 344 I HN -0.046 nan 8.210 nan 0.000 0.492 345 P HA 0.146 nan 4.420 nan 0.000 0.271 345 P C -0.818 176.359 177.300 -0.206 0.000 1.216 345 P CA -0.317 62.438 63.100 -0.576 0.000 0.776 345 P CB 0.776 31.870 31.700 -1.011 0.000 0.881 346 K N 3.708 124.028 120.400 -0.134 0.000 2.098 346 K HA 0.230 4.550 4.320 -0.000 0.000 0.244 346 K C -1.642 174.959 176.600 0.002 0.000 1.014 346 K CA -1.715 54.578 56.287 0.009 0.000 0.917 346 K CB -0.326 32.189 32.500 0.026 0.000 1.072 346 K HN 0.170 nan 8.250 nan 0.000 0.477 347 P HA -0.199 nan 4.420 nan 0.000 0.217 347 P C 0.804 178.161 177.300 0.094 0.000 1.151 347 P CA 1.569 64.767 63.100 0.163 0.000 0.849 347 P CB 0.081 31.860 31.700 0.130 0.000 0.787 348 T N -1.234 113.355 114.554 0.057 0.000 2.788 348 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 348 T C 1.432 176.177 174.700 0.074 0.000 1.044 348 T CA 0.914 63.045 62.100 0.051 0.000 1.139 348 T CB -1.132 67.751 68.868 0.026 0.000 0.867 348 T HN 0.068 nan 8.240 nan 0.000 0.454 349 F N 1.954 121.802 119.950 -0.169 0.000 2.087 349 F HA -0.281 4.246 4.527 0.000 0.000 0.299 349 F C 2.234 177.894 175.800 -0.232 0.000 1.100 349 F CA 1.792 59.653 58.000 -0.231 0.000 1.226 349 F CB -0.440 38.330 39.000 -0.383 0.000 0.983 349 F HN 0.338 nan 8.300 nan 0.000 0.479 350 H N -0.713 118.367 119.070 0.016 0.000 2.423 350 H HA 0.007 4.563 4.556 -0.000 0.000 0.297 350 H C 2.366 177.259 175.328 -0.725 0.000 1.075 350 H CA 0.760 56.549 56.048 -0.432 0.000 1.342 350 H CB -0.412 29.086 29.762 -0.440 0.000 1.395 350 H HN 0.380 nan 8.280 nan 0.000 0.530 351 A N 0.962 123.651 122.820 -0.218 0.000 1.892 351 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 351 A C 1.901 179.436 177.584 -0.083 0.000 1.188 351 A CA 1.637 53.617 52.037 -0.094 0.000 0.631 351 A CB -0.998 17.968 19.000 -0.057 0.000 0.822 351 A HN 0.322 nan 8.150 nan 0.000 0.447 352 F N 0.815 120.669 119.950 -0.159 0.000 2.095 352 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 352 F C 3.050 178.818 175.800 -0.054 0.000 1.104 352 F CA 2.073 60.028 58.000 -0.075 0.000 1.232 352 F CB -0.836 38.088 39.000 -0.126 0.000 0.987 352 F HN 0.405 nan 8.300 nan 0.000 0.475 353 T N -1.945 112.550 114.554 -0.099 0.000 2.867 353 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 353 T C 2.001 176.812 174.700 0.186 0.000 1.057 353 T CA 1.139 63.218 62.100 -0.034 0.000 1.136 353 T CB -1.208 67.602 68.868 -0.098 0.000 0.874 353 T HN 0.317 nan 8.240 nan 0.000 0.466 354 F N 0.193 120.187 119.950 0.074 0.000 2.126 354 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 354 F C 2.143 177.881 175.800 -0.103 0.000 1.096 354 F CA 0.675 58.676 58.000 0.001 0.000 1.255 354 F CB -0.487 38.513 39.000 0.000 0.000 0.997 354 F HN 0.116 nan 8.300 nan 0.000 0.479 355 F N 0.440 120.324 119.950 -0.110 0.000 2.407 355 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 355 F C 2.038 177.712 175.800 -0.210 0.000 1.097 355 F CA 0.965 58.690 58.000 -0.459 0.000 1.422 355 F CB -0.703 37.582 39.000 -1.191 0.000 1.067 355 F HN -0.095 nan 8.300 nan 0.000 0.539 356 N N 0.352 119.218 118.700 0.277 0.000 2.381 356 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 356 N C 1.663 177.327 175.510 0.255 0.000 1.025 356 N CA 0.992 54.308 53.050 0.443 0.000 0.888 356 N CB -0.143 38.554 38.487 0.350 0.000 0.965 356 N HN 0.167 nan 8.380 nan 0.000 0.438 357 A N -0.141 122.778 122.820 0.165 0.000 2.208 357 A HA 0.175 4.495 4.320 -0.000 0.000 0.209 357 A C 0.723 178.349 177.584 0.070 0.000 1.161 357 A CA -0.105 51.994 52.037 0.105 0.000 0.782 357 A CB -0.244 18.799 19.000 0.071 0.000 0.816 357 A HN 0.223 nan 8.150 nan 0.000 0.477 358 L N -0.213 121.051 121.223 0.069 0.000 2.467 358 L HA 0.339 4.679 4.340 -0.000 0.000 0.270 358 L C 1.263 178.218 176.870 0.141 0.000 1.205 358 L CA -0.261 54.605 54.840 0.042 0.000 0.828 358 L CB 0.370 42.415 42.059 -0.023 0.000 1.101 358 L HN 0.323 nan 8.230 nan 0.000 0.479 359 G N 0.050 108.916 108.800 0.111 0.000 2.537 359 G HA2 0.121 4.081 3.960 -0.000 0.000 0.297 359 G HA3 0.121 4.081 3.960 -0.000 0.000 0.297 359 G C 0.199 175.221 174.900 0.204 0.000 1.310 359 G CA -0.353 44.829 45.100 0.137 0.000 1.027 359 G HN 0.679 nan 8.290 nan 0.000 0.505 360 D N -0.834 119.668 120.400 0.171 0.000 2.137 360 D HA -0.042 4.598 4.640 -0.000 0.000 0.202 360 D C 0.976 177.380 176.300 0.172 0.000 0.970 360 D CA 0.758 54.866 54.000 0.180 0.000 0.837 360 D CB 0.197 41.070 40.800 0.122 0.000 0.981 360 D HN 0.545 nan 8.370 nan 0.000 0.475 361 E N 1.321 121.595 120.200 0.123 0.000 2.223 361 E HA 0.091 4.441 4.350 -0.000 0.000 0.282 361 E C -0.581 176.074 176.600 0.091 0.000 1.046 361 E CA -0.299 56.160 56.400 0.098 0.000 0.857 361 E CB 0.558 30.299 29.700 0.069 0.000 1.055 361 E HN -0.023 nan 8.360 nan 0.000 0.409 362 L N 7.469 128.750 121.223 0.095 0.000 2.260 362 L HA 0.175 4.515 4.340 -0.000 0.000 0.289 362 L C 0.256 177.154 176.870 0.047 0.000 1.057 362 L CA -0.028 54.855 54.840 0.071 0.000 0.811 362 L CB 0.875 42.994 42.059 0.100 0.000 1.184 362 L HN 0.909 nan 8.230 nan 0.000 0.429 363 L N 6.387 127.634 121.223 0.041 0.000 2.286 363 L HA 0.138 4.478 4.340 -0.000 0.000 0.203 363 L C -0.401 176.545 176.870 0.126 0.000 1.068 363 L CA 0.291 55.169 54.840 0.063 0.000 0.811 363 L CB 0.131 42.218 42.059 0.046 0.000 0.989 363 L HN 0.533 nan 8.230 nan 0.000 0.467 364 Y N -0.160 120.108 120.300 -0.052 0.000 2.521 364 Y HA 0.532 5.082 4.550 -0.000 0.000 0.332 364 Y C -1.069 174.790 175.900 -0.068 0.000 1.121 364 Y CA -1.163 56.903 58.100 -0.057 0.000 1.037 364 Y CB 1.369 39.786 38.460 -0.072 0.000 1.330 364 Y HN -0.147 nan 8.280 nan 0.000 0.452 365 R N 4.192 124.203 120.500 -0.815 0.000 2.548 365 R HA 0.460 4.800 4.340 -0.000 0.000 0.280 365 R C -1.909 173.992 176.300 -0.665 0.000 1.061 365 R CA -0.453 55.320 56.100 -0.545 0.000 0.915 365 R CB 1.430 31.591 30.300 -0.231 0.000 1.210 365 R HN 0.901 nan 8.270 nan 0.000 0.442 366 D N 1.679 121.858 120.400 -0.369 0.000 2.837 366 D HA 0.235 4.875 4.640 -0.000 0.000 0.294 366 D C 0.786 177.047 176.300 -0.065 0.000 1.158 366 D CA -0.427 53.451 54.000 -0.203 0.000 1.073 366 D CB 0.135 40.867 40.800 -0.114 0.000 1.419 366 D HN 0.430 nan 8.370 nan 0.000 0.584 367 G N -1.272 107.509 108.800 -0.032 0.000 2.559 367 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.216 367 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.216 367 G C 0.750 175.655 174.900 0.009 0.000 1.126 367 G CA 0.458 45.592 45.100 0.056 0.000 0.778 367 G HN 0.496 nan 8.290 nan 0.000 0.543 368 E N -1.070 118.899 120.200 -0.386 0.000 2.641 368 E HA 0.328 4.678 4.350 -0.000 0.000 0.224 368 E C 0.330 175.886 176.600 -1.740 0.000 0.951 368 E CA -0.198 55.539 56.400 -1.105 0.000 1.102 368 E CB 0.503 29.850 29.700 -0.589 0.000 1.091 368 E HN 0.582 nan 8.360 nan 0.000 0.507 369 M N -1.045 117.822 119.600 -1.222 0.000 2.694 369 M HA 0.485 4.965 4.480 -0.000 0.000 0.276 369 M C -1.992 174.161 176.300 -0.245 0.000 1.167 369 M CA -0.952 53.841 55.300 -0.845 0.000 0.849 369 M CB 1.952 34.306 32.600 -0.411 0.000 1.705 369 M HN -0.055 nan 8.290 nan 0.000 0.504 370 I N 2.025 122.534 120.570 -0.101 0.000 2.619 370 I HA 0.797 4.967 4.170 -0.000 0.000 0.292 370 I C -1.856 174.175 176.117 -0.144 0.000 1.100 370 I CA -0.907 60.330 61.300 -0.104 0.000 1.043 370 I CB 2.276 40.172 38.000 -0.175 0.000 1.239 370 I HN 0.676 nan 8.210 nan 0.000 0.420 371 V N 5.506 125.371 119.914 -0.082 0.000 2.531 371 V HA 0.645 4.765 4.120 -0.000 0.000 0.301 371 V C -0.075 175.984 176.094 -0.058 0.000 1.034 371 V CA -0.361 61.902 62.300 -0.061 0.000 0.865 371 V CB 1.692 33.522 31.823 0.011 0.000 0.995 371 V HN 0.848 nan 8.190 nan 0.000 0.424 372 T N 1.773 116.284 114.554 -0.070 0.000 2.887 372 T HA 0.829 5.179 4.350 -0.000 0.000 0.292 372 T C -0.705 173.992 174.700 -0.004 0.000 1.087 372 T CA -1.007 61.076 62.100 -0.027 0.000 1.009 372 T CB 2.482 71.338 68.868 -0.021 0.000 1.203 372 T HN 0.623 nan 8.240 nan 0.000 0.518 373 R N 0.282 120.797 120.500 0.025 0.000 2.437 373 R HA 0.629 4.969 4.340 -0.000 0.000 0.310 373 R C -0.470 175.861 176.300 0.052 0.000 0.955 373 R CA -0.628 55.492 56.100 0.034 0.000 0.851 373 R CB 1.024 31.345 30.300 0.034 0.000 1.161 373 R HN 0.714 nan 8.270 nan 0.000 0.446 374 R N 2.562 123.093 120.500 0.052 0.000 2.543 374 R HA 0.245 4.585 4.340 -0.000 0.000 0.268 374 R C 0.755 177.089 176.300 0.057 0.000 1.067 374 R CA -0.598 55.537 56.100 0.059 0.000 1.142 374 R CB 0.739 31.072 30.300 0.055 0.000 1.110 374 R HN 0.600 nan 8.270 nan 0.000 0.549 375 K N 0.902 121.335 120.400 0.056 0.000 2.113 375 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 375 K C 0.969 177.596 176.600 0.046 0.000 1.047 375 K CA 2.185 58.501 56.287 0.049 0.000 0.928 375 K CB -0.134 32.392 32.500 0.044 0.000 0.716 375 K HN 0.648 nan 8.250 nan 0.000 0.446 376 D N -1.283 119.144 120.400 0.044 0.000 2.378 376 D HA -0.001 4.639 4.640 -0.000 0.000 0.227 376 D C 1.067 177.401 176.300 0.057 0.000 1.012 376 D CA 0.824 54.848 54.000 0.039 0.000 0.905 376 D CB 0.107 40.924 40.800 0.028 0.000 0.895 376 D HN 0.298 nan 8.370 nan 0.000 0.532 377 G N -0.187 108.656 108.800 0.072 0.000 2.225 377 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 377 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 377 G C 0.558 175.536 174.900 0.131 0.000 0.988 377 G CA 0.449 45.614 45.100 0.108 0.000 0.625 377 G HN 0.848 nan 8.290 nan 0.000 0.527 378 S N -0.305 115.455 115.700 0.101 0.000 2.624 378 S HA 0.737 5.207 4.470 -0.000 0.000 0.263 378 S C 0.186 174.824 174.600 0.063 0.000 1.287 378 S CA -0.375 57.886 58.200 0.101 0.000 0.990 378 S CB 1.844 65.087 63.200 0.072 0.000 0.950 378 S HN 0.612 nan 8.310 nan 0.000 0.561 379 I N 0.767 121.362 120.570 0.043 0.000 2.530 379 I HA 0.636 4.806 4.170 -0.000 0.000 0.297 379 I C -0.135 175.965 176.117 -0.027 0.000 1.011 379 I CA -0.678 60.623 61.300 0.002 0.000 1.107 379 I CB 1.877 39.868 38.000 -0.015 0.000 1.285 379 I HN 0.898 nan 8.210 nan 0.000 0.436 380 A N 4.993 127.784 122.820 -0.049 0.000 2.359 380 A HA 0.924 5.244 4.320 -0.000 0.000 0.303 380 A C -1.047 176.458 177.584 -0.133 0.000 1.066 380 A CA -0.489 51.496 52.037 -0.087 0.000 0.730 380 A CB 1.453 20.413 19.000 -0.066 0.000 1.211 380 A HN 0.761 nan 8.150 nan 0.000 0.439 381 A N 1.787 124.507 122.820 -0.167 0.000 2.393 381 A HA 0.734 5.054 4.320 -0.000 0.000 0.306 381 A C -1.031 176.413 177.584 -0.233 0.000 1.050 381 A CA -0.476 51.447 52.037 -0.191 0.000 0.724 381 A CB 1.482 20.390 19.000 -0.153 0.000 1.248 381 A HN 1.180 nan 8.150 nan 0.000 0.424 382 V N 3.547 123.306 119.914 -0.259 0.000 2.459 382 V HA 0.511 4.631 4.120 -0.000 0.000 0.295 382 V C -0.317 175.768 176.094 -0.014 0.000 1.029 382 V CA -0.325 61.863 62.300 -0.186 0.000 0.874 382 V CB 1.202 32.769 31.823 -0.426 0.000 0.985 382 V HN 0.748 nan 8.190 nan 0.000 0.438 383 L N 4.254 125.483 121.223 0.010 0.000 2.341 383 L HA 0.748 5.088 4.340 -0.000 0.000 0.267 383 L C -0.956 176.014 176.870 0.167 0.000 1.009 383 L CA -0.576 54.193 54.840 -0.120 0.000 0.819 383 L CB 2.109 44.057 42.059 -0.184 0.000 1.323 383 L HN 0.887 nan 8.230 nan 0.000 0.425 384 W N 0.354 121.666 121.300 0.021 0.000 3.107 384 W HA 0.509 5.169 4.660 -0.000 0.000 0.331 384 W C -0.966 175.577 176.519 0.040 0.000 1.204 384 W CA -0.810 56.568 57.345 0.055 0.000 1.184 384 W CB 1.281 30.792 29.460 0.085 0.000 1.421 384 W HN 0.451 nan 8.180 nan 0.000 0.544 385 N N 3.288 122.119 118.700 0.217 0.000 2.841 385 N HA 0.188 4.928 4.740 -0.000 0.000 0.257 385 N C -1.329 174.281 175.510 0.167 0.000 1.396 385 N CA -0.404 52.718 53.050 0.119 0.000 0.823 385 N CB 0.642 39.170 38.487 0.068 0.000 1.162 385 N HN 0.626 nan 8.380 nan 0.000 0.503 386 L N 3.412 124.762 121.223 0.212 0.000 2.360 386 L HA 0.321 4.661 4.340 -0.000 0.000 0.276 386 L C -0.896 176.048 176.870 0.123 0.000 1.121 386 L CA -0.026 54.924 54.840 0.184 0.000 0.845 386 L CB 0.967 43.132 42.059 0.177 0.000 1.143 386 L HN 0.155 nan 8.230 nan 0.000 0.452 387 V N 7.077 127.059 119.914 0.114 0.000 2.419 387 V HA 0.184 4.304 4.120 -0.000 0.000 0.287 387 V C 0.719 176.866 176.094 0.088 0.000 1.017 387 V CA -0.339 62.012 62.300 0.085 0.000 0.844 387 V CB 1.635 33.499 31.823 0.068 0.000 1.011 387 V HN 0.892 nan 8.190 nan 0.000 0.429 388 M N 1.640 121.291 119.600 0.086 0.000 2.506 388 M HA 0.116 4.596 4.480 -0.000 0.000 0.260 388 M C 1.022 177.358 176.300 0.060 0.000 1.104 388 M CA 0.614 55.967 55.300 0.089 0.000 1.112 388 M CB 0.197 32.861 32.600 0.108 0.000 1.401 388 M HN 0.700 nan 8.290 nan 0.000 0.473 389 E N 1.103 121.331 120.200 0.047 0.000 2.371 389 E HA 0.087 4.437 4.350 -0.000 0.000 0.257 389 E C 0.104 176.723 176.600 0.031 0.000 1.134 389 E CA -0.206 56.213 56.400 0.032 0.000 0.919 389 E CB 0.486 30.201 29.700 0.025 0.000 1.025 389 E HN 0.142 nan 8.360 nan 0.000 0.438 390 K N 0.774 121.186 120.400 0.021 0.000 2.439 390 K HA -0.002 4.318 4.320 -0.000 0.000 0.197 390 K C 1.092 177.703 176.600 0.019 0.000 1.041 390 K CA 0.576 56.875 56.287 0.019 0.000 0.970 390 K CB -0.514 31.992 32.500 0.010 0.000 0.773 390 K HN 0.679 nan 8.250 nan 0.000 0.479 391 G N 2.358 111.169 108.800 0.018 0.000 3.185 391 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.230 391 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.230 391 G C 0.551 175.460 174.900 0.015 0.000 1.240 391 G CA 0.159 45.268 45.100 0.015 0.000 0.859 391 G HN 0.365 nan 8.290 nan 0.000 0.589 392 E N 0.427 120.633 120.200 0.010 0.000 2.490 392 E HA 0.183 4.533 4.350 -0.000 0.000 0.209 392 E C 0.955 177.558 176.600 0.004 0.000 0.971 392 E CA 0.575 56.979 56.400 0.006 0.000 0.988 392 E CB 0.495 30.196 29.700 0.001 0.000 1.029 392 E HN 0.775 nan 8.360 nan 0.000 0.496 393 G N 1.767 110.571 108.800 0.007 0.000 4.341 393 G HA2 0.366 4.326 3.960 -0.000 0.000 0.252 393 G HA3 0.366 4.326 3.960 -0.000 0.000 0.252 393 G C -0.946 173.958 174.900 0.007 0.000 2.181 393 G CA -0.482 44.621 45.100 0.005 0.000 0.602 393 G HN 0.016 nan 8.290 nan 0.000 0.346 394 L N 2.491 123.721 121.223 0.013 0.000 2.843 394 L HA 0.358 4.698 4.340 -0.000 0.000 0.234 394 L C 1.205 178.084 176.870 0.015 0.000 1.264 394 L CA -0.560 54.288 54.840 0.014 0.000 1.052 394 L CB 0.495 42.566 42.059 0.020 0.000 1.372 394 L HN 0.418 nan 8.230 nan 0.000 0.466 395 T N -1.676 112.884 114.554 0.010 0.000 2.860 395 T HA 0.482 4.832 4.350 -0.000 0.000 0.299 395 T C 0.047 174.747 174.700 0.000 0.000 1.045 395 T CA -0.521 61.584 62.100 0.008 0.000 1.071 395 T CB 1.398 70.269 68.868 0.005 0.000 0.985 395 T HN 0.291 nan 8.240 nan 0.000 0.537 396 K N 1.520 121.917 120.400 -0.005 0.000 2.578 396 K HA 0.413 4.732 4.320 -0.000 0.000 0.250 396 K C -1.062 175.521 176.600 -0.029 0.000 0.955 396 K CA -0.389 55.886 56.287 -0.019 0.000 0.825 396 K CB 1.519 34.004 32.500 -0.026 0.000 1.151 396 K HN 0.731 nan 8.250 nan 0.000 0.432 397 E N 2.192 122.373 120.200 -0.032 0.000 2.259 397 E HA 0.351 4.701 4.350 -0.000 0.000 0.281 397 E C -0.955 175.613 176.600 -0.053 0.000 1.027 397 E CA -0.695 55.682 56.400 -0.038 0.000 0.838 397 E CB 1.511 31.191 29.700 -0.032 0.000 1.066 397 E HN 0.338 nan 8.360 nan 0.000 0.401 398 V N 3.635 123.511 119.914 -0.064 0.000 2.531 398 V HA 0.246 4.366 4.120 -0.000 0.000 0.301 398 V C -0.662 175.387 176.094 -0.076 0.000 1.034 398 V CA -0.890 61.361 62.300 -0.082 0.000 0.865 398 V CB 1.745 33.503 31.823 -0.109 0.000 0.995 398 V HN 0.631 nan 8.190 nan 0.000 0.424 399 Q N 3.506 123.261 119.800 -0.074 0.000 2.325 399 Q HA 0.668 5.008 4.340 -0.000 0.000 0.262 399 Q C -1.272 174.677 176.000 -0.086 0.000 0.968 399 Q CA -0.316 55.451 55.803 -0.060 0.000 0.877 399 Q CB 1.903 30.619 28.738 -0.037 0.000 1.253 399 Q HN 0.540 nan 8.270 nan 0.000 0.448 400 L N 2.562 123.731 121.223 -0.091 0.000 2.325 400 L HA 0.566 4.906 4.340 -0.000 0.000 0.278 400 L C -0.967 175.829 176.870 -0.123 0.000 1.023 400 L CA -0.555 54.204 54.840 -0.135 0.000 0.811 400 L CB 2.136 44.105 42.059 -0.150 0.000 1.249 400 L HN 0.405 nan 8.230 nan 0.000 0.431 401 V N 5.043 124.857 119.914 -0.166 0.000 2.305 401 V HA 0.410 4.530 4.120 -0.000 0.000 0.275 401 V C -0.190 175.764 176.094 -0.234 0.000 1.020 401 V CA -0.510 61.652 62.300 -0.229 0.000 0.811 401 V CB 1.182 32.904 31.823 -0.167 0.000 1.031 401 V HN 0.418 nan 8.190 nan 0.000 0.439 402 I N 6.968 127.394 120.570 -0.240 0.000 2.312 402 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 402 I C -2.158 173.832 176.117 -0.211 0.000 1.008 402 I CA -2.288 58.895 61.300 -0.195 0.000 1.226 402 I CB 1.706 39.611 38.000 -0.158 0.000 1.371 402 I HN 0.314 nan 8.210 nan 0.000 0.468 403 P HA 0.209 nan 4.420 nan 0.000 0.271 403 P C -0.542 176.606 177.300 -0.253 0.000 1.218 403 P CA -0.121 62.863 63.100 -0.194 0.000 0.780 403 P CB 1.909 33.518 31.700 -0.151 0.000 0.901 404 V N 2.142 121.877 119.914 -0.298 0.000 2.739 404 V HA 0.021 4.141 4.120 -0.000 0.000 0.293 404 V C 1.157 176.985 176.094 -0.444 0.000 1.199 404 V CA -0.103 61.898 62.300 -0.499 0.000 0.931 404 V CB 1.777 33.358 31.823 -0.403 0.000 1.052 404 V HN 0.669 nan 8.190 nan 0.000 0.441 405 S N 4.331 119.689 115.700 -0.570 0.000 2.470 405 S HA 0.140 4.610 4.470 -0.000 0.000 0.225 405 S C 0.755 175.323 174.600 -0.053 0.000 1.006 405 S CA 0.319 58.374 58.200 -0.242 0.000 0.934 405 S CB -0.187 62.938 63.200 -0.126 0.000 0.778 405 S HN 0.489 nan 8.310 nan 0.000 0.517 406 F N 2.652 122.596 119.950 -0.010 0.000 2.514 406 F HA 0.382 4.909 4.527 -0.000 0.000 0.309 406 F C 2.159 177.957 175.800 -0.004 0.000 1.279 406 F CA -0.922 57.075 58.000 -0.005 0.000 1.304 406 F CB -0.353 38.646 39.000 -0.002 0.000 1.223 406 F HN 0.169 nan 8.300 nan 0.000 0.563 407 S N -0.657 115.177 115.700 0.224 0.000 2.439 407 S HA 0.485 4.955 4.470 -0.000 0.000 0.224 407 S C 0.267 174.942 174.600 0.124 0.000 1.029 407 S CA 0.542 58.816 58.200 0.123 0.000 0.946 407 S CB -0.216 63.031 63.200 0.078 0.000 0.797 407 S HN 0.868 nan 8.310 nan 0.000 0.504 408 A N -0.025 122.891 122.820 0.160 0.000 2.594 408 A HA 0.744 5.064 4.320 -0.000 0.000 0.295 408 A C -1.487 176.191 177.584 0.158 0.000 1.071 408 A CA -0.523 51.589 52.037 0.124 0.000 0.685 408 A CB 1.800 20.843 19.000 0.072 0.000 1.285 408 A HN 0.362 nan 8.150 nan 0.000 0.405 409 V N 1.119 121.120 119.914 0.146 0.000 2.841 409 V HA 0.647 4.767 4.120 -0.000 0.000 0.310 409 V C -1.552 174.640 176.094 0.162 0.000 1.090 409 V CA -0.477 61.923 62.300 0.166 0.000 0.930 409 V CB 2.006 33.932 31.823 0.172 0.000 1.014 409 V HN 0.943 nan 8.190 nan 0.000 0.425 410 F N 6.156 126.104 119.950 -0.004 0.000 2.427 410 F HA 0.721 5.248 4.527 -0.000 0.000 0.346 410 F C -0.421 175.366 175.800 -0.021 0.000 1.120 410 F CA -0.651 57.336 58.000 -0.021 0.000 1.033 410 F CB 1.005 39.983 39.000 -0.037 0.000 1.126 410 F HN 0.315 nan 8.300 nan 0.000 0.462 411 I N 6.453 126.629 120.570 -0.656 0.000 2.406 411 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 411 I C -0.705 174.912 176.117 -0.834 0.000 0.999 411 I CA -0.815 60.159 61.300 -0.544 0.000 1.124 411 I CB 1.768 39.592 38.000 -0.294 0.000 1.289 411 I HN 0.505 nan 8.210 nan 0.000 0.441 412 K N 7.054 127.105 120.400 -0.581 0.000 2.323 412 K HA 0.555 4.875 4.320 -0.000 0.000 0.259 412 K C -1.044 175.387 176.600 -0.283 0.000 0.947 412 K CA -0.746 55.285 56.287 -0.426 0.000 0.819 412 K CB 1.879 34.229 32.500 -0.250 0.000 1.109 412 K HN 0.612 nan 8.250 nan 0.000 0.429 413 R N 3.569 123.915 120.500 -0.257 0.000 2.621 413 R HA 0.271 4.611 4.340 -0.000 0.000 0.292 413 R C -1.250 174.910 176.300 -0.233 0.000 0.969 413 R CA -0.489 55.468 56.100 -0.238 0.000 0.887 413 R CB 1.647 31.828 30.300 -0.197 0.000 1.180 413 R HN 0.669 nan 8.270 nan 0.000 0.450 414 Q N 4.662 124.285 119.800 -0.295 0.000 2.353 414 Q HA 0.482 4.822 4.340 -0.000 0.000 0.268 414 Q C -0.738 175.154 176.000 -0.180 0.000 1.045 414 Q CA -0.802 54.864 55.803 -0.229 0.000 0.811 414 Q CB 2.885 31.507 28.738 -0.194 0.000 1.305 414 Q HN 0.612 nan 8.270 nan 0.000 0.447 415 I N -0.524 120.091 120.570 0.074 0.000 2.647 415 I HA 0.714 4.884 4.170 -0.000 0.000 0.295 415 I C -1.500 174.827 176.117 0.350 0.000 1.078 415 I CA -1.036 60.392 61.300 0.212 0.000 1.048 415 I CB 1.852 39.968 38.000 0.192 0.000 1.239 415 I HN 0.372 nan 8.210 nan 0.000 0.421 416 V N 7.128 127.286 119.914 0.407 0.000 2.604 416 V HA 0.591 4.711 4.120 -0.000 0.000 0.305 416 V C -0.226 176.038 176.094 0.284 0.000 1.043 416 V CA -0.352 62.148 62.300 0.333 0.000 0.888 416 V CB 1.718 33.722 31.823 0.302 0.000 0.995 416 V HN 1.088 nan 8.190 nan 0.000 0.429 417 N N 1.906 120.746 118.700 0.233 0.000 3.517 417 N HA 0.283 5.023 4.740 -0.000 0.000 0.329 417 N C -0.102 175.472 175.510 0.107 0.000 1.569 417 N CA -0.752 52.396 53.050 0.163 0.000 0.852 417 N CB 1.183 39.759 38.487 0.147 0.000 1.955 417 N HN 0.296 nan 8.380 nan 0.000 0.555 418 E N -0.181 120.055 120.200 0.061 0.000 2.418 418 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 418 E C 1.070 177.656 176.600 -0.023 0.000 1.026 418 E CA 0.994 57.426 56.400 0.053 0.000 0.862 418 E CB 0.163 29.893 29.700 0.051 0.000 0.799 418 E HN 0.556 nan 8.360 nan 0.000 0.518 419 Q N -0.707 119.013 119.800 -0.133 0.000 2.462 419 Q HA 0.040 4.380 4.340 -0.000 0.000 0.224 419 Q C -0.099 175.724 176.000 -0.295 0.000 0.911 419 Q CA 0.162 55.767 55.803 -0.331 0.000 0.925 419 Q CB 0.569 28.914 28.738 -0.655 0.000 1.063 419 Q HN 0.160 nan 8.270 nan 0.000 0.572 420 Y N -0.981 119.347 120.300 0.046 0.000 2.387 420 Y HA 0.472 5.022 4.550 -0.000 0.000 0.336 420 Y C 0.961 176.923 175.900 0.103 0.000 1.067 420 Y CA -0.378 57.760 58.100 0.063 0.000 1.114 420 Y CB 2.061 40.562 38.460 0.069 0.000 1.208 420 Y HN 0.305 nan 8.280 nan 0.000 0.458 421 G N 2.222 111.184 108.800 0.270 0.000 2.153 421 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.252 421 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.252 421 G C -0.259 174.783 174.900 0.237 0.000 0.994 421 G CA 0.328 45.549 45.100 0.201 0.000 0.698 421 G HN 0.752 nan 8.290 nan 0.000 0.521 422 N N -0.188 118.627 118.700 0.192 0.000 2.851 422 N HA 0.622 5.362 4.740 -0.000 0.000 0.248 422 N C 1.439 177.028 175.510 0.131 0.000 1.221 422 N CA 0.371 53.518 53.050 0.161 0.000 0.847 422 N CB 0.223 38.796 38.487 0.143 0.000 1.150 422 N HN 0.325 nan 8.380 nan 0.000 0.507 423 A N 1.790 124.697 122.820 0.144 0.000 2.019 423 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 423 A C 1.812 179.414 177.584 0.030 0.000 1.164 423 A CA 0.687 52.825 52.037 0.168 0.000 0.644 423 A CB -0.621 18.570 19.000 0.318 0.000 0.805 423 A HN 0.894 nan 8.150 nan 0.000 0.449 424 W N 0.786 121.784 121.300 -0.503 0.000 2.358 424 W HA -0.160 4.500 4.660 0.000 0.000 0.303 424 W C 2.295 178.754 176.519 -0.099 0.000 1.208 424 W CA 1.786 58.708 57.345 -0.706 0.000 1.274 424 W CB -0.246 28.772 29.460 -0.737 0.000 1.138 424 W HN 0.305 nan 8.180 nan 0.000 0.515 425 R N -0.047 120.384 120.500 -0.114 0.000 2.096 425 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 425 R C 1.850 178.057 176.300 -0.155 0.000 1.127 425 R CA 2.129 58.075 56.100 -0.256 0.000 0.968 425 R CB -0.532 29.709 30.300 -0.098 0.000 0.861 425 R HN 0.197 nan 8.270 nan 0.000 0.440 426 V N -0.345 119.558 119.914 -0.018 0.000 2.453 426 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 426 V C 1.878 178.018 176.094 0.078 0.000 1.048 426 V CA 1.635 63.952 62.300 0.028 0.000 1.049 426 V CB -0.761 31.112 31.823 0.083 0.000 0.672 426 V HN 0.559 nan 8.190 nan 0.000 0.457 427 W N 1.734 123.012 121.300 -0.037 0.000 2.342 427 W HA -0.209 4.451 4.660 0.000 0.000 0.297 427 W C 2.280 178.754 176.519 -0.076 0.000 1.213 427 W CA 1.900 59.263 57.345 0.030 0.000 1.251 427 W CB -0.104 29.507 29.460 0.251 0.000 1.136 427 W HN 0.111 nan 8.180 nan 0.000 0.526 428 K N -0.120 120.108 120.400 -0.287 0.000 2.057 428 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 428 K C 2.073 178.467 176.600 -0.343 0.000 1.050 428 K CA 1.791 57.770 56.287 -0.512 0.000 0.935 428 K CB -0.482 31.707 32.500 -0.518 0.000 0.715 428 K HN 0.311 nan 8.250 nan 0.000 0.439 429 Q N 0.373 120.041 119.800 -0.221 0.000 2.226 429 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 429 Q C 1.829 177.748 176.000 -0.135 0.000 0.975 429 Q CA 1.173 56.885 55.803 -0.152 0.000 0.866 429 Q CB -0.109 28.569 28.738 -0.100 0.000 0.915 429 Q HN 0.339 nan 8.270 nan 0.000 0.440 430 M N -0.851 118.666 119.600 -0.139 0.000 2.700 430 M HA 0.003 4.483 4.480 -0.000 0.000 0.249 430 M C 0.822 177.012 176.300 -0.184 0.000 1.082 430 M CA 0.945 56.171 55.300 -0.122 0.000 1.077 430 M CB 0.225 32.792 32.600 -0.055 0.000 1.477 430 M HN 0.439 nan 8.290 nan 0.000 0.529 431 G N 1.263 109.904 108.800 -0.265 0.000 2.132 431 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.228 431 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.228 431 G C 0.065 174.727 174.900 -0.398 0.000 1.000 431 G CA -0.118 44.823 45.100 -0.264 0.000 0.693 431 G HN 0.519 nan 8.290 nan 0.000 0.515 432 R N -1.591 118.455 120.500 -0.757 0.000 3.188 432 R HA -0.161 4.179 4.340 -0.000 0.000 0.247 432 R C -2.017 173.977 176.300 -0.509 0.000 0.918 432 R CA 0.825 56.156 56.100 -1.282 0.000 0.629 432 R CB -1.711 27.931 30.300 -1.097 0.000 1.087 432 R HN 0.557 nan 8.270 nan 0.000 0.462 433 P HA -0.055 nan 4.420 nan 0.000 0.267 433 P C 0.207 177.618 177.300 0.185 0.000 1.205 433 P CA 0.245 63.360 63.100 0.025 0.000 0.765 433 P CB 0.624 32.376 31.700 0.086 0.000 0.828 434 R N 1.963 122.416 120.500 -0.078 0.000 2.075 434 R HA 0.074 4.414 4.340 -0.000 0.000 0.226 434 R C 0.435 176.333 176.300 -0.670 0.000 1.114 434 R CA 1.274 57.108 56.100 -0.443 0.000 0.972 434 R CB -0.118 29.585 30.300 -0.994 0.000 0.869 434 R HN 0.483 nan 8.270 nan 0.000 0.437 435 F N 2.063 122.113 119.950 0.168 0.000 2.531 435 F HA 0.328 4.855 4.527 -0.000 0.000 0.333 435 F C -2.017 173.849 175.800 0.110 0.000 1.292 435 F CA -2.304 55.772 58.000 0.126 0.000 1.184 435 F CB 0.745 39.798 39.000 0.087 0.000 1.426 435 F HN -0.143 nan 8.300 nan 0.000 0.559 436 P HA 0.108 nan 4.420 nan 0.000 0.269 436 P C 0.163 177.498 177.300 0.059 0.000 1.209 436 P CA -0.054 63.115 63.100 0.115 0.000 0.776 436 P CB 1.136 32.903 31.700 0.112 0.000 0.876 437 S N 2.175 117.902 115.700 0.045 0.000 2.596 437 S HA 0.140 4.610 4.470 -0.000 0.000 0.260 437 S C 1.320 175.901 174.600 -0.030 0.000 1.336 437 S CA -0.494 57.719 58.200 0.022 0.000 0.993 437 S CB 0.704 63.921 63.200 0.028 0.000 0.923 437 S HN 0.380 nan 8.310 nan 0.000 0.567 438 R N 0.502 120.985 120.500 -0.028 0.000 2.120 438 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 438 R C 2.575 178.855 176.300 -0.034 0.000 1.123 438 R CA 1.774 57.844 56.100 -0.049 0.000 0.975 438 R CB -0.385 29.905 30.300 -0.016 0.000 0.866 438 R HN 0.726 nan 8.270 nan 0.000 0.446 439 Q N -0.048 119.747 119.800 -0.009 0.000 2.083 439 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 439 Q C 2.249 178.254 176.000 0.008 0.000 0.969 439 Q CA 1.247 57.052 55.803 0.003 0.000 0.838 439 Q CB -0.035 28.710 28.738 0.012 0.000 0.900 439 Q HN 0.356 nan 8.270 nan 0.000 0.436 440 A N 0.385 123.211 122.820 0.011 0.000 1.933 440 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 440 A C 2.294 179.893 177.584 0.024 0.000 1.175 440 A CA 1.246 53.302 52.037 0.032 0.000 0.628 440 A CB -0.646 18.384 19.000 0.051 0.000 0.814 440 A HN 0.206 nan 8.150 nan 0.000 0.444 441 V N 0.161 120.051 119.914 -0.039 0.000 2.343 441 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 441 V C 2.391 178.470 176.094 -0.025 0.000 1.051 441 V CA 2.356 64.603 62.300 -0.087 0.000 1.036 441 V CB -0.889 30.758 31.823 -0.293 0.000 0.654 441 V HN 0.689 nan 8.190 nan 0.000 0.451 442 E N -0.138 120.054 120.200 -0.013 0.000 2.085 442 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 442 E C 2.244 178.865 176.600 0.035 0.000 0.994 442 E CA 1.893 58.301 56.400 0.014 0.000 0.801 442 E CB -0.422 29.287 29.700 0.015 0.000 0.743 442 E HN 0.548 nan 8.360 nan 0.000 0.453 443 T N 1.402 115.981 114.554 0.042 0.000 2.708 443 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 443 T C 1.901 176.652 174.700 0.084 0.000 1.037 443 T CA 0.909 63.045 62.100 0.060 0.000 1.146 443 T CB -0.234 68.669 68.868 0.059 0.000 0.865 443 T HN 0.083 nan 8.240 nan 0.000 0.435 444 L N 0.438 121.721 121.223 0.100 0.000 2.131 444 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 444 L C 2.825 179.771 176.870 0.126 0.000 1.092 444 L CA 1.264 56.191 54.840 0.146 0.000 0.759 444 L CB -0.483 41.691 42.059 0.191 0.000 0.903 444 L HN 0.162 nan 8.230 nan 0.000 0.435 445 R N 0.014 120.564 120.500 0.083 0.000 2.075 445 R HA -0.209 4.131 4.340 -0.000 0.000 0.232 445 R C 2.359 178.707 176.300 0.080 0.000 1.126 445 R CA 1.550 57.690 56.100 0.067 0.000 0.963 445 R CB -0.107 30.216 30.300 0.039 0.000 0.858 445 R HN 0.372 nan 8.270 nan 0.000 0.435 446 Q N -0.170 119.676 119.800 0.078 0.000 2.050 446 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 446 Q C 1.935 177.996 176.000 0.102 0.000 0.980 446 Q CA 1.724 57.575 55.803 0.081 0.000 0.840 446 Q CB 0.121 28.902 28.738 0.070 0.000 0.898 446 Q HN 0.241 nan 8.270 nan 0.000 0.424 447 V N 0.673 120.655 119.914 0.114 0.000 2.548 447 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 447 V C 2.086 178.275 176.094 0.158 0.000 1.055 447 V CA 1.474 63.854 62.300 0.133 0.000 1.065 447 V CB -0.548 31.350 31.823 0.126 0.000 0.681 447 V HN 0.496 nan 8.190 nan 0.000 0.462 448 A N -1.147 121.772 122.820 0.166 0.000 2.216 448 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 448 A C 1.269 178.995 177.584 0.237 0.000 1.160 448 A CA 0.593 52.758 52.037 0.213 0.000 0.725 448 A CB -0.330 18.785 19.000 0.192 0.000 0.784 448 A HN 0.615 nan 8.150 nan 0.000 0.472 449 Q N 0.097 119.984 119.800 0.146 0.000 2.259 449 Q HA 0.325 4.665 4.340 -0.000 0.000 0.246 449 Q C -2.469 173.520 176.000 -0.019 0.000 0.920 449 Q CA -2.183 53.654 55.803 0.057 0.000 0.895 449 Q CB 0.677 29.464 28.738 0.081 0.000 1.220 449 Q HN 0.147 nan 8.270 nan 0.000 0.439 450 P HA -0.119 nan 4.420 nan 0.000 0.267 450 P C -1.031 176.303 177.300 0.058 0.000 1.200 450 P CA 0.188 63.270 63.100 -0.031 0.000 0.772 450 P CB 0.401 32.136 31.700 0.059 0.000 0.855 451 H N 2.174 121.209 119.070 -0.058 0.000 2.848 451 H HA 0.182 4.738 4.556 0.000 0.000 0.317 451 H C -0.731 174.496 175.328 -0.168 0.000 1.046 451 H CA -0.186 55.710 56.048 -0.253 0.000 1.470 451 H CB 0.484 29.812 29.762 -0.723 0.000 1.483 451 H HN 0.070 nan 8.280 nan 0.000 0.548 452 V N 7.628 127.209 119.914 -0.555 0.000 2.435 452 V HA 0.309 4.429 4.120 -0.000 0.000 0.290 452 V C 0.128 175.896 176.094 -0.543 0.000 1.030 452 V CA -0.528 61.526 62.300 -0.410 0.000 0.881 452 V CB 1.499 33.197 31.823 -0.208 0.000 0.983 452 V HN 0.748 nan 8.190 nan 0.000 0.445 453 M N 4.015 123.400 119.600 -0.358 0.000 2.518 453 M HA 0.710 5.190 4.480 -0.000 0.000 0.300 453 M C -0.541 175.628 176.300 -0.219 0.000 1.175 453 M CA -0.465 54.676 55.300 -0.264 0.000 0.890 453 M CB 2.723 35.204 32.600 -0.199 0.000 1.710 453 M HN 0.737 nan 8.290 nan 0.000 0.453 454 T N -1.005 113.442 114.554 -0.178 0.000 2.903 454 T HA 0.861 5.211 4.350 -0.000 0.000 0.299 454 T C -1.177 173.417 174.700 -0.177 0.000 1.093 454 T CA -0.817 61.135 62.100 -0.245 0.000 1.002 454 T CB 2.593 71.416 68.868 -0.074 0.000 1.127 454 T HN 0.878 nan 8.240 nan 0.000 0.488 455 E N 0.732 120.774 120.200 -0.263 0.000 2.407 455 E HA 0.400 4.750 4.350 -0.000 0.000 0.279 455 E C -1.443 175.130 176.600 -0.044 0.000 1.012 455 E CA -1.096 55.248 56.400 -0.094 0.000 0.800 455 E CB 1.704 31.354 29.700 -0.084 0.000 1.276 455 E HN 0.723 nan 8.360 nan 0.000 0.452 456 Q N 1.544 121.388 119.800 0.072 0.000 2.230 456 Q HA 0.423 4.763 4.340 -0.000 0.000 0.253 456 Q C -1.060 174.965 176.000 0.042 0.000 0.919 456 Q CA -0.794 55.071 55.803 0.104 0.000 0.908 456 Q CB 1.564 30.373 28.738 0.119 0.000 1.245 456 Q HN 0.549 nan 8.270 nan 0.000 0.437 457 R N 2.613 123.138 120.500 0.042 0.000 2.621 457 R HA 0.407 4.747 4.340 -0.000 0.000 0.284 457 R C -1.107 175.219 176.300 0.043 0.000 0.998 457 R CA -0.683 55.433 56.100 0.028 0.000 0.895 457 R CB 1.252 31.555 30.300 0.005 0.000 1.195 457 R HN 0.563 nan 8.270 nan 0.000 0.450 458 R N 2.184 122.707 120.500 0.037 0.000 2.441 458 R HA 0.327 4.667 4.340 -0.000 0.000 0.284 458 R C -0.653 175.668 176.300 0.036 0.000 1.070 458 R CA -0.261 55.864 56.100 0.042 0.000 1.047 458 R CB 1.738 32.058 30.300 0.034 0.000 1.016 458 R HN 0.683 nan 8.270 nan 0.000 0.477 459 A N 2.631 125.475 122.820 0.039 0.000 2.880 459 A HA 0.107 4.427 4.320 -0.000 0.000 0.328 459 A C 0.367 177.952 177.584 0.001 0.000 1.440 459 A CA -0.360 51.684 52.037 0.011 0.000 1.068 459 A CB 0.157 19.161 19.000 0.006 0.000 1.163 459 A HN 0.577 nan 8.150 nan 0.000 0.510 460 T N 1.610 116.171 114.554 0.012 0.000 2.769 460 T HA 0.274 4.624 4.350 -0.000 0.000 0.293 460 T C 0.009 174.713 174.700 0.007 0.000 0.931 460 T CA 0.409 62.519 62.100 0.017 0.000 1.139 460 T CB -0.413 68.475 68.868 0.034 0.000 0.881 460 T HN 0.659 nan 8.240 nan 0.000 0.532 461 D N 3.805 124.203 120.400 -0.003 0.000 2.716 461 D HA -0.164 4.476 4.640 -0.000 0.000 0.239 461 D C 1.029 177.306 176.300 -0.039 0.000 1.125 461 D CA 1.752 55.745 54.000 -0.012 0.000 0.681 461 D CB -1.477 39.326 40.800 0.005 0.000 1.070 461 D HN 1.276 nan 8.370 nan 0.000 0.432 462 G N -2.204 106.560 108.800 -0.059 0.000 2.184 462 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 462 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 462 G C 0.340 175.155 174.900 -0.141 0.000 0.975 462 G CA 0.481 45.522 45.100 -0.099 0.000 0.642 462 G HN 0.696 nan 8.290 nan 0.000 0.536 463 V N 1.154 120.986 119.914 -0.136 0.000 2.789 463 V HA 0.742 4.862 4.120 -0.000 0.000 0.311 463 V C -0.107 175.845 176.094 -0.236 0.000 1.073 463 V CA -0.740 61.427 62.300 -0.221 0.000 0.921 463 V CB 2.198 33.861 31.823 -0.268 0.000 1.009 463 V HN 0.419 nan 8.190 nan 0.000 0.426 464 I N 3.275 123.675 120.570 -0.282 0.000 2.441 464 I HA 0.576 4.745 4.170 -0.000 0.000 0.295 464 I C -0.994 174.915 176.117 -0.347 0.000 0.994 464 I CA -0.459 60.714 61.300 -0.212 0.000 1.144 464 I CB 1.445 39.377 38.000 -0.114 0.000 1.314 464 I HN 0.741 nan 8.210 nan 0.000 0.445 465 H N 7.070 126.105 119.070 -0.058 0.000 2.504 465 H HA 0.515 5.071 4.556 -0.000 0.000 0.322 465 H C -0.884 174.405 175.328 -0.064 0.000 1.055 465 H CA -0.389 55.621 56.048 -0.064 0.000 1.231 465 H CB 1.485 31.214 29.762 -0.056 0.000 1.417 465 H HN 0.395 nan 8.280 nan 0.000 0.472 466 L N 3.165 124.399 121.223 0.018 0.000 2.343 466 L HA 0.355 4.695 4.340 -0.000 0.000 0.278 466 L C -0.511 176.343 176.870 -0.027 0.000 0.996 466 L CA -0.718 54.107 54.840 -0.025 0.000 0.831 466 L CB 1.443 43.460 42.059 -0.070 0.000 1.232 466 L HN 0.640 nan 8.230 nan 0.000 0.413 467 S N 4.146 119.831 115.700 -0.025 0.000 2.448 467 S HA 0.653 5.123 4.470 -0.000 0.000 0.320 467 S C -0.496 174.079 174.600 -0.041 0.000 1.071 467 S CA -0.665 57.515 58.200 -0.035 0.000 1.113 467 S CB 1.022 64.205 63.200 -0.028 0.000 0.972 467 S HN 0.437 nan 8.310 nan 0.000 0.465 468 I N 3.273 123.812 120.570 -0.052 0.000 2.330 468 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 468 I C -0.635 175.458 176.117 -0.041 0.000 1.001 468 I CA -1.035 60.234 61.300 -0.052 0.000 1.193 468 I CB 1.535 39.490 38.000 -0.074 0.000 1.345 468 I HN 0.347 nan 8.210 nan 0.000 0.461 469 V N 7.726 127.627 119.914 -0.022 0.000 2.407 469 V HA 0.370 4.490 4.120 -0.000 0.000 0.278 469 V C 0.092 176.188 176.094 0.003 0.000 1.037 469 V CA -0.427 61.867 62.300 -0.011 0.000 0.900 469 V CB 1.562 33.385 31.823 -0.000 0.000 0.983 469 V HN 0.485 nan 8.190 nan 0.000 0.459 470 L N 5.268 126.493 121.223 0.003 0.000 2.316 470 L HA 0.466 4.806 4.340 -0.000 0.000 0.280 470 L C 0.741 177.632 176.870 0.034 0.000 1.006 470 L CA -0.204 54.649 54.840 0.023 0.000 0.836 470 L CB 1.827 43.891 42.059 0.008 0.000 1.221 470 L HN 0.814 nan 8.230 nan 0.000 0.418 471 S N 2.685 118.416 115.700 0.051 0.000 2.634 471 S HA 0.144 4.614 4.470 -0.000 0.000 0.254 471 S C 0.148 174.782 174.600 0.057 0.000 1.299 471 S CA -0.528 57.700 58.200 0.046 0.000 0.974 471 S CB 0.710 63.935 63.200 0.041 0.000 1.001 471 S HN 0.603 nan 8.310 nan 0.000 0.584 472 K N 0.835 121.265 120.400 0.050 0.000 2.416 472 K HA -0.004 4.316 4.320 -0.000 0.000 0.283 472 K C -0.291 176.361 176.600 0.087 0.000 1.037 472 K CA 0.272 56.596 56.287 0.062 0.000 0.995 472 K CB -0.370 32.160 32.500 0.050 0.000 0.938 472 K HN 0.658 nan 8.250 nan 0.000 0.475 473 N N 2.121 120.886 118.700 0.108 0.000 2.725 473 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 473 N C -0.742 174.866 175.510 0.163 0.000 1.103 473 N CA 1.074 54.207 53.050 0.139 0.000 0.707 473 N CB -0.878 37.684 38.487 0.125 0.000 1.043 473 N HN 0.766 nan 8.380 nan 0.000 0.553 474 E N 0.282 120.580 120.200 0.163 0.000 2.331 474 E HA 0.406 4.756 4.350 -0.000 0.000 0.272 474 E C -0.553 176.197 176.600 0.249 0.000 1.036 474 E CA -0.515 55.999 56.400 0.189 0.000 0.864 474 E CB 0.983 30.773 29.700 0.150 0.000 1.035 474 E HN 0.025 nan 8.360 nan 0.000 0.408 475 V N 3.476 123.571 119.914 0.301 0.000 2.495 475 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 475 V C -0.127 176.190 176.094 0.371 0.000 1.031 475 V CA -0.666 61.863 62.300 0.383 0.000 0.871 475 V CB 1.784 33.865 31.823 0.430 0.000 0.988 475 V HN 0.762 nan 8.190 nan 0.000 0.432 476 T N 4.720 119.384 114.554 0.184 0.000 2.916 476 T HA 0.622 4.972 4.350 -0.000 0.000 0.298 476 T C -1.401 173.075 174.700 -0.373 0.000 1.031 476 T CA -0.411 61.623 62.100 -0.111 0.000 0.993 476 T CB 1.313 70.141 68.868 -0.067 0.000 1.045 476 T HN 0.543 nan 8.240 nan 0.000 0.454 477 L N 6.002 126.686 121.223 -0.898 0.000 2.289 477 L HA 0.762 5.102 4.340 -0.000 0.000 0.285 477 L C -1.223 175.388 176.870 -0.431 0.000 1.049 477 L CA -0.192 54.227 54.840 -0.702 0.000 0.804 477 L CB 0.649 42.141 42.059 -0.946 0.000 1.195 477 L HN 0.666 nan 8.230 nan 0.000 0.428 478 I N 4.614 125.009 120.570 -0.292 0.000 2.418 478 I HA 0.380 4.550 4.170 -0.000 0.000 0.287 478 I C -0.514 175.494 176.117 -0.181 0.000 1.008 478 I CA -0.253 60.913 61.300 -0.224 0.000 1.104 478 I CB 1.614 39.502 38.000 -0.187 0.000 1.264 478 I HN 0.613 nan 8.210 nan 0.000 0.438 479 E N 6.990 127.091 120.200 -0.165 0.000 2.171 479 E HA 0.612 4.962 4.350 -0.000 0.000 0.271 479 E C -1.075 175.467 176.600 -0.097 0.000 0.916 479 E CA -0.597 55.740 56.400 -0.106 0.000 0.774 479 E CB 2.491 32.150 29.700 -0.070 0.000 1.128 479 E HN 0.416 nan 8.360 nan 0.000 0.403 480 I N 3.229 123.774 120.570 -0.043 0.000 2.411 480 I HA 0.243 4.413 4.170 -0.000 0.000 0.284 480 I C -0.237 175.926 176.117 0.076 0.000 1.012 480 I CA -0.510 60.786 61.300 -0.006 0.000 1.119 480 I CB 1.109 39.103 38.000 -0.010 0.000 1.261 480 I HN 0.303 nan 8.210 nan 0.000 0.448 481 E N 5.470 125.736 120.200 0.110 0.000 2.288 481 E HA 0.286 4.636 4.350 -0.000 0.000 0.268 481 E C -1.078 175.552 176.600 0.051 0.000 0.885 481 E CA -0.988 55.475 56.400 0.104 0.000 0.767 481 E CB 2.511 32.276 29.700 0.108 0.000 1.220 481 E HN 0.493 nan 8.360 nan 0.000 0.427 482 Q N 1.402 121.078 119.800 -0.207 0.000 2.274 482 Q HA 0.104 4.444 4.340 -0.000 0.000 0.280 482 Q C -0.683 175.147 176.000 -0.283 0.000 1.047 482 Q CA -0.105 55.325 55.803 -0.622 0.000 0.907 482 Q CB 0.733 28.670 28.738 -1.334 0.000 1.171 482 Q HN 0.251 nan 8.270 nan 0.000 0.381 483 V N 6.367 126.183 119.914 -0.163 0.000 2.455 483 V HA 0.149 4.269 4.120 -0.000 0.000 0.273 483 V C 0.190 176.203 176.094 -0.135 0.000 1.045 483 V CA 0.018 62.258 62.300 -0.099 0.000 0.976 483 V CB 0.798 32.609 31.823 -0.019 0.000 0.993 483 V HN 0.725 nan 8.190 nan 0.000 0.475 484 R N 3.256 123.679 120.500 -0.127 0.000 2.369 484 R HA 0.263 4.603 4.340 -0.000 0.000 0.310 484 R C -0.625 175.640 176.300 -0.058 0.000 1.141 484 R CA -0.716 55.327 56.100 -0.095 0.000 1.116 484 R CB 0.507 30.748 30.300 -0.098 0.000 1.135 484 R HN 0.630 nan 8.270 nan 0.000 0.529 485 D N 2.006 122.383 120.400 -0.038 0.000 2.417 485 D HA -0.030 4.610 4.640 -0.000 0.000 0.250 485 D C 0.426 176.734 176.300 0.014 0.000 1.166 485 D CA 0.374 54.364 54.000 -0.017 0.000 0.881 485 D CB 0.870 41.664 40.800 -0.010 0.000 1.164 485 D HN 0.419 nan 8.370 nan 0.000 0.467 486 E N 1.500 121.729 120.200 0.048 0.000 2.481 486 E HA 0.012 4.362 4.350 -0.000 0.000 0.198 486 E C 1.206 177.949 176.600 0.237 0.000 1.027 486 E CA 0.016 56.489 56.400 0.121 0.000 0.900 486 E CB 0.438 30.230 29.700 0.155 0.000 0.993 486 E HN 0.470 nan 8.360 nan 0.000 0.482 487 T N 0.691 115.331 114.554 0.143 0.000 2.759 487 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 487 T C 2.139 176.954 174.700 0.191 0.000 1.042 487 T CA 1.668 63.846 62.100 0.130 0.000 1.140 487 T CB -0.202 68.655 68.868 -0.019 0.000 0.864 487 T HN 0.285 nan 8.240 nan 0.000 0.455 488 S N 0.807 116.575 115.700 0.114 0.000 2.419 488 S HA -0.149 4.321 4.470 -0.000 0.000 0.235 488 S C 2.093 176.736 174.600 0.073 0.000 1.019 488 S CA 1.588 59.834 58.200 0.077 0.000 0.982 488 S CB -0.971 62.254 63.200 0.042 0.000 0.789 488 S HN 0.392 nan 8.310 nan 0.000 0.490 489 T N 0.695 115.294 114.554 0.076 0.000 2.881 489 T HA 0.008 4.358 4.350 -0.000 0.000 0.270 489 T C -0.203 174.447 174.700 -0.082 0.000 1.068 489 T CA 0.878 62.958 62.100 -0.033 0.000 1.131 489 T CB -0.446 68.364 68.868 -0.098 0.000 0.871 489 T HN 0.594 nan 8.240 nan 0.000 0.479 490 Y N 1.896 122.184 120.300 -0.020 0.000 2.736 490 Y HA 0.362 4.912 4.550 0.000 0.000 0.339 490 Y C 0.174 176.065 175.900 -0.015 0.000 1.301 490 Y CA -0.974 57.114 58.100 -0.020 0.000 1.676 490 Y CB -0.502 37.944 38.460 -0.024 0.000 1.725 490 Y HN -0.145 nan 8.280 nan 0.000 0.466 491 V N 1.715 121.670 119.914 0.069 0.000 2.485 491 V HA 0.223 4.343 4.120 -0.000 0.000 0.287 491 V C 1.202 177.325 176.094 0.049 0.000 1.022 491 V CA 1.169 63.497 62.300 0.047 0.000 1.067 491 V CB 0.291 32.123 31.823 0.015 0.000 0.967 491 V HN 0.983 nan 8.190 nan 0.000 0.479 492 G N 3.947 112.774 108.800 0.045 0.000 2.176 492 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 492 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 492 G C 0.108 175.033 174.900 0.042 0.000 0.986 492 G CA 0.108 45.230 45.100 0.036 0.000 0.643 492 G HN 0.772 nan 8.290 nan 0.000 0.522 493 L N 1.181 122.440 121.223 0.061 0.000 2.499 493 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 493 L C -0.547 176.332 176.870 0.014 0.000 1.195 493 L CA 0.324 55.192 54.840 0.046 0.000 0.882 493 L CB 0.752 42.841 42.059 0.050 0.000 1.133 493 L HN 0.145 nan 8.230 nan 0.000 0.483 494 D N 3.155 123.558 120.400 0.005 0.000 2.337 494 D HA 0.111 4.751 4.640 -0.000 0.000 0.238 494 D C 0.169 176.471 176.300 0.003 0.000 1.331 494 D CA -0.415 53.587 54.000 0.004 0.000 0.967 494 D CB 0.962 41.770 40.800 0.014 0.000 1.382 494 D HN 0.543 nan 8.370 nan 0.000 0.549 495 D N 1.891 122.285 120.400 -0.010 0.000 2.228 495 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 495 D C 2.015 178.353 176.300 0.062 0.000 0.988 495 D CA 1.179 55.178 54.000 -0.001 0.000 0.864 495 D CB 0.037 40.823 40.800 -0.024 0.000 0.928 495 D HN 0.638 nan 8.370 nan 0.000 0.469 496 G N 0.741 109.572 108.800 0.052 0.000 2.501 496 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 496 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 496 G C 1.330 176.262 174.900 0.053 0.000 1.114 496 G CA 0.312 45.446 45.100 0.057 0.000 0.757 496 G HN 0.228 nan 8.290 nan 0.000 0.559 497 E N -0.109 120.118 120.200 0.045 0.000 2.502 497 E HA 0.101 4.451 4.350 -0.000 0.000 0.194 497 E C 0.596 177.229 176.600 0.055 0.000 1.062 497 E CA 0.007 56.431 56.400 0.040 0.000 0.867 497 E CB 0.368 30.084 29.700 0.028 0.000 0.888 497 E HN 0.458 nan 8.360 nan 0.000 0.510 498 I N 1.786 122.409 120.570 0.087 0.000 2.365 498 I HA 0.014 4.184 4.170 -0.000 0.000 0.291 498 I C 0.875 177.098 176.117 0.177 0.000 1.004 498 I CA -0.560 60.816 61.300 0.127 0.000 1.311 498 I CB 1.302 39.381 38.000 0.131 0.000 1.401 498 I HN -0.197 nan 8.210 nan 0.000 0.491 499 T N 3.947 118.579 114.554 0.131 0.000 2.800 499 T HA -0.021 4.329 4.350 -0.000 0.000 0.283 499 T C 1.056 175.779 174.700 0.038 0.000 0.999 499 T CA 0.679 62.826 62.100 0.078 0.000 1.176 499 T CB 0.118 69.013 68.868 0.044 0.000 0.973 499 T HN 1.180 nan 8.240 nan 0.000 0.519 500 S N 1.662 117.319 115.700 -0.071 0.000 2.427 500 S HA -0.200 4.270 4.470 -0.000 0.000 0.253 500 S C 0.010 174.386 174.600 -0.373 0.000 1.246 500 S CA 0.846 58.899 58.200 -0.246 0.000 1.421 500 S CB -2.689 60.297 63.200 -0.355 0.000 1.769 500 S HN 0.886 nan 8.310 nan 0.000 0.620 501 Y N 3.148 123.446 120.300 -0.004 0.000 2.354 501 Y HA 0.609 5.159 4.550 0.000 0.000 0.322 501 Y C 1.370 177.266 175.900 -0.007 0.000 1.253 501 Y CA 0.775 58.871 58.100 -0.007 0.000 1.272 501 Y CB 1.244 39.698 38.460 -0.010 0.000 1.255 501 Y HN 1.098 nan 8.280 nan 0.000 0.500 502 S N 0.000 115.782 115.700 0.137 0.000 2.498 502 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 502 S CA 0.000 58.248 58.200 0.080 0.000 1.107 502 S CB 0.000 63.246 63.200 0.077 0.000 0.593 502 S HN 0.000 nan 8.310 nan 0.000 0.517