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 1owo_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAPILFWHRR DLRLSDNIGL AAARAQSAQL IGLFCLDPQI LQSADMAPAR DATA SEQUENCE VAYLQGCLQE LQQRYQQAGS RLLLLQGDPQ HLIPQLAQQL QAEAVYWNQD DATA SEQUENCE IEPYGRDRDG QVAAALKTAG IRAVQLWDQL LHSPDQILSG SGNPYSVYGP DATA SEQUENCE FWKNWQAQPK PTPVATPTEL VDLSPEQLTA IAPLLLSELP TLKQLGFDWD DATA SEQUENCE GGFPVEPGET AAIARLQEFC DRAIADYDPQ RNFPAEAGTS GLSPALKFGA DATA SEQUENCE IGIRQAWQAA SAAHALSRSD EARNSIRVWQ QELAWREFYQ HALYHFPSLA DATA SEQUENCE DGPYRSLWQQ FPWENREALF TAWTQAQTGY PIVDAAMRQL TETGWMHNRC DATA SEQUENCE RMIVASFLTK DLIIDWRRGE QFFMQHLVDG DLAANNGGWQ WSASSGMDPK DATA SEQUENCE PLRIFNPASQ AKKFDATATY IKRWLPELRH VHPKDLISGE ITPIERRGYP DATA SEQUENCE APIVNHNLRQ KQFKALYNQL KAAI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.596 177.584 0.021 0.000 1.274 2 A CA 0.000 52.047 52.037 0.017 0.000 0.836 2 A CB 0.000 19.011 19.000 0.018 0.000 0.831 3 A N 1.617 124.452 122.820 0.024 0.000 2.923 3 A HA 0.688 5.008 4.320 -0.000 0.000 0.343 3 A C -2.706 174.900 177.584 0.036 0.000 1.199 3 A CA -1.260 50.795 52.037 0.030 0.000 0.878 3 A CB -0.133 18.884 19.000 0.029 0.000 1.104 3 A HN 0.399 nan 8.150 nan 0.000 0.483 4 P HA 0.535 nan 4.420 nan 0.000 0.284 4 P C -0.592 176.747 177.300 0.066 0.000 1.258 4 P CA -0.287 62.841 63.100 0.048 0.000 0.824 4 P CB 1.646 33.372 31.700 0.043 0.000 1.038 5 I N 2.246 122.861 120.570 0.075 0.000 2.404 5 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 5 I C 0.232 176.433 176.117 0.139 0.000 0.992 5 I CA -1.052 60.314 61.300 0.110 0.000 1.149 5 I CB 1.595 39.634 38.000 0.065 0.000 1.315 5 I HN 0.119 nan 8.210 nan 0.000 0.446 6 L N 5.946 127.277 121.223 0.180 0.000 2.295 6 L HA 0.411 4.750 4.340 -0.000 0.000 0.285 6 L C -0.868 176.182 176.870 0.299 0.000 1.035 6 L CA -0.500 54.455 54.840 0.193 0.000 0.806 6 L CB 1.441 43.578 42.059 0.129 0.000 1.214 6 L HN 0.430 nan 8.230 nan 0.000 0.426 7 F N 3.367 123.442 119.950 0.208 0.000 2.402 7 F HA 0.341 4.868 4.527 -0.000 0.000 0.355 7 F C -0.770 175.221 175.800 0.318 0.000 1.123 7 F CA -0.718 57.431 58.000 0.249 0.000 1.021 7 F CB 1.033 40.127 39.000 0.155 0.000 1.160 7 F HN 0.415 nan 8.300 nan 0.000 0.451 8 W N 8.194 129.131 121.300 -0.605 0.000 2.342 8 W HA 0.346 5.006 4.660 -0.000 0.000 0.310 8 W C -0.992 175.261 176.519 -0.443 0.000 1.128 8 W CA -0.986 56.153 57.345 -0.343 0.000 1.322 8 W CB -0.175 29.149 29.460 -0.227 0.000 1.251 8 W HN 0.556 nan 8.180 nan 0.000 0.439 9 H N 4.826 124.040 119.070 0.241 0.000 2.525 9 H HA 0.391 4.947 4.556 -0.000 0.000 0.339 9 H C 0.560 175.981 175.328 0.155 0.000 1.109 9 H CA 0.212 56.445 56.048 0.308 0.000 1.352 9 H CB 1.590 31.691 29.762 0.564 0.000 1.461 9 H HN 0.393 nan 8.280 nan 0.000 0.533 10 R N 0.873 121.499 120.500 0.209 0.000 3.749 10 R HA 0.289 4.629 4.340 -0.000 0.000 0.142 10 R C 0.311 176.820 176.300 0.348 0.000 0.750 10 R CA -0.069 56.111 56.100 0.133 0.000 1.004 10 R CB 0.552 30.674 30.300 -0.298 0.000 1.509 10 R HN 0.365 nan 8.270 nan 0.000 0.494 11 R N 1.622 122.264 120.500 0.237 0.000 2.690 11 R HA 0.180 4.520 4.340 -0.000 0.000 0.419 11 R C -1.017 175.447 176.300 0.274 0.000 1.090 11 R CA 0.144 56.406 56.100 0.270 0.000 1.064 11 R CB 0.884 31.253 30.300 0.115 0.000 1.391 11 R HN 0.243 nan 8.270 nan 0.000 0.586 12 D N 0.068 120.677 120.400 0.348 0.000 2.945 12 D HA 0.033 4.672 4.640 -0.000 0.000 0.369 12 D C -0.023 176.551 176.300 0.457 0.000 1.294 12 D CA -0.411 53.804 54.000 0.359 0.000 0.778 12 D CB -0.135 40.881 40.800 0.361 0.000 1.188 12 D HN 0.067 nan 8.370 nan 0.000 0.479 13 L N 1.672 123.090 121.223 0.324 0.000 2.416 13 L HA 0.266 4.605 4.340 -0.000 0.000 0.243 13 L C 0.591 177.508 176.870 0.078 0.000 1.373 13 L CA 0.095 55.031 54.840 0.160 0.000 1.227 13 L CB -0.884 41.198 42.059 0.040 0.000 1.428 13 L HN 0.226 nan 8.230 nan 0.000 0.425 14 R N -0.107 120.467 120.500 0.123 0.000 2.712 14 R HA 0.375 4.715 4.340 -0.000 0.000 0.272 14 R C -0.613 175.718 176.300 0.052 0.000 1.032 14 R CA -1.029 55.102 56.100 0.052 0.000 0.874 14 R CB 1.117 31.460 30.300 0.071 0.000 1.256 14 R HN -0.031 nan 8.270 nan 0.000 0.468 15 L N 0.728 121.921 121.223 -0.049 0.000 2.515 15 L HA 0.236 4.576 4.340 -0.000 0.000 0.223 15 L C 0.312 177.129 176.870 -0.088 0.000 1.079 15 L CA 0.899 55.666 54.840 -0.122 0.000 0.857 15 L CB 0.590 42.507 42.059 -0.236 0.000 1.050 15 L HN 0.829 nan 8.230 nan 0.000 0.476 16 S N -1.441 114.233 115.700 -0.043 0.000 2.632 16 S HA 0.238 4.708 4.470 -0.000 0.000 0.271 16 S C 0.304 174.904 174.600 0.001 0.000 1.260 16 S CA -0.342 57.843 58.200 -0.024 0.000 1.010 16 S CB 0.987 64.182 63.200 -0.007 0.000 0.965 16 S HN 0.275 nan 8.310 nan 0.000 0.534 17 D N 0.681 121.084 120.400 0.004 0.000 2.829 17 D HA -0.235 4.405 4.640 -0.000 0.000 0.219 17 D C -0.748 175.570 176.300 0.031 0.000 1.239 17 D CA 0.786 54.801 54.000 0.024 0.000 0.685 17 D CB -1.441 39.390 40.800 0.052 0.000 0.950 17 D HN 0.617 nan 8.370 nan 0.000 0.398 18 N N 2.471 121.167 118.700 -0.006 0.000 2.524 18 N HA 0.108 4.848 4.740 -0.000 0.000 0.261 18 N C 1.345 176.837 175.510 -0.029 0.000 0.998 18 N CA -0.769 52.273 53.050 -0.013 0.000 0.915 18 N CB 0.630 39.063 38.487 -0.090 0.000 1.187 18 N HN 0.016 nan 8.380 nan 0.000 0.507 19 I N 2.278 122.873 120.570 0.042 0.000 2.087 19 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 19 I C 2.272 178.434 176.117 0.074 0.000 1.054 19 I CA 1.788 63.124 61.300 0.061 0.000 1.311 19 I CB -1.408 36.655 38.000 0.104 0.000 1.024 19 I HN 0.597 nan 8.210 nan 0.000 0.402 20 G N 0.448 109.343 108.800 0.159 0.000 2.422 20 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 20 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 20 G C 1.765 176.740 174.900 0.125 0.000 1.146 20 G CA 0.567 45.873 45.100 0.343 0.000 0.769 20 G HN 0.306 nan 8.290 nan 0.000 0.547 21 L N 1.197 122.156 121.223 -0.441 0.000 2.056 21 L HA 0.218 4.558 4.340 -0.000 0.000 0.207 21 L C 3.057 179.738 176.870 -0.316 0.000 1.078 21 L CA 1.968 56.357 54.840 -0.752 0.000 0.749 21 L CB -0.603 40.892 42.059 -0.940 0.000 0.901 21 L HN 0.226 nan 8.230 nan 0.000 0.433 22 A N -0.744 121.962 122.820 -0.190 0.000 1.930 22 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 22 A C 2.422 179.952 177.584 -0.090 0.000 1.175 22 A CA 1.552 53.522 52.037 -0.113 0.000 0.627 22 A CB -1.015 17.947 19.000 -0.062 0.000 0.815 22 A HN 0.516 nan 8.150 nan 0.000 0.443 23 A N -0.125 122.663 122.820 -0.052 0.000 1.930 23 A HA 0.199 4.519 4.320 -0.000 0.000 0.217 23 A C 2.472 179.944 177.584 -0.186 0.000 1.175 23 A CA 1.909 53.941 52.037 -0.009 0.000 0.627 23 A CB -0.911 18.188 19.000 0.166 0.000 0.815 23 A HN 0.993 nan 8.150 nan 0.000 0.443 24 A N -0.178 122.374 122.820 -0.446 0.000 1.902 24 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 24 A C 2.166 179.553 177.584 -0.328 0.000 1.181 24 A CA 2.001 53.575 52.037 -0.771 0.000 0.623 24 A CB -0.403 18.193 19.000 -0.674 0.000 0.818 24 A HN 0.440 nan 8.150 nan 0.000 0.443 25 R N 0.204 120.584 120.500 -0.199 0.000 2.189 25 R HA 0.070 4.410 4.340 -0.000 0.000 0.223 25 R C 1.795 178.048 176.300 -0.078 0.000 1.092 25 R CA 1.488 57.523 56.100 -0.110 0.000 0.989 25 R CB -0.667 29.579 30.300 -0.089 0.000 0.876 25 R HN 0.376 nan 8.270 nan 0.000 0.457 26 A N -0.427 122.346 122.820 -0.079 0.000 2.167 26 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 26 A C 1.423 178.990 177.584 -0.029 0.000 1.151 26 A CA 0.642 52.655 52.037 -0.040 0.000 0.735 26 A CB -0.038 18.948 19.000 -0.023 0.000 0.802 26 A HN 0.275 nan 8.150 nan 0.000 0.467 27 Q N -1.078 118.691 119.800 -0.051 0.000 2.392 27 Q HA 0.201 4.541 4.340 -0.000 0.000 0.219 27 Q C 0.160 176.151 176.000 -0.015 0.000 0.895 27 Q CA 0.810 56.601 55.803 -0.019 0.000 0.929 27 Q CB 0.643 29.379 28.738 -0.003 0.000 1.077 27 Q HN 0.481 nan 8.270 nan 0.000 0.532 28 S N -1.697 113.983 115.700 -0.034 0.000 2.556 28 S HA 0.571 5.041 4.470 -0.000 0.000 0.280 28 S C -0.653 173.941 174.600 -0.010 0.000 1.141 28 S CA 0.098 58.291 58.200 -0.012 0.000 0.883 28 S CB 1.134 64.336 63.200 0.003 0.000 1.103 28 S HN 0.055 nan 8.310 nan 0.000 0.453 29 A N 2.533 125.355 122.820 0.004 0.000 2.081 29 A HA 0.235 4.555 4.320 -0.000 0.000 0.214 29 A C 1.195 178.797 177.584 0.030 0.000 1.158 29 A CA 0.529 52.574 52.037 0.012 0.000 0.724 29 A CB -0.339 18.668 19.000 0.012 0.000 0.826 29 A HN 0.770 nan 8.150 nan 0.000 0.463 30 Q N 0.580 120.399 119.800 0.032 0.000 3.184 30 Q HA 0.310 4.650 4.340 -0.000 0.000 0.288 30 Q C -1.216 174.819 176.000 0.059 0.000 1.412 30 Q CA -0.318 55.512 55.803 0.044 0.000 0.991 30 Q CB -0.370 28.390 28.738 0.036 0.000 1.688 30 Q HN 0.355 nan 8.270 nan 0.000 0.554 31 L N 3.938 125.210 121.223 0.081 0.000 2.255 31 L HA 0.386 4.726 4.340 -0.000 0.000 0.289 31 L C -1.108 175.864 176.870 0.170 0.000 1.046 31 L CA -0.335 54.577 54.840 0.120 0.000 0.816 31 L CB 0.965 43.093 42.059 0.116 0.000 1.197 31 L HN 0.327 nan 8.230 nan 0.000 0.427 32 I N 5.011 125.658 120.570 0.128 0.000 2.362 32 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 32 I C 0.888 177.011 176.117 0.009 0.000 0.994 32 I CA -0.411 60.911 61.300 0.038 0.000 1.158 32 I CB 0.922 38.933 38.000 0.019 0.000 1.315 32 I HN 0.636 nan 8.210 nan 0.000 0.451 33 G N 6.197 114.788 108.800 -0.349 0.000 2.537 33 G HA2 0.619 4.579 3.960 -0.000 0.000 0.273 33 G HA3 0.619 4.579 3.960 -0.000 0.000 0.273 33 G C -0.710 174.166 174.900 -0.040 0.000 1.189 33 G CA -0.350 44.631 45.100 -0.199 0.000 0.881 33 G HN 0.677 nan 8.290 nan 0.000 0.535 34 L N -1.329 120.044 121.223 0.251 0.000 2.556 34 L HA 0.886 5.226 4.340 -0.000 0.000 0.257 34 L C -1.828 175.297 176.870 0.426 0.000 0.955 34 L CA -1.122 53.844 54.840 0.211 0.000 0.850 34 L CB 2.261 44.368 42.059 0.080 0.000 1.398 34 L HN 0.489 nan 8.230 nan 0.000 0.412 35 F N 2.929 122.985 119.950 0.178 0.000 2.561 35 F HA 0.707 5.234 4.527 -0.000 0.000 0.313 35 F C -1.066 174.823 175.800 0.148 0.000 1.126 35 F CA -0.770 57.375 58.000 0.242 0.000 0.918 35 F CB 1.772 40.874 39.000 0.169 0.000 1.199 35 F HN 0.932 nan 8.300 nan 0.000 0.444 36 C N 8.172 127.210 119.300 -0.436 0.000 2.281 36 C HA 0.593 5.053 4.460 -0.000 0.000 0.323 36 C C -0.302 174.500 174.990 -0.315 0.000 1.270 36 C CA -0.862 57.994 59.018 -0.270 0.000 1.559 36 C CB -0.574 27.018 27.740 -0.247 0.000 2.239 36 C HN 0.774 nan 8.230 nan 0.000 0.488 37 L N 5.908 127.123 121.223 -0.013 0.000 2.454 37 L HA 0.207 4.547 4.340 -0.000 0.000 0.284 37 L C 0.336 177.234 176.870 0.047 0.000 1.139 37 L CA 0.330 55.234 54.840 0.107 0.000 0.911 37 L CB -0.198 41.967 42.059 0.176 0.000 1.262 37 L HN 0.666 nan 8.230 nan 0.000 0.453 38 D N 5.559 125.981 120.400 0.036 0.000 2.339 38 D HA 0.157 4.797 4.640 -0.000 0.000 0.241 38 D C -1.548 174.790 176.300 0.063 0.000 1.183 38 D CA -2.168 51.865 54.000 0.056 0.000 0.859 38 D CB 1.751 42.610 40.800 0.098 0.000 1.067 38 D HN 0.142 nan 8.370 nan 0.000 0.484 39 P HA -0.163 nan 4.420 nan 0.000 0.217 39 P C 1.016 178.330 177.300 0.023 0.000 1.148 39 P CA 1.242 64.369 63.100 0.045 0.000 0.828 39 P CB 0.247 31.966 31.700 0.032 0.000 0.783 40 Q N -1.462 118.341 119.800 0.006 0.000 2.364 40 Q HA -0.059 4.281 4.340 -0.000 0.000 0.207 40 Q C 1.892 177.798 176.000 -0.157 0.000 0.970 40 Q CA 0.874 56.633 55.803 -0.075 0.000 0.888 40 Q CB -0.259 28.425 28.738 -0.089 0.000 0.951 40 Q HN 0.369 nan 8.270 nan 0.000 0.469 41 I N -0.548 119.970 120.570 -0.087 0.000 2.685 41 I HA -0.160 4.010 4.170 -0.000 0.000 0.251 41 I C 1.937 178.065 176.117 0.020 0.000 1.102 41 I CA 0.417 61.676 61.300 -0.068 0.000 1.442 41 I CB -0.015 37.989 38.000 0.008 0.000 1.194 41 I HN 0.120 nan 8.210 nan 0.000 0.448 42 L N 0.526 121.793 121.223 0.073 0.000 2.046 42 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 42 L C 2.277 179.261 176.870 0.189 0.000 1.077 42 L CA 1.376 56.301 54.840 0.141 0.000 0.747 42 L CB -0.503 41.659 42.059 0.172 0.000 0.896 42 L HN 0.354 nan 8.230 nan 0.000 0.432 43 Q N -0.641 119.225 119.800 0.111 0.000 2.403 43 Q HA 0.045 4.385 4.340 -0.000 0.000 0.203 43 Q C 0.949 176.986 176.000 0.060 0.000 0.932 43 Q CA -0.010 55.846 55.803 0.088 0.000 0.945 43 Q CB 0.319 29.084 28.738 0.044 0.000 1.045 43 Q HN 0.291 nan 8.270 nan 0.000 0.511 44 S N 0.352 116.077 115.700 0.042 0.000 2.560 44 S HA 0.177 4.647 4.470 -0.000 0.000 0.284 44 S C 1.166 175.789 174.600 0.038 0.000 1.327 44 S CA 0.223 58.430 58.200 0.012 0.000 1.055 44 S CB 1.017 64.201 63.200 -0.027 0.000 0.868 44 S HN 0.380 nan 8.310 nan 0.000 0.506 45 A N 3.447 126.281 122.820 0.023 0.000 2.172 45 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 45 A C 1.218 178.817 177.584 0.025 0.000 1.154 45 A CA 1.120 53.176 52.037 0.032 0.000 0.701 45 A CB -0.275 18.741 19.000 0.028 0.000 0.789 45 A HN 0.831 nan 8.150 nan 0.000 0.465 46 D N -0.979 119.427 120.400 0.011 0.000 2.358 46 D HA 0.176 4.816 4.640 -0.000 0.000 0.224 46 D C 0.171 176.461 176.300 -0.016 0.000 1.123 46 D CA 0.086 54.084 54.000 -0.003 0.000 0.833 46 D CB 0.072 40.870 40.800 -0.005 0.000 0.946 46 D HN 0.403 nan 8.370 nan 0.000 0.505 47 M N 1.250 120.853 119.600 0.006 0.000 2.144 47 M HA 0.441 4.921 4.480 -0.000 0.000 0.356 47 M C -0.692 175.572 176.300 -0.059 0.000 1.217 47 M CA -0.960 54.334 55.300 -0.009 0.000 1.087 47 M CB 1.092 33.723 32.600 0.051 0.000 1.609 47 M HN -0.076 nan 8.290 nan 0.000 0.467 48 A N 7.399 130.137 122.820 -0.135 0.000 2.301 48 A HA 0.626 4.946 4.320 -0.000 0.000 0.298 48 A C -2.093 175.326 177.584 -0.274 0.000 1.185 48 A CA -1.386 50.520 52.037 -0.218 0.000 0.830 48 A CB -0.045 18.814 19.000 -0.235 0.000 1.112 48 A HN 0.798 nan 8.150 nan 0.000 0.508 49 P HA -0.187 nan 4.420 nan 0.000 0.216 49 P C 1.621 178.691 177.300 -0.383 0.000 1.150 49 P CA 2.178 65.184 63.100 -0.156 0.000 0.837 49 P CB 0.251 32.068 31.700 0.194 0.000 0.786 50 A N -0.628 121.731 122.820 -0.769 0.000 1.969 50 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 50 A C 2.353 179.683 177.584 -0.424 0.000 1.169 50 A CA 1.439 52.715 52.037 -1.269 0.000 0.635 50 A CB -1.005 17.029 19.000 -1.611 0.000 0.810 50 A HN 0.027 nan 8.150 nan 0.000 0.445 51 R N -0.686 119.652 120.500 -0.269 0.000 2.090 51 R HA -0.037 4.303 4.340 -0.000 0.000 0.228 51 R C 1.895 178.120 176.300 -0.126 0.000 1.110 51 R CA 1.370 57.454 56.100 -0.026 0.000 0.973 51 R CB -0.235 30.107 30.300 0.069 0.000 0.869 51 R HN 0.339 nan 8.270 nan 0.000 0.440 52 V N 0.586 120.333 119.914 -0.279 0.000 2.427 52 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 52 V C 2.321 178.282 176.094 -0.221 0.000 1.051 52 V CA 1.813 63.901 62.300 -0.352 0.000 1.048 52 V CB -0.556 30.831 31.823 -0.727 0.000 0.666 52 V HN 0.452 nan 8.190 nan 0.000 0.456 53 A N -0.744 122.019 122.820 -0.096 0.000 1.873 53 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 53 A C 2.174 179.763 177.584 0.009 0.000 1.186 53 A CA 2.003 54.107 52.037 0.111 0.000 0.616 53 A CB -0.755 18.488 19.000 0.405 0.000 0.823 53 A HN 0.595 nan 8.150 nan 0.000 0.442 54 Y N 0.000 120.196 120.300 -0.173 0.000 2.145 54 Y HA -0.156 4.394 4.550 -0.000 0.000 0.286 54 Y C 2.092 177.665 175.900 -0.546 0.000 1.145 54 Y CA 1.834 59.637 58.100 -0.494 0.000 1.148 54 Y CB -0.408 37.846 38.460 -0.344 0.000 0.981 54 Y HN 0.265 nan 8.280 nan 0.000 0.507 55 L N 0.637 121.503 121.223 -0.594 0.000 1.971 55 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 55 L C 2.496 179.027 176.870 -0.564 0.000 1.072 55 L CA 2.426 56.776 54.840 -0.818 0.000 0.758 55 L CB -1.262 40.354 42.059 -0.738 0.000 0.889 55 L HN 0.349 nan 8.230 nan 0.000 0.433 56 Q N -0.244 119.323 119.800 -0.387 0.000 2.152 56 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 56 Q C 2.026 177.849 176.000 -0.296 0.000 0.985 56 Q CA 1.993 57.628 55.803 -0.279 0.000 0.863 56 Q CB -0.634 28.015 28.738 -0.149 0.000 0.904 56 Q HN 0.712 nan 8.270 nan 0.000 0.422 57 G N -0.228 108.357 108.800 -0.358 0.000 2.408 57 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 57 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 57 G C 1.702 176.351 174.900 -0.418 0.000 1.150 57 G CA 0.876 45.755 45.100 -0.367 0.000 0.776 57 G HN 0.459 nan 8.290 nan 0.000 0.542 58 C N 0.318 119.284 119.300 -0.556 0.000 2.440 58 C HA 0.117 4.576 4.460 -0.000 0.000 0.278 58 C C 2.869 177.660 174.990 -0.331 0.000 1.295 58 C CA 0.316 59.058 59.018 -0.460 0.000 1.738 58 C CB -1.002 26.446 27.740 -0.487 0.000 1.987 58 C HN 0.415 nan 8.230 nan 0.000 0.492 59 L N 0.228 121.231 121.223 -0.366 0.000 2.093 59 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 59 L C 2.829 179.577 176.870 -0.203 0.000 1.085 59 L CA 1.418 56.065 54.840 -0.321 0.000 0.755 59 L CB -0.806 41.005 42.059 -0.414 0.000 0.904 59 L HN 0.454 nan 8.230 nan 0.000 0.435 60 Q N -0.167 119.521 119.800 -0.188 0.000 2.096 60 Q HA -0.293 4.046 4.340 -0.000 0.000 0.204 60 Q C 2.131 178.070 176.000 -0.102 0.000 0.982 60 Q CA 1.944 57.673 55.803 -0.123 0.000 0.850 60 Q CB -0.117 28.551 28.738 -0.116 0.000 0.901 60 Q HN 0.510 nan 8.270 nan 0.000 0.422 61 E N 0.368 120.490 120.200 -0.130 0.000 2.072 61 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 61 E C 1.957 178.509 176.600 -0.079 0.000 0.985 61 E CA 0.424 56.762 56.400 -0.103 0.000 0.801 61 E CB 0.048 29.673 29.700 -0.125 0.000 0.750 61 E HN 0.153 nan 8.360 nan 0.000 0.452 62 L N 1.377 122.543 121.223 -0.095 0.000 2.131 62 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 62 L C 2.064 178.973 176.870 0.065 0.000 1.092 62 L CA 1.706 56.517 54.840 -0.049 0.000 0.759 62 L CB -0.334 41.661 42.059 -0.106 0.000 0.903 62 L HN 0.173 nan 8.230 nan 0.000 0.435 63 Q N -1.145 118.669 119.800 0.024 0.000 2.084 63 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 63 Q C 2.200 178.245 176.000 0.075 0.000 0.978 63 Q CA 1.962 57.801 55.803 0.060 0.000 0.844 63 Q CB -0.246 28.496 28.738 0.008 0.000 0.898 63 Q HN 0.663 nan 8.270 nan 0.000 0.426 64 Q N 0.026 119.840 119.800 0.025 0.000 2.050 64 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 64 Q C 2.213 178.222 176.000 0.016 0.000 0.980 64 Q CA 0.745 56.557 55.803 0.015 0.000 0.840 64 Q CB -0.020 28.710 28.738 -0.013 0.000 0.898 64 Q HN 0.228 nan 8.270 nan 0.000 0.424 65 R N -0.079 120.414 120.500 -0.012 0.000 2.091 65 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 65 R C 2.025 178.279 176.300 -0.077 0.000 1.136 65 R CA 1.401 57.459 56.100 -0.070 0.000 0.959 65 R CB -0.607 29.612 30.300 -0.135 0.000 0.856 65 R HN 0.380 nan 8.270 nan 0.000 0.437 66 Y N 1.149 121.445 120.300 -0.007 0.000 2.242 66 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 66 Y C 2.769 178.677 175.900 0.013 0.000 1.137 66 Y CA 1.300 59.409 58.100 0.015 0.000 1.181 66 Y CB -0.204 38.275 38.460 0.032 0.000 0.989 66 Y HN 0.043 nan 8.280 nan 0.000 0.527 67 Q N 0.565 120.461 119.800 0.160 0.000 2.050 67 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 67 Q C 2.026 178.060 176.000 0.057 0.000 0.980 67 Q CA 1.892 57.750 55.803 0.092 0.000 0.840 67 Q CB -0.250 28.523 28.738 0.059 0.000 0.898 67 Q HN 0.582 nan 8.270 nan 0.000 0.424 68 Q N -0.659 119.160 119.800 0.031 0.000 2.124 68 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 68 Q C 1.915 177.917 176.000 0.003 0.000 0.977 68 Q CA 1.410 57.218 55.803 0.008 0.000 0.850 68 Q CB -0.142 28.590 28.738 -0.011 0.000 0.901 68 Q HN 0.406 nan 8.270 nan 0.000 0.429 69 A N -0.372 122.446 122.820 -0.003 0.000 2.015 69 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 69 A C 1.689 179.289 177.584 0.026 0.000 1.163 69 A CA 1.515 53.545 52.037 -0.012 0.000 0.646 69 A CB -0.227 18.735 19.000 -0.063 0.000 0.806 69 A HN 0.502 nan 8.150 nan 0.000 0.448 70 G N -2.363 106.471 108.800 0.057 0.000 2.425 70 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.177 70 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.177 70 G C 0.620 175.570 174.900 0.083 0.000 0.999 70 G CA 0.822 45.957 45.100 0.059 0.000 0.723 70 G HN 1.490 nan 8.290 nan 0.000 0.491 71 S N -0.225 115.557 115.700 0.136 0.000 4.383 71 S HA 0.891 5.361 4.470 -0.000 0.000 0.216 71 S C 0.070 174.751 174.600 0.134 0.000 1.122 71 S CA 0.507 58.787 58.200 0.133 0.000 1.745 71 S CB 1.298 64.593 63.200 0.158 0.000 1.094 71 S HN 1.448 nan 8.310 nan 0.000 0.754 72 R N -0.784 119.772 120.500 0.094 0.000 2.741 72 R HA 0.712 5.052 4.340 -0.000 0.000 0.274 72 R C -2.335 173.816 176.300 -0.248 0.000 1.029 72 R CA -0.979 55.132 56.100 0.018 0.000 0.880 72 R CB 0.632 30.935 30.300 0.005 0.000 1.264 72 R HN 0.567 nan 8.270 nan 0.000 0.465 73 L N 1.823 122.937 121.223 -0.182 0.000 2.298 73 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 73 L C -1.219 175.601 176.870 -0.084 0.000 1.013 73 L CA -0.591 54.097 54.840 -0.253 0.000 0.824 73 L CB 1.389 43.392 42.059 -0.094 0.000 1.221 73 L HN 0.583 nan 8.230 nan 0.000 0.418 74 L N 5.806 126.991 121.223 -0.064 0.000 2.371 74 L HA 0.405 4.745 4.340 -0.000 0.000 0.272 74 L C -0.542 176.356 176.870 0.045 0.000 1.124 74 L CA -0.359 54.475 54.840 -0.009 0.000 0.816 74 L CB 0.932 42.981 42.059 -0.017 0.000 1.129 74 L HN 0.542 nan 8.230 nan 0.000 0.448 75 L N 4.291 125.544 121.223 0.050 0.000 2.341 75 L HA 0.563 4.903 4.340 -0.000 0.000 0.278 75 L C -0.813 176.091 176.870 0.056 0.000 1.005 75 L CA -0.540 54.356 54.840 0.094 0.000 0.818 75 L CB 1.828 43.940 42.059 0.088 0.000 1.259 75 L HN 0.375 nan 8.230 nan 0.000 0.418 76 L N 2.807 124.063 121.223 0.055 0.000 2.333 76 L HA 0.563 4.903 4.340 -0.000 0.000 0.263 76 L C -0.558 176.323 176.870 0.018 0.000 1.014 76 L CA -0.217 54.625 54.840 0.003 0.000 0.820 76 L CB 2.113 44.133 42.059 -0.066 0.000 1.352 76 L HN 0.508 nan 8.230 nan 0.000 0.421 77 Q N 0.561 120.364 119.800 0.005 0.000 2.275 77 Q HA 0.669 5.009 4.340 -0.000 0.000 0.266 77 Q C -0.600 175.398 176.000 -0.005 0.000 1.002 77 Q CA -0.083 55.730 55.803 0.018 0.000 0.761 77 Q CB 1.885 30.644 28.738 0.036 0.000 1.255 77 Q HN 0.873 nan 8.270 nan 0.000 0.446 78 G N 2.588 111.383 108.800 -0.008 0.000 2.332 78 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.265 78 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.265 78 G C -1.776 173.115 174.900 -0.015 0.000 1.329 78 G CA -0.814 44.276 45.100 -0.017 0.000 0.949 78 G HN 0.586 nan 8.290 nan 0.000 0.476 79 D N 0.690 121.080 120.400 -0.016 0.000 2.343 79 D HA 0.551 5.191 4.640 -0.000 0.000 0.255 79 D C -0.946 175.348 176.300 -0.010 0.000 1.187 79 D CA -1.559 52.452 54.000 0.018 0.000 0.875 79 D CB 1.807 42.630 40.800 0.037 0.000 1.136 79 D HN -0.004 nan 8.370 nan 0.000 0.469 80 P HA -0.192 nan 4.420 nan 0.000 0.215 80 P C 0.951 178.109 177.300 -0.236 0.000 1.157 80 P CA 1.395 64.370 63.100 -0.209 0.000 0.868 80 P CB -0.064 31.559 31.700 -0.127 0.000 0.788 81 Q N -1.973 117.754 119.800 -0.121 0.000 2.500 81 Q HA -0.161 4.179 4.340 -0.000 0.000 0.213 81 Q C 1.075 176.947 176.000 -0.213 0.000 0.974 81 Q CA 1.394 57.099 55.803 -0.163 0.000 0.918 81 Q CB -0.622 28.037 28.738 -0.131 0.000 0.980 81 Q HN 0.383 nan 8.270 nan 0.000 0.505 82 H N -0.043 118.954 119.070 -0.122 0.000 2.393 82 H HA 0.232 4.788 4.556 -0.000 0.000 0.301 82 H C 1.759 177.015 175.328 -0.121 0.000 1.019 82 H CA 0.668 56.658 56.048 -0.096 0.000 1.311 82 H CB 0.319 30.040 29.762 -0.069 0.000 1.475 82 H HN 0.037 nan 8.280 nan 0.000 0.572 83 L N -0.139 121.074 121.223 -0.017 0.000 2.093 83 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 83 L C 1.689 178.450 176.870 -0.181 0.000 1.085 83 L CA 0.800 55.583 54.840 -0.095 0.000 0.755 83 L CB -0.287 41.705 42.059 -0.112 0.000 0.904 83 L HN 0.226 nan 8.230 nan 0.000 0.435 84 I N 0.047 120.435 120.570 -0.304 0.000 2.179 84 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 84 I C -0.296 175.691 176.117 -0.217 0.000 1.088 84 I CA 1.660 62.732 61.300 -0.380 0.000 1.357 84 I CB -1.571 36.011 38.000 -0.695 0.000 1.051 84 I HN 0.098 nan 8.210 nan 0.000 0.409 85 P HA -0.162 nan 4.420 nan 0.000 0.216 85 P C 1.687 178.942 177.300 -0.075 0.000 1.153 85 P CA 1.382 64.421 63.100 -0.102 0.000 0.848 85 P CB -0.038 31.599 31.700 -0.105 0.000 0.787 86 Q N -1.017 118.738 119.800 -0.074 0.000 2.084 86 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 86 Q C 2.114 178.085 176.000 -0.047 0.000 0.978 86 Q CA 1.160 56.935 55.803 -0.048 0.000 0.844 86 Q CB -0.823 27.895 28.738 -0.033 0.000 0.898 86 Q HN 0.165 nan 8.270 nan 0.000 0.426 87 L N 0.447 121.629 121.223 -0.068 0.000 2.017 87 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 87 L C 2.169 179.014 176.870 -0.042 0.000 1.073 87 L CA 2.048 56.852 54.840 -0.060 0.000 0.745 87 L CB -0.661 41.344 42.059 -0.089 0.000 0.894 87 L HN 0.124 nan 8.230 nan 0.000 0.432 88 A N -1.098 121.695 122.820 -0.046 0.000 1.902 88 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 88 A C 2.316 179.895 177.584 -0.008 0.000 1.181 88 A CA 1.901 53.929 52.037 -0.016 0.000 0.623 88 A CB -0.715 18.282 19.000 -0.006 0.000 0.818 88 A HN 0.669 nan 8.150 nan 0.000 0.443 89 Q N -1.236 118.554 119.800 -0.017 0.000 2.020 89 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 89 Q C 2.167 178.163 176.000 -0.008 0.000 0.982 89 Q CA 1.505 57.301 55.803 -0.011 0.000 0.838 89 Q CB -0.165 28.564 28.738 -0.017 0.000 0.899 89 Q HN 0.555 nan 8.270 nan 0.000 0.423 90 Q N -0.139 119.654 119.800 -0.012 0.000 2.297 90 Q HA -0.133 4.206 4.340 -0.000 0.000 0.208 90 Q C 1.402 177.400 176.000 -0.004 0.000 0.981 90 Q CA 0.852 56.650 55.803 -0.008 0.000 0.876 90 Q CB 0.062 28.793 28.738 -0.012 0.000 0.921 90 Q HN 0.270 nan 8.270 nan 0.000 0.446 91 L N 0.083 121.304 121.223 -0.002 0.000 2.640 91 L HA 0.130 4.470 4.340 -0.000 0.000 0.230 91 L C 0.484 177.361 176.870 0.011 0.000 1.123 91 L CA 0.414 55.257 54.840 0.005 0.000 0.900 91 L CB -0.164 41.899 42.059 0.006 0.000 1.146 91 L HN 0.234 nan 8.230 nan 0.000 0.484 92 Q N 0.436 120.242 119.800 0.009 0.000 2.431 92 Q HA -0.230 4.110 4.340 -0.000 0.000 0.344 92 Q C -0.065 175.948 176.000 0.021 0.000 1.384 92 Q CA 0.405 56.215 55.803 0.013 0.000 0.984 92 Q CB -0.783 27.962 28.738 0.011 0.000 1.204 92 Q HN 0.504 nan 8.270 nan 0.000 0.392 93 A N 1.227 124.062 122.820 0.026 0.000 2.450 93 A HA 0.101 4.421 4.320 -0.000 0.000 0.255 93 A C 0.797 178.411 177.584 0.050 0.000 1.096 93 A CA 0.387 52.450 52.037 0.043 0.000 0.778 93 A CB 0.607 19.639 19.000 0.052 0.000 1.031 93 A HN 0.730 nan 8.150 nan 0.000 0.494 94 E N 1.616 121.853 120.200 0.061 0.000 2.268 94 E HA 0.181 4.531 4.350 -0.000 0.000 0.195 94 E C 0.439 177.091 176.600 0.087 0.000 0.995 94 E CA 1.122 57.561 56.400 0.064 0.000 0.836 94 E CB 0.018 29.758 29.700 0.067 0.000 0.763 94 E HN 0.971 nan 8.360 nan 0.000 0.491 95 A N -0.823 122.069 122.820 0.120 0.000 2.549 95 A HA 0.443 4.762 4.320 -0.000 0.000 0.291 95 A C -1.649 176.062 177.584 0.212 0.000 1.034 95 A CA -0.649 51.477 52.037 0.149 0.000 0.655 95 A CB 1.474 20.610 19.000 0.227 0.000 1.299 95 A HN -0.016 nan 8.150 nan 0.000 0.427 96 V N 1.551 121.573 119.914 0.180 0.000 2.407 96 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 96 V C -1.243 174.983 176.094 0.221 0.000 1.018 96 V CA -0.390 62.070 62.300 0.267 0.000 0.842 96 V CB 1.013 33.014 31.823 0.297 0.000 0.996 96 V HN 0.747 nan 8.190 nan 0.000 0.426 97 Y N 3.923 124.288 120.300 0.108 0.000 2.457 97 Y HA 0.809 5.359 4.550 -0.000 0.000 0.333 97 Y C -0.099 175.737 175.900 -0.106 0.000 1.119 97 Y CA -0.717 57.380 58.100 -0.005 0.000 1.143 97 Y CB 1.968 40.564 38.460 0.226 0.000 1.230 97 Y HN 0.826 nan 8.280 nan 0.000 0.469 98 W N 0.969 122.169 121.300 -0.167 0.000 3.161 98 W HA 0.477 5.138 4.660 0.000 0.000 0.314 98 W C -2.280 174.112 176.519 -0.211 0.000 1.245 98 W CA -1.110 55.955 57.345 -0.466 0.000 1.191 98 W CB 0.480 29.663 29.460 -0.462 0.000 1.392 98 W HN 0.244 nan 8.180 nan 0.000 0.568 99 N N 2.647 121.427 118.700 0.133 0.000 2.479 99 N HA 0.181 4.921 4.740 -0.000 0.000 0.285 99 N C -0.285 175.210 175.510 -0.026 0.000 1.075 99 N CA -0.599 52.484 53.050 0.055 0.000 0.967 99 N CB 1.351 39.925 38.487 0.145 0.000 1.137 99 N HN 0.551 nan 8.380 nan 0.000 0.472 100 Q N 0.489 120.095 119.800 -0.324 0.000 2.386 100 Q HA -0.006 4.334 4.340 -0.000 0.000 0.282 100 Q C -0.346 175.449 176.000 -0.343 0.000 1.050 100 Q CA 0.497 55.978 55.803 -0.536 0.000 0.918 100 Q CB 0.754 28.604 28.738 -1.480 0.000 1.266 100 Q HN 0.463 nan 8.270 nan 0.000 0.423 101 D N 0.753 121.041 120.400 -0.187 0.000 2.326 101 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 101 D C 0.294 176.708 176.300 0.189 0.000 1.023 101 D CA -0.422 53.577 54.000 -0.001 0.000 0.966 101 D CB 1.121 41.894 40.800 -0.044 0.000 1.156 101 D HN 0.570 nan 8.370 nan 0.000 0.494 102 I N -2.111 118.615 120.570 0.260 0.000 4.181 102 I HA 0.361 4.531 4.170 -0.000 0.000 0.331 102 I C 0.198 176.445 176.117 0.218 0.000 1.312 102 I CA -0.366 61.159 61.300 0.374 0.000 1.146 102 I CB 0.292 38.479 38.000 0.312 0.000 1.074 102 I HN 0.035 nan 8.210 nan 0.000 0.402 103 E N 2.675 122.957 120.200 0.138 0.000 2.301 103 E HA 0.214 4.564 4.350 -0.000 0.000 0.275 103 E C -1.788 174.859 176.600 0.078 0.000 1.030 103 E CA -1.745 54.715 56.400 0.101 0.000 0.852 103 E CB 1.055 30.814 29.700 0.098 0.000 1.060 103 E HN -0.033 nan 8.360 nan 0.000 0.401 104 P HA -0.245 nan 4.420 nan 0.000 0.215 104 P C 1.003 178.341 177.300 0.063 0.000 1.163 104 P CA 1.298 64.432 63.100 0.058 0.000 0.894 104 P CB -0.005 31.741 31.700 0.077 0.000 0.791 105 Y N 0.459 120.763 120.300 0.006 0.000 2.097 105 Y HA -0.153 4.397 4.550 -0.000 0.000 0.282 105 Y C 2.487 178.378 175.900 -0.015 0.000 1.152 105 Y CA 2.226 60.326 58.100 -0.000 0.000 1.136 105 Y CB -1.208 37.254 38.460 0.003 0.000 0.975 105 Y HN -0.132 nan 8.280 nan 0.000 0.498 106 G N 0.068 108.827 108.800 -0.070 0.000 2.442 106 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 106 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 106 G C 1.771 176.544 174.900 -0.211 0.000 1.141 106 G CA 0.901 45.888 45.100 -0.190 0.000 0.763 106 G HN 0.382 nan 8.290 nan 0.000 0.554 107 R N 0.173 120.607 120.500 -0.109 0.000 2.090 107 R HA -0.013 4.327 4.340 -0.000 0.000 0.228 107 R C 2.119 178.362 176.300 -0.095 0.000 1.110 107 R CA 1.258 57.316 56.100 -0.069 0.000 0.973 107 R CB -0.208 30.081 30.300 -0.019 0.000 0.869 107 R HN 0.244 nan 8.270 nan 0.000 0.440 108 D N 0.296 120.615 120.400 -0.135 0.000 2.097 108 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 108 D C 1.867 178.063 176.300 -0.172 0.000 0.984 108 D CA 0.921 54.846 54.000 -0.125 0.000 0.826 108 D CB -0.240 40.495 40.800 -0.108 0.000 0.973 108 D HN 0.155 nan 8.370 nan 0.000 0.460 109 R N 0.975 121.280 120.500 -0.324 0.000 2.083 109 R HA -0.165 4.174 4.340 -0.000 0.000 0.237 109 R C 1.290 177.490 176.300 -0.167 0.000 1.137 109 R CA 1.664 57.578 56.100 -0.311 0.000 0.951 109 R CB -0.105 29.885 30.300 -0.518 0.000 0.851 109 R HN 0.003 nan 8.270 nan 0.000 0.434 110 D N -0.310 119.990 120.400 -0.166 0.000 2.104 110 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 110 D C 1.794 178.160 176.300 0.110 0.000 0.994 110 D CA 1.686 55.655 54.000 -0.052 0.000 0.830 110 D CB -0.702 40.109 40.800 0.018 0.000 0.959 110 D HN 0.538 nan 8.370 nan 0.000 0.452 111 G N 0.541 109.370 108.800 0.049 0.000 2.442 111 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 111 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 111 G C 1.550 176.472 174.900 0.038 0.000 1.141 111 G CA 0.524 45.657 45.100 0.055 0.000 0.763 111 G HN 0.196 nan 8.290 nan 0.000 0.554 112 Q N 0.052 119.849 119.800 -0.005 0.000 2.123 112 Q HA -0.003 4.337 4.340 -0.000 0.000 0.199 112 Q C 2.966 178.951 176.000 -0.024 0.000 0.966 112 Q CA 0.866 56.652 55.803 -0.028 0.000 0.845 112 Q CB -0.521 28.182 28.738 -0.058 0.000 0.907 112 Q HN 0.431 nan 8.270 nan 0.000 0.439 113 V N 1.292 121.199 119.914 -0.012 0.000 2.358 113 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 113 V C 2.420 178.589 176.094 0.125 0.000 1.047 113 V CA 1.698 63.989 62.300 -0.015 0.000 1.035 113 V CB -1.055 30.698 31.823 -0.116 0.000 0.658 113 V HN 0.303 nan 8.190 nan 0.000 0.452 114 A N 0.122 123.100 122.820 0.264 0.000 1.908 114 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 114 A C 2.431 180.066 177.584 0.085 0.000 1.181 114 A CA 2.244 54.425 52.037 0.240 0.000 0.627 114 A CB -0.837 18.287 19.000 0.206 0.000 0.818 114 A HN 0.572 nan 8.150 nan 0.000 0.445 115 A N -0.222 122.626 122.820 0.048 0.000 1.902 115 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 115 A C 2.506 180.085 177.584 -0.009 0.000 1.181 115 A CA 2.131 54.173 52.037 0.008 0.000 0.623 115 A CB -1.020 17.978 19.000 -0.004 0.000 0.818 115 A HN 1.100 nan 8.150 nan 0.000 0.443 116 A N -0.436 122.370 122.820 -0.023 0.000 1.933 116 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 116 A C 2.160 179.726 177.584 -0.029 0.000 1.175 116 A CA 1.440 53.446 52.037 -0.051 0.000 0.628 116 A CB -0.525 18.415 19.000 -0.099 0.000 0.814 116 A HN 0.475 nan 8.150 nan 0.000 0.444 117 L N -0.877 120.348 121.223 0.003 0.000 2.072 117 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 117 L C 2.615 179.486 176.870 0.001 0.000 1.079 117 L CA 1.766 56.614 54.840 0.014 0.000 0.752 117 L CB -0.367 41.730 42.059 0.062 0.000 0.906 117 L HN 0.455 nan 8.230 nan 0.000 0.436 118 K N -0.220 120.180 120.400 -0.001 0.000 2.057 118 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 118 K C 2.002 178.594 176.600 -0.013 0.000 1.049 118 K CA 1.855 58.135 56.287 -0.010 0.000 0.931 118 K CB -0.039 32.454 32.500 -0.012 0.000 0.714 118 K HN 0.174 nan 8.250 nan 0.000 0.440 119 T N 0.622 115.167 114.554 -0.015 0.000 2.720 119 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 119 T C 1.700 176.390 174.700 -0.017 0.000 1.037 119 T CA 1.476 63.565 62.100 -0.018 0.000 1.144 119 T CB -0.265 68.588 68.868 -0.026 0.000 0.864 119 T HN 0.407 nan 8.240 nan 0.000 0.444 120 A N 0.334 123.143 122.820 -0.018 0.000 2.235 120 A HA 0.472 4.792 4.320 -0.000 0.000 0.208 120 A C 1.822 179.401 177.584 -0.009 0.000 1.172 120 A CA 0.821 52.849 52.037 -0.015 0.000 0.786 120 A CB -0.924 18.065 19.000 -0.018 0.000 0.804 120 A HN 0.799 nan 8.150 nan 0.000 0.479 121 G N -0.839 107.956 108.800 -0.009 0.000 2.198 121 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 121 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 121 G C -0.057 174.841 174.900 -0.003 0.000 1.042 121 G CA 0.481 45.577 45.100 -0.006 0.000 0.791 121 G HN 0.516 nan 8.290 nan 0.000 0.502 122 I N -0.141 120.428 120.570 -0.002 0.000 2.433 122 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 122 I C 0.880 176.994 176.117 -0.006 0.000 1.001 122 I CA -1.147 60.156 61.300 0.004 0.000 1.119 122 I CB 1.501 39.509 38.000 0.014 0.000 1.289 122 I HN 0.012 nan 8.210 nan 0.000 0.438 123 R N 4.026 124.518 120.500 -0.014 0.000 2.537 123 R HA 0.499 4.839 4.340 -0.000 0.000 0.280 123 R C -0.317 175.920 176.300 -0.105 0.000 1.058 123 R CA -0.169 55.896 56.100 -0.058 0.000 1.057 123 R CB 0.639 30.908 30.300 -0.051 0.000 0.973 123 R HN 0.702 nan 8.270 nan 0.000 0.438 124 A N 3.100 125.802 122.820 -0.198 0.000 2.319 124 A HA 0.471 4.791 4.320 -0.000 0.000 0.310 124 A C -0.818 176.406 177.584 -0.600 0.000 1.152 124 A CA -0.681 51.137 52.037 -0.365 0.000 0.783 124 A CB 1.308 20.157 19.000 -0.252 0.000 1.184 124 A HN 0.453 nan 8.150 nan 0.000 0.474 125 V N 3.634 123.018 119.914 -0.883 0.000 2.350 125 V HA 0.347 4.467 4.120 -0.000 0.000 0.285 125 V C -0.345 175.147 176.094 -1.003 0.000 1.014 125 V CA -0.309 61.424 62.300 -0.945 0.000 0.831 125 V CB 1.149 32.111 31.823 -1.434 0.000 1.000 125 V HN 0.933 nan 8.190 nan 0.000 0.433 126 Q N 5.688 124.986 119.800 -0.836 0.000 2.368 126 Q HA 0.670 5.010 4.340 -0.000 0.000 0.263 126 Q C -1.134 174.567 176.000 -0.500 0.000 1.009 126 Q CA -0.312 54.991 55.803 -0.833 0.000 0.818 126 Q CB 2.245 30.525 28.738 -0.764 0.000 1.239 126 Q HN 0.630 nan 8.270 nan 0.000 0.464 127 L N 0.812 121.818 121.223 -0.362 0.000 2.322 127 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 127 L C -0.671 176.059 176.870 -0.233 0.000 1.012 127 L CA -1.077 53.636 54.840 -0.211 0.000 0.815 127 L CB 1.385 43.431 42.059 -0.021 0.000 1.295 127 L HN 0.543 nan 8.230 nan 0.000 0.438 128 W N 0.778 122.076 121.300 -0.005 0.000 2.322 128 W HA 0.223 4.883 4.660 -0.000 0.000 0.307 128 W C 0.538 177.073 176.519 0.028 0.000 1.220 128 W CA 0.125 57.470 57.345 0.000 0.000 1.210 128 W CB 1.254 30.692 29.460 -0.036 0.000 1.223 128 W HN 0.614 nan 8.180 nan 0.000 0.511 129 D N 0.127 120.718 120.400 0.318 0.000 2.409 129 D HA -0.150 4.490 4.640 -0.000 0.000 0.301 129 D C 1.783 178.209 176.300 0.211 0.000 1.095 129 D CA 0.201 54.334 54.000 0.221 0.000 0.929 129 D CB 0.213 41.124 40.800 0.185 0.000 1.623 129 D HN 0.510 nan 8.370 nan 0.000 0.506 130 Q N 0.502 120.450 119.800 0.246 0.000 2.482 130 Q HA 0.108 4.448 4.340 -0.000 0.000 0.209 130 Q C -0.206 175.908 176.000 0.190 0.000 0.961 130 Q CA 0.468 56.393 55.803 0.204 0.000 0.945 130 Q CB 0.224 29.078 28.738 0.193 0.000 1.012 130 Q HN 0.292 nan 8.270 nan 0.000 0.515 131 L N 0.777 122.114 121.223 0.190 0.000 2.381 131 L HA 0.305 4.645 4.340 -0.000 0.000 0.268 131 L C 0.665 177.556 176.870 0.035 0.000 0.997 131 L CA -0.739 54.190 54.840 0.149 0.000 0.818 131 L CB 1.882 44.028 42.059 0.146 0.000 1.310 131 L HN 0.068 nan 8.230 nan 0.000 0.416 132 L N 1.635 122.829 121.223 -0.047 0.000 2.131 132 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 132 L C 0.159 176.607 176.870 -0.702 0.000 1.092 132 L CA 1.011 55.593 54.840 -0.429 0.000 0.759 132 L CB -0.273 41.370 42.059 -0.692 0.000 0.903 132 L HN 0.542 nan 8.230 nan 0.000 0.435 133 H N -1.173 117.864 119.070 -0.056 0.000 2.782 133 H HA 0.271 4.827 4.556 -0.000 0.000 0.347 133 H C -0.256 175.034 175.328 -0.064 0.000 1.038 133 H CA -0.995 54.987 56.048 -0.110 0.000 1.255 133 H CB 1.526 31.164 29.762 -0.206 0.000 1.623 133 H HN -0.021 nan 8.280 nan 0.000 0.525 134 S N 2.723 118.263 115.700 -0.267 0.000 2.584 134 S HA 0.097 4.566 4.470 -0.000 0.000 0.270 134 S C -1.701 172.364 174.600 -0.892 0.000 1.346 134 S CA -0.930 56.724 58.200 -0.910 0.000 1.018 134 S CB 1.462 63.892 63.200 -1.283 0.000 0.899 134 S HN 0.292 nan 8.310 nan 0.000 0.542 135 P HA -0.088 nan 4.420 nan 0.000 0.217 135 P C 0.554 177.630 177.300 -0.374 0.000 1.148 135 P CA 1.181 63.531 63.100 -1.250 0.000 0.828 135 P CB -0.031 30.650 31.700 -1.697 0.000 0.783 136 D N -1.378 118.790 120.400 -0.386 0.000 2.347 136 D HA -0.103 4.537 4.640 -0.000 0.000 0.215 136 D C 1.857 178.114 176.300 -0.072 0.000 0.976 136 D CA 0.685 54.626 54.000 -0.099 0.000 0.884 136 D CB -0.192 40.571 40.800 -0.062 0.000 0.915 136 D HN 0.332 nan 8.370 nan 0.000 0.526 137 Q N -0.057 119.673 119.800 -0.117 0.000 2.302 137 Q HA 0.006 4.346 4.340 -0.000 0.000 0.202 137 Q C 0.097 176.067 176.000 -0.049 0.000 0.936 137 Q CA 0.415 56.167 55.803 -0.085 0.000 0.886 137 Q CB 0.572 29.245 28.738 -0.108 0.000 0.986 137 Q HN 0.075 nan 8.270 nan 0.000 0.487 138 I N 2.745 123.353 120.570 0.063 0.000 2.313 138 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 138 I C -0.533 175.726 176.117 0.236 0.000 1.091 138 I CA 0.092 61.476 61.300 0.141 0.000 1.216 138 I CB 0.205 38.350 38.000 0.242 0.000 1.434 138 I HN 0.109 nan 8.210 nan 0.000 0.487 139 L N 3.778 125.067 121.223 0.109 0.000 2.350 139 L HA 0.525 4.864 4.340 -0.000 0.000 0.260 139 L C 0.766 177.555 176.870 -0.135 0.000 1.015 139 L CA -0.672 54.131 54.840 -0.061 0.000 0.821 139 L CB 2.411 44.425 42.059 -0.076 0.000 1.370 139 L HN 0.531 nan 8.230 nan 0.000 0.416 140 S N -0.215 115.234 115.700 -0.419 0.000 2.640 140 S HA 0.187 4.657 4.470 -0.000 0.000 0.262 140 S C 1.205 175.745 174.600 -0.100 0.000 1.232 140 S CA 0.015 58.037 58.200 -0.297 0.000 0.988 140 S CB 0.893 63.847 63.200 -0.410 0.000 1.034 140 S HN 0.814 nan 8.310 nan 0.000 0.569 141 G N -0.037 108.739 108.800 -0.041 0.000 2.448 141 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.219 141 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.219 141 G C 1.071 175.950 174.900 -0.034 0.000 1.127 141 G CA 0.644 45.730 45.100 -0.023 0.000 0.766 141 G HN 0.680 nan 8.290 nan 0.000 0.552 142 S N -0.037 115.633 115.700 -0.049 0.000 2.605 142 S HA 0.368 4.838 4.470 -0.000 0.000 0.217 142 S C 1.623 176.191 174.600 -0.053 0.000 0.958 142 S CA 0.484 58.660 58.200 -0.040 0.000 0.919 142 S CB 0.126 63.307 63.200 -0.031 0.000 0.780 142 S HN 1.113 nan 8.310 nan 0.000 0.507 143 G N 2.433 111.189 108.800 -0.073 0.000 2.198 143 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 143 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 143 G C -0.311 174.528 174.900 -0.101 0.000 1.025 143 G CA -0.269 44.786 45.100 -0.074 0.000 0.769 143 G HN 0.460 nan 8.290 nan 0.000 0.507 144 N N 0.424 119.030 118.700 -0.156 0.000 2.362 144 N HA 0.592 5.332 4.740 -0.000 0.000 0.299 144 N C -2.436 172.889 175.510 -0.308 0.000 1.170 144 N CA -1.444 51.501 53.050 -0.175 0.000 0.825 144 N CB 2.468 40.899 38.487 -0.094 0.000 1.299 144 N HN 0.095 nan 8.380 nan 0.000 0.502 145 P HA 0.134 nan 4.420 nan 0.000 0.272 145 P C -0.976 176.281 177.300 -0.072 0.000 1.240 145 P CA 0.155 63.038 63.100 -0.361 0.000 0.791 145 P CB 0.510 31.727 31.700 -0.806 0.000 0.978 146 Y N -0.389 120.082 120.300 0.285 0.000 2.342 146 Y HA 0.241 4.791 4.550 -0.000 0.000 0.334 146 Y C 1.552 177.729 175.900 0.462 0.000 1.067 146 Y CA 0.177 58.517 58.100 0.400 0.000 1.128 146 Y CB 1.446 40.243 38.460 0.562 0.000 1.200 146 Y HN 0.331 nan 8.280 nan 0.000 0.464 147 S N -0.228 115.813 115.700 0.569 0.000 2.701 147 S HA 0.384 4.854 4.470 -0.000 0.000 0.242 147 S C -0.569 174.345 174.600 0.523 0.000 1.025 147 S CA -0.287 58.188 58.200 0.458 0.000 1.016 147 S CB -0.251 63.079 63.200 0.216 0.000 0.977 147 S HN 0.235 nan 8.310 nan 0.000 0.546 148 V N 2.385 122.620 119.914 0.535 0.000 2.531 148 V HA 0.394 4.514 4.120 -0.000 0.000 0.301 148 V C 0.465 176.639 176.094 0.133 0.000 1.034 148 V CA -0.899 61.588 62.300 0.311 0.000 0.865 148 V CB 1.203 33.169 31.823 0.238 0.000 0.995 148 V HN 0.334 nan 8.190 nan 0.000 0.424 149 Y N 4.579 124.628 120.300 -0.418 0.000 2.128 149 Y HA -0.107 4.443 4.550 0.000 0.000 0.284 149 Y C 2.093 177.856 175.900 -0.229 0.000 1.154 149 Y CA 2.431 60.084 58.100 -0.745 0.000 1.149 149 Y CB -0.495 37.425 38.460 -0.900 0.000 0.976 149 Y HN 0.740 nan 8.280 nan 0.000 0.505 150 G N 0.473 109.181 108.800 -0.152 0.000 2.719 150 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 150 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 150 G C -0.446 174.362 174.900 -0.154 0.000 1.234 150 G CA 1.441 46.472 45.100 -0.114 0.000 0.788 150 G HN 0.381 nan 8.290 nan 0.000 0.619 151 P HA -0.065 nan 4.420 nan 0.000 0.218 151 P C 1.585 178.514 177.300 -0.618 0.000 1.148 151 P CA 0.744 63.739 63.100 -0.176 0.000 0.822 151 P CB -0.119 31.645 31.700 0.107 0.000 0.784 152 F N -0.729 118.701 119.950 -0.868 0.000 2.102 152 F HA -0.152 4.376 4.527 0.000 0.000 0.298 152 F C 2.279 177.764 175.800 -0.525 0.000 1.105 152 F CA 1.311 58.737 58.000 -0.956 0.000 1.239 152 F CB -0.907 37.868 39.000 -0.374 0.000 0.991 152 F HN -0.024 nan 8.300 nan 0.000 0.474 153 W N 2.220 123.178 121.300 -0.569 0.000 2.335 153 W HA -0.280 4.380 4.660 0.000 0.000 0.311 153 W C 2.284 178.619 176.519 -0.307 0.000 1.213 153 W CA 1.922 58.957 57.345 -0.517 0.000 1.274 153 W CB -0.575 28.402 29.460 -0.806 0.000 1.148 153 W HN 0.121 nan 8.180 nan 0.000 0.498 154 K N 0.621 120.722 120.400 -0.498 0.000 2.103 154 K HA -0.286 4.034 4.320 -0.000 0.000 0.207 154 K C 2.012 178.335 176.600 -0.461 0.000 1.048 154 K CA 1.841 57.828 56.287 -0.500 0.000 0.930 154 K CB -0.569 31.774 32.500 -0.261 0.000 0.716 154 K HN 0.077 nan 8.250 nan 0.000 0.444 155 N N 0.320 118.753 118.700 -0.445 0.000 2.092 155 N HA -0.185 4.555 4.740 -0.000 0.000 0.189 155 N C 1.664 176.914 175.510 -0.433 0.000 1.040 155 N CA 1.467 54.292 53.050 -0.375 0.000 0.845 155 N CB -0.658 37.633 38.487 -0.325 0.000 1.017 155 N HN 0.346 nan 8.380 nan 0.000 0.426 156 W N 2.158 123.011 121.300 -0.744 0.000 2.304 156 W HA -0.205 4.455 4.660 0.000 0.000 0.315 156 W C 2.594 178.773 176.519 -0.566 0.000 1.233 156 W CA 2.162 59.104 57.345 -0.671 0.000 1.261 156 W CB -0.441 28.635 29.460 -0.640 0.000 1.150 156 W HN 0.226 nan 8.180 nan 0.000 0.494 157 Q N 0.347 119.913 119.800 -0.389 0.000 2.135 157 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 157 Q C 2.075 177.833 176.000 -0.403 0.000 0.981 157 Q CA 2.098 57.575 55.803 -0.544 0.000 0.856 157 Q CB -0.726 27.292 28.738 -1.201 0.000 0.902 157 Q HN 0.372 nan 8.270 nan 0.000 0.425 158 A N 0.554 123.132 122.820 -0.403 0.000 2.119 158 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 158 A C 0.847 178.243 177.584 -0.313 0.000 1.152 158 A CA 0.110 51.966 52.037 -0.301 0.000 0.708 158 A CB -0.005 18.839 19.000 -0.260 0.000 0.805 158 A HN 0.284 nan 8.150 nan 0.000 0.460 159 Q N 1.201 120.728 119.800 -0.456 0.000 2.332 159 Q HA 0.209 4.549 4.340 -0.000 0.000 0.263 159 Q C -2.431 173.357 176.000 -0.353 0.000 0.979 159 Q CA -1.868 53.630 55.803 -0.509 0.000 0.885 159 Q CB 0.282 28.409 28.738 -1.018 0.000 1.218 159 Q HN 0.323 nan 8.270 nan 0.000 0.405 160 P HA 0.019 nan 4.420 nan 0.000 0.268 160 P C -0.450 176.773 177.300 -0.128 0.000 1.204 160 P CA 0.059 63.075 63.100 -0.140 0.000 0.768 160 P CB 0.701 32.340 31.700 -0.100 0.000 0.842 161 K N 4.348 124.647 120.400 -0.168 0.000 2.234 161 K HA 0.343 4.663 4.320 -0.000 0.000 0.282 161 K C -1.656 174.840 176.600 -0.175 0.000 1.039 161 K CA -1.596 54.508 56.287 -0.305 0.000 0.928 161 K CB 0.273 32.501 32.500 -0.454 0.000 1.039 161 K HN 0.468 nan 8.250 nan 0.000 0.470 162 P HA 0.107 nan 4.420 nan 0.000 0.274 162 P C -0.366 176.913 177.300 -0.035 0.000 1.231 162 P CA -0.274 62.765 63.100 -0.102 0.000 0.790 162 P CB 0.647 32.274 31.700 -0.121 0.000 0.951 163 T N -1.340 113.220 114.554 0.009 0.000 2.944 163 T HA 0.524 4.874 4.350 -0.000 0.000 0.284 163 T C -2.623 172.104 174.700 0.046 0.000 1.010 163 T CA -2.415 59.715 62.100 0.050 0.000 1.025 163 T CB 0.364 69.262 68.868 0.049 0.000 1.079 163 T HN 0.159 nan 8.240 nan 0.000 0.516 164 P HA 0.251 nan 4.420 nan 0.000 0.266 164 P C -0.074 177.246 177.300 0.033 0.000 1.195 164 P CA -0.531 62.600 63.100 0.053 0.000 0.768 164 P CB 0.317 32.053 31.700 0.061 0.000 0.838 165 V N -0.091 119.837 119.914 0.024 0.000 3.234 165 V HA 0.808 4.928 4.120 -0.000 0.000 0.317 165 V C 0.202 176.295 176.094 -0.002 0.000 1.081 165 V CA -1.296 61.009 62.300 0.009 0.000 1.037 165 V CB 0.697 32.523 31.823 0.004 0.000 1.148 165 V HN 0.598 nan 8.190 nan 0.000 0.453 166 A N 0.778 123.590 122.820 -0.012 0.000 2.386 166 A HA 0.551 4.871 4.320 -0.000 0.000 0.248 166 A C 0.541 178.101 177.584 -0.040 0.000 1.082 166 A CA -0.040 51.984 52.037 -0.022 0.000 0.789 166 A CB -0.298 18.689 19.000 -0.022 0.000 1.025 166 A HN 1.006 nan 8.150 nan 0.000 0.490 167 T N 4.358 118.887 114.554 -0.042 0.000 2.817 167 T HA 0.471 4.821 4.350 -0.000 0.000 0.293 167 T C -2.210 172.448 174.700 -0.071 0.000 0.964 167 T CA -0.509 61.553 62.100 -0.064 0.000 1.085 167 T CB 0.675 69.509 68.868 -0.056 0.000 0.921 167 T HN 0.606 nan 8.240 nan 0.000 0.502 168 P HA 0.264 nan 4.420 nan 0.000 0.275 168 P C -0.471 176.787 177.300 -0.070 0.000 1.227 168 P CA -0.329 62.722 63.100 -0.082 0.000 0.781 168 P CB 0.684 32.324 31.700 -0.099 0.000 0.906 169 T N -2.467 112.060 114.554 -0.044 0.000 2.865 169 T HA 0.358 4.708 4.350 -0.000 0.000 0.294 169 T C -0.379 174.313 174.700 -0.014 0.000 1.119 169 T CA -0.931 61.150 62.100 -0.031 0.000 1.007 169 T CB 0.983 69.835 68.868 -0.026 0.000 1.225 169 T HN 0.459 nan 8.240 nan 0.000 0.515 170 E N 0.628 120.825 120.200 -0.006 0.000 2.252 170 E HA -0.149 4.201 4.350 -0.000 0.000 0.218 170 E C -0.382 176.227 176.600 0.014 0.000 1.253 170 E CA 0.043 56.446 56.400 0.004 0.000 0.705 170 E CB -1.722 27.979 29.700 0.001 0.000 1.172 170 E HN 0.513 nan 8.360 nan 0.000 0.369 171 L N 0.011 121.250 121.223 0.027 0.000 2.439 171 L HA 0.402 4.742 4.340 -0.000 0.000 0.261 171 L C 0.746 177.645 176.870 0.047 0.000 1.153 171 L CA -0.809 54.059 54.840 0.047 0.000 0.808 171 L CB 0.749 42.861 42.059 0.088 0.000 1.126 171 L HN -0.073 nan 8.230 nan 0.000 0.460 172 V N 0.795 120.738 119.914 0.049 0.000 2.370 172 V HA 0.172 4.292 4.120 -0.000 0.000 0.283 172 V C -0.069 176.054 176.094 0.049 0.000 1.023 172 V CA -0.557 61.767 62.300 0.041 0.000 0.857 172 V CB 1.468 33.310 31.823 0.032 0.000 0.985 172 V HN 0.658 nan 8.190 nan 0.000 0.443 173 D N 3.082 123.508 120.400 0.045 0.000 2.377 173 D HA 0.341 4.981 4.640 -0.000 0.000 0.245 173 D C 0.090 176.410 176.300 0.032 0.000 1.196 173 D CA -0.097 53.929 54.000 0.043 0.000 0.962 173 D CB 0.908 41.732 40.800 0.039 0.000 1.127 173 D HN 0.350 nan 8.370 nan 0.000 0.471 174 L N 0.770 122.009 121.223 0.027 0.000 2.464 174 L HA 0.200 4.540 4.340 -0.000 0.000 0.264 174 L C 0.965 177.846 176.870 0.017 0.000 1.199 174 L CA -0.415 54.438 54.840 0.020 0.000 0.818 174 L CB 0.806 42.874 42.059 0.015 0.000 1.102 174 L HN 0.435 nan 8.230 nan 0.000 0.473 175 S N 0.476 116.185 115.700 0.015 0.000 2.713 175 S HA 0.407 4.877 4.470 -0.000 0.000 0.283 175 S C -2.069 172.538 174.600 0.010 0.000 1.161 175 S CA -1.284 56.923 58.200 0.013 0.000 0.999 175 S CB 1.522 64.729 63.200 0.012 0.000 1.039 175 S HN 0.352 nan 8.310 nan 0.000 0.548 176 P HA -0.070 nan 4.420 nan 0.000 0.215 176 P C 1.136 178.439 177.300 0.006 0.000 1.153 176 P CA 1.257 64.361 63.100 0.007 0.000 0.853 176 P CB 0.010 31.714 31.700 0.007 0.000 0.788 177 E N -0.533 119.671 120.200 0.006 0.000 2.110 177 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 177 E C 2.121 178.724 176.600 0.005 0.000 0.988 177 E CA 0.964 57.367 56.400 0.005 0.000 0.804 177 E CB -0.303 29.400 29.700 0.006 0.000 0.745 177 E HN 0.441 nan 8.360 nan 0.000 0.458 178 Q N 0.325 120.129 119.800 0.007 0.000 2.083 178 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 178 Q C 2.333 178.335 176.000 0.004 0.000 0.969 178 Q CA 0.774 56.580 55.803 0.006 0.000 0.838 178 Q CB 0.019 28.762 28.738 0.009 0.000 0.900 178 Q HN 0.285 nan 8.270 nan 0.000 0.436 179 L N 0.055 121.281 121.223 0.005 0.000 2.131 179 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 179 L C 2.276 179.147 176.870 0.001 0.000 1.092 179 L CA 1.044 55.886 54.840 0.003 0.000 0.759 179 L CB -0.485 41.577 42.059 0.005 0.000 0.903 179 L HN 0.247 nan 8.230 nan 0.000 0.435 180 T N -0.246 114.309 114.554 0.002 0.000 2.821 180 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 180 T C 2.015 176.715 174.700 -0.000 0.000 1.046 180 T CA 1.160 63.261 62.100 0.001 0.000 1.139 180 T CB -0.126 68.743 68.868 0.002 0.000 0.871 180 T HN 0.438 nan 8.240 nan 0.000 0.454 181 A N 1.650 124.469 122.820 -0.000 0.000 1.972 181 A HA 0.030 4.349 4.320 -0.000 0.000 0.219 181 A C 2.165 179.746 177.584 -0.005 0.000 1.169 181 A CA 1.272 53.308 52.037 -0.002 0.000 0.635 181 A CB -0.679 18.321 19.000 -0.001 0.000 0.810 181 A HN 0.744 nan 8.150 nan 0.000 0.446 182 I N -4.866 115.701 120.570 -0.006 0.000 4.018 182 I HA 0.429 4.599 4.170 -0.000 0.000 0.337 182 I C 1.951 178.063 176.117 -0.009 0.000 1.327 182 I CA 0.642 61.936 61.300 -0.010 0.000 1.100 182 I CB -0.193 37.800 38.000 -0.013 0.000 1.025 182 I HN 0.105 nan 8.210 nan 0.000 0.396 183 A N 3.017 125.834 122.820 -0.006 0.000 1.929 183 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 183 A C 0.262 177.843 177.584 -0.005 0.000 1.211 183 A CA 2.530 54.565 52.037 -0.004 0.000 0.657 183 A CB -2.231 16.768 19.000 -0.002 0.000 0.827 183 A HN 0.451 nan 8.150 nan 0.000 0.462 184 P HA -0.079 nan 4.420 nan 0.000 0.219 184 P C 1.077 178.370 177.300 -0.011 0.000 1.146 184 P CA 0.841 63.936 63.100 -0.008 0.000 0.808 184 P CB -0.090 31.605 31.700 -0.008 0.000 0.779 185 L N -2.462 118.752 121.223 -0.015 0.000 2.509 185 L HA 0.098 4.438 4.340 -0.000 0.000 0.222 185 L C 0.946 177.805 176.870 -0.019 0.000 1.123 185 L CA 0.031 54.858 54.840 -0.022 0.000 0.856 185 L CB -0.311 41.729 42.059 -0.033 0.000 0.985 185 L HN -0.058 nan 8.230 nan 0.000 0.456 186 L N 0.361 121.577 121.223 -0.011 0.000 2.360 186 L HA 0.380 4.720 4.340 -0.000 0.000 0.271 186 L C -0.275 176.598 176.870 0.005 0.000 1.057 186 L CA -0.621 54.217 54.840 -0.003 0.000 0.803 186 L CB 1.604 43.662 42.059 -0.002 0.000 1.207 186 L HN -0.048 nan 8.230 nan 0.000 0.445 187 L N 1.075 122.307 121.223 0.014 0.000 2.312 187 L HA 0.179 4.519 4.340 -0.000 0.000 0.281 187 L C 1.379 178.259 176.870 0.017 0.000 1.070 187 L CA -0.191 54.661 54.840 0.020 0.000 0.805 187 L CB 1.894 43.973 42.059 0.034 0.000 1.174 187 L HN 0.853 nan 8.230 nan 0.000 0.434 188 S N 1.365 117.074 115.700 0.015 0.000 2.402 188 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 188 S C 0.363 174.971 174.600 0.014 0.000 1.021 188 S CA 0.585 58.793 58.200 0.012 0.000 0.974 188 S CB -0.258 62.948 63.200 0.011 0.000 0.800 188 S HN 0.789 nan 8.310 nan 0.000 0.484 189 E N -0.466 119.744 120.200 0.017 0.000 2.437 189 E HA 0.539 4.889 4.350 -0.000 0.000 0.280 189 E C -1.479 175.133 176.600 0.020 0.000 1.044 189 E CA -1.224 55.185 56.400 0.016 0.000 0.826 189 E CB 0.614 30.321 29.700 0.012 0.000 1.358 189 E HN 0.079 nan 8.360 nan 0.000 0.459 190 L N 1.978 123.208 121.223 0.012 0.000 2.418 190 L HA 0.333 4.673 4.340 -0.000 0.000 0.274 190 L C -2.417 174.462 176.870 0.015 0.000 1.135 190 L CA -1.092 53.753 54.840 0.009 0.000 0.870 190 L CB 0.019 42.066 42.059 -0.020 0.000 1.154 190 L HN 0.412 nan 8.230 nan 0.000 0.462 191 P HA 0.189 nan 4.420 nan 0.000 0.269 191 P C -0.712 176.610 177.300 0.037 0.000 1.209 191 P CA -0.312 62.813 63.100 0.041 0.000 0.776 191 P CB 0.409 32.146 31.700 0.061 0.000 0.876 192 T N -0.095 114.485 114.554 0.044 0.000 2.816 192 T HA 0.115 4.465 4.350 -0.000 0.000 0.282 192 T C 1.097 175.846 174.700 0.082 0.000 0.993 192 T CA -0.649 61.480 62.100 0.049 0.000 0.994 192 T CB 0.330 69.227 68.868 0.048 0.000 1.025 192 T HN 0.125 nan 8.240 nan 0.000 0.529 193 L N 1.117 122.398 121.223 0.096 0.000 2.012 193 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 193 L C 2.750 179.734 176.870 0.190 0.000 1.073 193 L CA 2.061 56.995 54.840 0.156 0.000 0.748 193 L CB -0.959 41.200 42.059 0.167 0.000 0.891 193 L HN 0.925 nan 8.230 nan 0.000 0.431 194 K N -1.511 118.969 120.400 0.132 0.000 2.057 194 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 194 K C 2.103 178.750 176.600 0.080 0.000 1.049 194 K CA 1.558 57.907 56.287 0.103 0.000 0.931 194 K CB -0.651 31.892 32.500 0.073 0.000 0.714 194 K HN 0.268 nan 8.250 nan 0.000 0.440 195 Q N 1.532 121.376 119.800 0.075 0.000 2.170 195 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 195 Q C 1.897 177.939 176.000 0.069 0.000 0.976 195 Q CA 1.324 57.162 55.803 0.058 0.000 0.858 195 Q CB -0.203 28.567 28.738 0.053 0.000 0.907 195 Q HN 0.484 nan 8.270 nan 0.000 0.433 196 L N -1.467 119.829 121.223 0.122 0.000 2.552 196 L HA 0.157 4.497 4.340 -0.000 0.000 0.227 196 L C 1.130 178.046 176.870 0.078 0.000 1.146 196 L CA 0.530 55.473 54.840 0.172 0.000 0.858 196 L CB -0.189 42.059 42.059 0.315 0.000 0.969 196 L HN 0.514 nan 8.230 nan 0.000 0.451 197 G N -0.629 108.175 108.800 0.007 0.000 2.130 197 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 197 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 197 G C -0.102 174.588 174.900 -0.350 0.000 0.999 197 G CA -0.438 44.552 45.100 -0.184 0.000 0.686 197 G HN 0.166 nan 8.290 nan 0.000 0.515 198 F N 0.914 120.898 119.950 0.057 0.000 2.575 198 F HA 0.699 5.226 4.527 0.000 0.000 0.330 198 F C 0.066 175.926 175.800 0.099 0.000 1.056 198 F CA -0.417 57.628 58.000 0.076 0.000 0.964 198 F CB 1.845 40.890 39.000 0.076 0.000 1.258 198 F HN 0.191 nan 8.300 nan 0.000 0.484 199 D N 0.206 120.820 120.400 0.356 0.000 2.947 199 D HA 0.173 4.813 4.640 -0.000 0.000 0.224 199 D C -1.923 174.600 176.300 0.371 0.000 1.230 199 D CA -0.406 53.756 54.000 0.271 0.000 0.871 199 D CB 2.195 43.092 40.800 0.162 0.000 1.671 199 D HN 0.713 nan 8.370 nan 0.000 0.507 200 W N 2.912 124.260 121.300 0.080 0.000 3.439 200 W HA 0.320 4.980 4.660 -0.000 0.000 0.323 200 W C -1.767 174.743 176.519 -0.015 0.000 1.174 200 W CA -0.580 56.783 57.345 0.031 0.000 1.224 200 W CB 2.201 31.678 29.460 0.029 0.000 1.348 200 W HN 0.534 nan 8.180 nan 0.000 0.498 201 D N 1.984 121.860 120.400 -0.873 0.000 2.594 201 D HA 0.202 4.842 4.640 -0.000 0.000 0.256 201 D C 1.476 177.221 176.300 -0.925 0.000 1.393 201 D CA 0.524 54.118 54.000 -0.676 0.000 0.797 201 D CB 0.397 40.996 40.800 -0.334 0.000 1.110 201 D HN 0.449 nan 8.370 nan 0.000 0.495 202 G N -0.364 107.344 108.800 -1.819 0.000 2.985 202 G HA2 0.460 4.420 3.960 -0.000 0.000 0.209 202 G HA3 0.460 4.420 3.960 -0.000 0.000 0.209 202 G C 0.980 175.574 174.900 -0.511 0.000 1.165 202 G CA 0.239 44.641 45.100 -1.163 0.000 0.776 202 G HN 0.555 nan 8.290 nan 0.000 0.541 203 G N -0.857 107.618 108.800 -0.542 0.000 2.725 203 G HA2 0.038 3.998 3.960 -0.000 0.000 0.220 203 G HA3 0.038 3.998 3.960 -0.000 0.000 0.220 203 G C -0.615 174.054 174.900 -0.385 0.000 1.357 203 G CA -0.525 44.383 45.100 -0.320 0.000 0.866 203 G HN 0.532 nan 8.290 nan 0.000 0.548 204 F N -1.314 118.785 119.950 0.248 0.000 2.626 204 F HA 0.606 5.133 4.527 0.000 0.000 0.311 204 F C -1.555 174.261 175.800 0.026 0.000 1.088 204 F CA -1.454 56.658 58.000 0.186 0.000 0.949 204 F CB 1.656 40.791 39.000 0.226 0.000 1.322 204 F HN 0.299 nan 8.300 nan 0.000 0.461 205 P HA -0.001 nan 4.420 nan 0.000 0.223 205 P C -0.643 176.597 177.300 -0.100 0.000 1.151 205 P CA 0.889 63.840 63.100 -0.249 0.000 0.787 205 P CB 0.619 31.930 31.700 -0.649 0.000 0.788 206 V N -0.734 119.213 119.914 0.054 0.000 2.852 206 V HA 0.204 4.324 4.120 -0.000 0.000 0.300 206 V C -1.158 175.042 176.094 0.176 0.000 1.205 206 V CA -0.982 61.367 62.300 0.082 0.000 0.940 206 V CB 2.118 33.968 31.823 0.045 0.000 1.047 206 V HN -0.273 nan 8.190 nan 0.000 0.429 207 E N 5.704 125.982 120.200 0.129 0.000 2.437 207 E HA 0.195 4.545 4.350 -0.000 0.000 0.263 207 E C -2.415 174.138 176.600 -0.078 0.000 1.030 207 E CA -1.353 55.083 56.400 0.060 0.000 0.934 207 E CB 0.288 30.017 29.700 0.048 0.000 0.943 207 E HN 0.551 nan 8.360 nan 0.000 0.444 208 P HA 0.169 nan 4.420 nan 0.000 0.267 208 P C -0.198 176.836 177.300 -0.443 0.000 1.200 208 P CA 0.654 63.307 63.100 -0.746 0.000 0.772 208 P CB 0.529 31.695 31.700 -0.889 0.000 0.855 209 G N 1.352 109.872 108.800 -0.467 0.000 2.674 209 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 209 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 209 G C 0.575 175.407 174.900 -0.112 0.000 1.195 209 G CA -0.061 44.891 45.100 -0.247 0.000 0.776 209 G HN 0.528 nan 8.290 nan 0.000 0.654 210 E N -0.079 120.074 120.200 -0.079 0.000 2.058 210 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 210 E C 2.378 178.970 176.600 -0.012 0.000 0.997 210 E CA 2.387 58.773 56.400 -0.023 0.000 0.801 210 E CB -0.215 29.468 29.700 -0.029 0.000 0.746 210 E HN 0.594 nan 8.360 nan 0.000 0.450 211 T N 0.562 115.098 114.554 -0.030 0.000 2.684 211 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 211 T C 1.871 176.567 174.700 -0.006 0.000 1.036 211 T CA 1.657 63.746 62.100 -0.019 0.000 1.148 211 T CB -0.430 68.421 68.868 -0.028 0.000 0.863 211 T HN 0.405 nan 8.240 nan 0.000 0.436 212 A N 1.153 123.964 122.820 -0.014 0.000 1.972 212 A HA 0.197 4.517 4.320 -0.000 0.000 0.219 212 A C 2.593 180.194 177.584 0.028 0.000 1.169 212 A CA 1.774 53.813 52.037 0.003 0.000 0.635 212 A CB -0.953 18.043 19.000 -0.008 0.000 0.810 212 A HN 0.514 nan 8.150 nan 0.000 0.446 213 A N 0.014 122.858 122.820 0.039 0.000 1.873 213 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 213 A C 2.092 179.712 177.584 0.061 0.000 1.186 213 A CA 1.424 53.502 52.037 0.069 0.000 0.616 213 A CB -0.554 18.504 19.000 0.097 0.000 0.823 213 A HN 0.472 nan 8.150 nan 0.000 0.442 214 I N -0.247 120.352 120.570 0.048 0.000 2.286 214 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 214 I C 2.901 179.041 176.117 0.038 0.000 1.115 214 I CA 0.962 62.290 61.300 0.046 0.000 1.392 214 I CB -0.260 37.760 38.000 0.033 0.000 1.065 214 I HN 0.376 nan 8.210 nan 0.000 0.418 215 A N 0.749 123.587 122.820 0.030 0.000 1.930 215 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 215 A C 2.323 179.926 177.584 0.033 0.000 1.175 215 A CA 1.638 53.690 52.037 0.025 0.000 0.627 215 A CB -0.428 18.583 19.000 0.018 0.000 0.815 215 A HN 0.279 nan 8.150 nan 0.000 0.443 216 R N -0.190 120.332 120.500 0.037 0.000 2.075 216 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 216 R C 1.888 178.222 176.300 0.056 0.000 1.126 216 R CA 1.688 57.812 56.100 0.040 0.000 0.963 216 R CB -1.031 29.284 30.300 0.023 0.000 0.858 216 R HN 0.413 nan 8.270 nan 0.000 0.435 217 L N 0.949 122.206 121.223 0.056 0.000 2.012 217 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 217 L C 1.989 178.893 176.870 0.056 0.000 1.073 217 L CA 2.005 56.885 54.840 0.067 0.000 0.748 217 L CB -0.645 41.467 42.059 0.088 0.000 0.891 217 L HN 0.346 nan 8.230 nan 0.000 0.431 218 Q N -0.668 119.155 119.800 0.039 0.000 2.084 218 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 218 Q C 2.149 178.153 176.000 0.005 0.000 0.978 218 Q CA 1.972 57.784 55.803 0.015 0.000 0.844 218 Q CB -0.207 28.539 28.738 0.014 0.000 0.898 218 Q HN 0.652 nan 8.270 nan 0.000 0.426 219 E N -0.032 120.185 120.200 0.029 0.000 2.106 219 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 219 E C 1.601 178.221 176.600 0.033 0.000 0.984 219 E CA 0.753 57.169 56.400 0.027 0.000 0.806 219 E CB -0.075 29.651 29.700 0.043 0.000 0.750 219 E HN 0.236 nan 8.360 nan 0.000 0.458 220 F N 0.680 120.561 119.950 -0.115 0.000 2.113 220 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 220 F C 1.995 177.658 175.800 -0.228 0.000 1.103 220 F CA 1.006 58.900 58.000 -0.177 0.000 1.248 220 F CB -0.315 38.533 39.000 -0.253 0.000 0.999 220 F HN 0.002 nan 8.300 nan 0.000 0.475 221 C N 0.516 119.661 119.300 -0.258 0.000 2.456 221 C HA -0.077 4.383 4.460 -0.000 0.000 0.279 221 C C 2.126 176.966 174.990 -0.249 0.000 1.427 221 C CA 0.815 59.626 59.018 -0.345 0.000 1.778 221 C CB -1.223 26.401 27.740 -0.195 0.000 1.842 221 C HN 0.438 nan 8.230 nan 0.000 0.531 222 D N -0.293 120.004 120.400 -0.171 0.000 2.289 222 D HA 0.020 4.660 4.640 -0.000 0.000 0.207 222 D C 2.366 178.583 176.300 -0.138 0.000 0.966 222 D CA 0.861 54.788 54.000 -0.122 0.000 0.868 222 D CB 0.154 40.911 40.800 -0.070 0.000 0.943 222 D HN 0.388 nan 8.370 nan 0.000 0.514 223 R N -0.968 119.417 120.500 -0.191 0.000 5.324 223 R HA 0.322 4.662 4.340 -0.000 0.000 0.103 223 R C 1.752 177.911 176.300 -0.235 0.000 0.980 223 R CA 0.722 56.722 56.100 -0.167 0.000 0.877 223 R CB -0.975 29.270 30.300 -0.091 0.000 1.354 223 R HN -0.035 nan 8.270 nan 0.000 0.391 224 A N 2.047 124.727 122.820 -0.233 0.000 1.997 224 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 224 A C 2.082 179.389 177.584 -0.462 0.000 1.172 224 A CA 1.886 53.791 52.037 -0.219 0.000 0.645 224 A CB -0.853 18.147 19.000 -0.000 0.000 0.813 224 A HN 0.406 nan 8.150 nan 0.000 0.454 225 I N -0.683 119.275 120.570 -1.021 0.000 2.335 225 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 225 I C 2.579 178.496 176.117 -0.333 0.000 1.129 225 I CA 1.126 61.809 61.300 -1.029 0.000 1.402 225 I CB -0.153 37.118 38.000 -1.215 0.000 1.069 225 I HN 0.370 nan 8.210 nan 0.000 0.424 226 A N -0.276 122.395 122.820 -0.248 0.000 2.070 226 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 226 A C 1.634 179.205 177.584 -0.021 0.000 1.159 226 A CA 1.872 53.846 52.037 -0.105 0.000 0.656 226 A CB -0.358 18.582 19.000 -0.100 0.000 0.800 226 A HN 0.505 nan 8.150 nan 0.000 0.453 227 D N -2.604 117.795 120.400 -0.002 0.000 2.395 227 D HA 0.070 4.710 4.640 -0.000 0.000 0.213 227 D C 0.972 177.348 176.300 0.126 0.000 1.110 227 D CA -0.197 53.839 54.000 0.059 0.000 0.835 227 D CB -0.125 40.708 40.800 0.054 0.000 0.965 227 D HN 0.468 nan 8.370 nan 0.000 0.505 228 Y N 2.244 122.565 120.300 0.034 0.000 2.096 228 Y HA -0.260 4.290 4.550 -0.000 0.000 0.278 228 Y C 0.526 176.499 175.900 0.122 0.000 1.192 228 Y CA 1.589 59.771 58.100 0.137 0.000 1.143 228 Y CB 0.015 38.596 38.460 0.203 0.000 0.963 228 Y HN -0.157 nan 8.280 nan 0.000 0.505 229 D N -0.125 120.317 120.400 0.069 0.000 2.303 229 D HA 0.227 4.866 4.640 -0.000 0.000 0.236 229 D C -2.155 174.159 176.300 0.023 0.000 1.068 229 D CA -2.495 51.489 54.000 -0.027 0.000 0.830 229 D CB 1.430 42.259 40.800 0.047 0.000 1.109 229 D HN 0.081 nan 8.370 nan 0.000 0.496 230 P HA 0.045 nan 4.420 nan 0.000 0.268 230 P C 0.610 177.850 177.300 -0.100 0.000 1.329 230 P CA -0.061 63.004 63.100 -0.059 0.000 0.899 230 P CB 0.725 32.440 31.700 0.025 0.000 1.378 231 Q N 0.999 120.820 119.800 0.036 0.000 2.368 231 Q HA -0.152 4.188 4.340 -0.000 0.000 0.210 231 Q C 2.136 178.133 176.000 -0.005 0.000 0.982 231 Q CA 1.169 57.057 55.803 0.141 0.000 0.884 231 Q CB -0.691 28.154 28.738 0.177 0.000 0.933 231 Q HN 0.565 nan 8.270 nan 0.000 0.460 232 R N -0.117 120.228 120.500 -0.258 0.000 2.189 232 R HA 0.001 4.341 4.340 -0.000 0.000 0.223 232 R C 1.139 177.313 176.300 -0.209 0.000 1.092 232 R CA 1.082 56.987 56.100 -0.324 0.000 0.989 232 R CB -0.216 29.516 30.300 -0.947 0.000 0.876 232 R HN 0.144 nan 8.270 nan 0.000 0.457 233 N N 0.412 118.831 118.700 -0.468 0.000 2.457 233 N HA -0.014 4.726 4.740 -0.000 0.000 0.180 233 N C -0.630 174.519 175.510 -0.601 0.000 1.050 233 N CA 0.655 53.329 53.050 -0.626 0.000 0.906 233 N CB 0.126 38.156 38.487 -0.762 0.000 0.968 233 N HN 0.137 nan 8.380 nan 0.000 0.445 234 F N 0.457 120.409 119.950 0.003 0.000 2.361 234 F HA 0.375 4.902 4.527 -0.000 0.000 0.364 234 F C -1.521 174.017 175.800 -0.436 0.000 1.117 234 F CA -2.690 55.245 58.000 -0.110 0.000 1.071 234 F CB 1.486 40.485 39.000 -0.002 0.000 1.188 234 F HN -0.221 nan 8.300 nan 0.000 0.464 235 P HA -0.217 nan 4.420 nan 0.000 0.218 235 P C 1.473 178.696 177.300 -0.128 0.000 1.148 235 P CA 1.860 64.422 63.100 -0.896 0.000 0.822 235 P CB 0.275 31.290 31.700 -1.141 0.000 0.784 236 A N -0.810 122.057 122.820 0.077 0.000 1.969 236 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 236 A C 1.166 178.858 177.584 0.179 0.000 1.169 236 A CA 1.201 53.373 52.037 0.225 0.000 0.635 236 A CB -0.672 18.424 19.000 0.160 0.000 0.810 236 A HN 0.091 nan 8.150 nan 0.000 0.445 237 E N -0.401 119.897 120.200 0.163 0.000 2.331 237 E HA 0.464 4.814 4.350 -0.000 0.000 0.272 237 E C -0.278 176.455 176.600 0.221 0.000 1.036 237 E CA 0.126 56.636 56.400 0.183 0.000 0.864 237 E CB 1.108 30.946 29.700 0.231 0.000 1.035 237 E HN 0.224 nan 8.360 nan 0.000 0.408 238 A N 2.455 125.400 122.820 0.208 0.000 3.126 238 A HA 0.365 4.685 4.320 -0.000 0.000 0.268 238 A C 1.145 178.882 177.584 0.255 0.000 1.605 238 A CA 0.079 52.253 52.037 0.227 0.000 1.305 238 A CB -0.715 18.382 19.000 0.162 0.000 1.160 238 A HN 0.573 nan 8.150 nan 0.000 0.609 239 G N 0.026 109.013 108.800 0.311 0.000 3.088 239 G HA2 0.253 4.213 3.960 -0.000 0.000 0.217 239 G HA3 0.253 4.213 3.960 -0.000 0.000 0.217 239 G C 0.816 176.012 174.900 0.493 0.000 1.159 239 G CA 0.861 46.168 45.100 0.345 0.000 0.760 239 G HN 0.695 nan 8.290 nan 0.000 0.550 240 T N -2.703 112.114 114.554 0.439 0.000 2.910 240 T HA 0.467 4.817 4.350 -0.000 0.000 0.279 240 T C 1.777 176.480 174.700 0.005 0.000 0.989 240 T CA 0.468 62.824 62.100 0.426 0.000 0.968 240 T CB 1.576 70.686 68.868 0.403 0.000 1.135 240 T HN 0.105 nan 8.240 nan 0.000 0.562 241 S N -0.690 114.763 115.700 -0.412 0.000 2.406 241 S HA 0.288 4.758 4.470 -0.000 0.000 0.224 241 S C 2.023 176.430 174.600 -0.321 0.000 1.030 241 S CA 0.737 58.423 58.200 -0.856 0.000 0.958 241 S CB -1.193 61.387 63.200 -1.034 0.000 0.811 241 S HN 2.225 nan 8.310 nan 0.000 0.489 242 G N 1.009 109.709 108.800 -0.168 0.000 2.148 242 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 242 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 242 G C 0.474 175.285 174.900 -0.148 0.000 0.981 242 G CA 0.473 45.412 45.100 -0.269 0.000 0.670 242 G HN 0.544 nan 8.290 nan 0.000 0.528 243 L N 1.489 122.683 121.223 -0.049 0.000 2.599 243 L HA 0.060 4.400 4.340 -0.000 0.000 0.230 243 L C 2.889 179.780 176.870 0.036 0.000 1.141 243 L CA 1.066 55.915 54.840 0.015 0.000 0.877 243 L CB -0.279 41.828 42.059 0.080 0.000 1.009 243 L HN 0.491 nan 8.230 nan 0.000 0.447 244 S N 1.024 116.760 115.700 0.060 0.000 2.378 244 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 244 S C -0.275 174.309 174.600 -0.025 0.000 1.052 244 S CA 1.464 59.696 58.200 0.053 0.000 1.084 244 S CB -2.053 61.239 63.200 0.153 0.000 0.950 244 S HN 0.333 nan 8.310 nan 0.000 0.440 245 P HA 0.122 nan 4.420 nan 0.000 0.221 245 P C 1.496 178.708 177.300 -0.147 0.000 1.150 245 P CA 1.516 64.443 63.100 -0.289 0.000 0.800 245 P CB -0.213 31.064 31.700 -0.706 0.000 0.787 246 A N -0.011 122.802 122.820 -0.011 0.000 1.969 246 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 246 A C 2.333 180.022 177.584 0.175 0.000 1.169 246 A CA 1.042 53.203 52.037 0.208 0.000 0.635 246 A CB -1.403 17.702 19.000 0.176 0.000 0.810 246 A HN 0.145 nan 8.150 nan 0.000 0.445 247 L N -0.917 120.365 121.223 0.098 0.000 2.209 247 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 247 L C 2.579 179.476 176.870 0.046 0.000 1.094 247 L CA 1.087 55.978 54.840 0.087 0.000 0.790 247 L CB -0.281 41.815 42.059 0.062 0.000 0.932 247 L HN 0.300 nan 8.230 nan 0.000 0.447 248 K N 0.587 120.967 120.400 -0.034 0.000 2.057 248 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 248 K C 1.662 178.116 176.600 -0.243 0.000 1.050 248 K CA 1.731 57.904 56.287 -0.190 0.000 0.935 248 K CB -0.045 32.246 32.500 -0.348 0.000 0.715 248 K HN 0.183 nan 8.250 nan 0.000 0.439 249 F N 0.161 120.182 119.950 0.119 0.000 2.727 249 F HA 0.238 4.765 4.527 -0.000 0.000 0.302 249 F C 1.254 177.154 175.800 0.167 0.000 1.097 249 F CA 0.537 58.637 58.000 0.166 0.000 1.330 249 F CB 0.271 39.420 39.000 0.248 0.000 1.084 249 F HN 0.304 nan 8.300 nan 0.000 0.578 250 G N 0.557 109.521 108.800 0.272 0.000 2.198 250 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 250 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 250 G C 1.306 176.335 174.900 0.215 0.000 1.025 250 G CA 0.378 45.616 45.100 0.229 0.000 0.769 250 G HN 0.563 nan 8.290 nan 0.000 0.507 251 A N -1.318 121.641 122.820 0.231 0.000 2.067 251 A HA 0.498 4.818 4.320 -0.000 0.000 0.219 251 A C 1.136 178.798 177.584 0.129 0.000 1.158 251 A CA 1.644 53.776 52.037 0.158 0.000 0.661 251 A CB 0.178 19.288 19.000 0.184 0.000 0.801 251 A HN 1.304 nan 8.150 nan 0.000 0.452 252 I N -1.526 119.134 120.570 0.150 0.000 2.608 252 I HA 0.615 4.785 4.170 -0.000 0.000 0.295 252 I C 0.409 176.611 176.117 0.142 0.000 1.049 252 I CA -0.597 60.783 61.300 0.134 0.000 1.063 252 I CB 1.729 39.815 38.000 0.143 0.000 1.248 252 I HN 0.040 nan 8.210 nan 0.000 0.424 253 G N 5.371 114.250 108.800 0.131 0.000 2.444 253 G HA2 0.312 4.272 3.960 -0.000 0.000 0.268 253 G HA3 0.312 4.272 3.960 -0.000 0.000 0.268 253 G C 0.538 175.531 174.900 0.155 0.000 1.203 253 G CA -0.289 44.891 45.100 0.133 0.000 0.835 253 G HN 0.721 nan 8.290 nan 0.000 0.543 254 I N 1.020 121.683 120.570 0.155 0.000 2.493 254 I HA -0.055 4.115 4.170 -0.000 0.000 0.254 254 I C 2.580 178.821 176.117 0.207 0.000 1.160 254 I CA 1.094 62.501 61.300 0.178 0.000 1.445 254 I CB -0.035 38.057 38.000 0.153 0.000 1.086 254 I HN 0.572 nan 8.210 nan 0.000 0.433 255 R N -0.493 120.103 120.500 0.160 0.000 2.119 255 R HA -0.047 4.293 4.340 -0.000 0.000 0.222 255 R C 2.173 178.601 176.300 0.214 0.000 1.088 255 R CA 1.071 57.273 56.100 0.171 0.000 0.984 255 R CB -0.271 30.086 30.300 0.095 0.000 0.884 255 R HN 0.479 nan 8.270 nan 0.000 0.447 256 Q N 0.192 120.098 119.800 0.176 0.000 2.079 256 Q HA -0.084 4.255 4.340 -0.000 0.000 0.200 256 Q C 2.231 178.354 176.000 0.204 0.000 0.974 256 Q CA 1.540 57.439 55.803 0.160 0.000 0.840 256 Q CB -0.140 28.673 28.738 0.126 0.000 0.898 256 Q HN 0.348 nan 8.270 nan 0.000 0.430 257 A N 1.135 124.110 122.820 0.258 0.000 1.877 257 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 257 A C 1.781 179.605 177.584 0.400 0.000 1.186 257 A CA 1.143 53.388 52.037 0.346 0.000 0.620 257 A CB -1.152 18.084 19.000 0.394 0.000 0.822 257 A HN 0.696 nan 8.150 nan 0.000 0.443 258 W N 0.657 122.091 121.300 0.223 0.000 2.358 258 W HA -0.192 4.468 4.660 -0.000 0.000 0.303 258 W C 2.177 178.796 176.519 0.168 0.000 1.208 258 W CA 2.046 59.517 57.345 0.211 0.000 1.274 258 W CB -0.337 29.208 29.460 0.143 0.000 1.138 258 W HN 0.608 nan 8.180 nan 0.000 0.515 259 Q N 0.476 120.434 119.800 0.263 0.000 2.079 259 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 259 Q C 2.403 178.431 176.000 0.046 0.000 0.974 259 Q CA 2.147 58.036 55.803 0.143 0.000 0.840 259 Q CB -0.457 28.377 28.738 0.160 0.000 0.898 259 Q HN 0.153 nan 8.270 nan 0.000 0.430 260 A N 0.699 123.561 122.820 0.069 0.000 1.933 260 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 260 A C 2.222 179.790 177.584 -0.028 0.000 1.175 260 A CA 1.737 53.790 52.037 0.026 0.000 0.628 260 A CB -0.827 18.200 19.000 0.046 0.000 0.814 260 A HN 0.557 nan 8.150 nan 0.000 0.444 261 A N -1.145 121.655 122.820 -0.033 0.000 1.929 261 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 261 A C 2.451 179.953 177.584 -0.137 0.000 1.176 261 A CA 1.901 53.889 52.037 -0.082 0.000 0.628 261 A CB -0.831 18.190 19.000 0.035 0.000 0.816 261 A HN 0.540 nan 8.150 nan 0.000 0.444 262 S N -0.333 115.225 115.700 -0.236 0.000 2.383 262 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 262 S C 2.093 176.678 174.600 -0.024 0.000 1.026 262 S CA 1.435 59.519 58.200 -0.194 0.000 0.981 262 S CB -0.379 62.686 63.200 -0.225 0.000 0.818 262 S HN 0.753 nan 8.310 nan 0.000 0.472 263 A N 0.791 123.599 122.820 -0.020 0.000 1.968 263 A HA 0.371 4.691 4.320 -0.000 0.000 0.217 263 A C 2.330 179.910 177.584 -0.007 0.000 1.169 263 A CA 1.454 53.493 52.037 0.003 0.000 0.638 263 A CB -0.985 18.017 19.000 0.003 0.000 0.812 263 A HN 0.685 nan 8.150 nan 0.000 0.446 264 A N -1.453 121.351 122.820 -0.026 0.000 1.968 264 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 264 A C 2.079 179.647 177.584 -0.027 0.000 1.169 264 A CA 1.454 53.460 52.037 -0.051 0.000 0.638 264 A CB -0.807 18.132 19.000 -0.102 0.000 0.812 264 A HN 0.719 nan 8.150 nan 0.000 0.446 265 H N 0.042 119.065 119.070 -0.078 0.000 2.357 265 H HA 0.021 4.577 4.556 -0.000 0.000 0.301 265 H C 2.169 177.477 175.328 -0.033 0.000 1.082 265 H CA 1.533 57.548 56.048 -0.054 0.000 1.342 265 H CB -0.045 29.683 29.762 -0.056 0.000 1.389 265 H HN 0.404 nan 8.280 nan 0.000 0.511 266 A N 0.911 123.766 122.820 0.058 0.000 1.968 266 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 266 A C 2.439 180.000 177.584 -0.039 0.000 1.169 266 A CA 0.976 53.027 52.037 0.023 0.000 0.638 266 A CB -0.548 18.489 19.000 0.061 0.000 0.812 266 A HN 0.403 nan 8.150 nan 0.000 0.446 267 L N -0.271 120.926 121.223 -0.043 0.000 2.179 267 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 267 L C 1.461 178.287 176.870 -0.073 0.000 1.096 267 L CA 1.247 56.058 54.840 -0.049 0.000 0.779 267 L CB -0.476 41.557 42.059 -0.043 0.000 0.922 267 L HN 0.267 nan 8.230 nan 0.000 0.443 268 S N -0.037 115.599 115.700 -0.106 0.000 2.568 268 S HA 0.084 4.554 4.470 -0.000 0.000 0.282 268 S C 1.218 175.745 174.600 -0.120 0.000 1.338 268 S CA -0.324 57.804 58.200 -0.120 0.000 1.045 268 S CB 0.313 63.420 63.200 -0.155 0.000 0.873 268 S HN 0.530 nan 8.310 nan 0.000 0.516 269 R N 2.209 122.656 120.500 -0.088 0.000 2.509 269 R HA 0.202 4.542 4.340 -0.000 0.000 0.297 269 R C 0.232 176.495 176.300 -0.062 0.000 0.951 269 R CA -0.151 55.906 56.100 -0.071 0.000 1.103 269 R CB -0.904 29.367 30.300 -0.049 0.000 1.283 269 R HN 0.462 nan 8.270 nan 0.000 0.534 270 S N 0.736 116.397 115.700 -0.066 0.000 2.508 270 S HA 0.268 4.738 4.470 -0.000 0.000 0.284 270 S C 0.131 174.702 174.600 -0.048 0.000 1.192 270 S CA -0.464 57.708 58.200 -0.047 0.000 1.070 270 S CB 1.519 64.696 63.200 -0.039 0.000 1.004 270 S HN 0.077 nan 8.310 nan 0.000 0.493 271 D N 3.187 123.572 120.400 -0.026 0.000 2.097 271 D HA -0.080 4.560 4.640 -0.000 0.000 0.195 271 D C 1.725 178.027 176.300 0.004 0.000 0.989 271 D CA 1.486 55.480 54.000 -0.010 0.000 0.827 271 D CB -0.072 40.731 40.800 0.004 0.000 0.966 271 D HN 0.792 nan 8.370 nan 0.000 0.456 272 E N 0.279 120.483 120.200 0.006 0.000 2.118 272 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 272 E C 2.011 178.624 176.600 0.021 0.000 0.992 272 E CA 0.966 57.378 56.400 0.020 0.000 0.804 272 E CB -0.033 29.677 29.700 0.017 0.000 0.741 272 E HN 0.198 nan 8.360 nan 0.000 0.458 273 A N 1.590 124.408 122.820 -0.005 0.000 1.930 273 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 273 A C 2.042 179.624 177.584 -0.004 0.000 1.175 273 A CA 0.875 52.902 52.037 -0.017 0.000 0.627 273 A CB -0.235 18.734 19.000 -0.052 0.000 0.815 273 A HN 0.050 nan 8.150 nan 0.000 0.443 274 R N -0.022 120.461 120.500 -0.028 0.000 2.080 274 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 274 R C 2.040 178.433 176.300 0.155 0.000 1.137 274 R CA 1.756 57.850 56.100 -0.010 0.000 0.943 274 R CB -1.200 29.058 30.300 -0.069 0.000 0.846 274 R HN 0.698 nan 8.270 nan 0.000 0.431 275 N N 0.818 119.585 118.700 0.112 0.000 2.043 275 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 275 N C 1.656 177.255 175.510 0.148 0.000 1.037 275 N CA 2.092 55.218 53.050 0.126 0.000 0.851 275 N CB -0.168 38.372 38.487 0.088 0.000 1.027 275 N HN 0.018 nan 8.380 nan 0.000 0.422 276 S N -0.222 115.559 115.700 0.136 0.000 2.387 276 S HA -0.093 4.377 4.470 -0.000 0.000 0.230 276 S C 1.889 176.629 174.600 0.233 0.000 1.035 276 S CA 1.200 59.517 58.200 0.197 0.000 1.014 276 S CB -0.366 62.921 63.200 0.145 0.000 0.836 276 S HN 0.381 nan 8.310 nan 0.000 0.466 277 I N 0.729 121.395 120.570 0.161 0.000 2.439 277 I HA -0.091 4.079 4.170 -0.000 0.000 0.251 277 I C 2.496 178.718 176.117 0.176 0.000 1.139 277 I CA 0.749 62.137 61.300 0.147 0.000 1.438 277 I CB -0.236 37.839 38.000 0.125 0.000 1.085 277 I HN 0.132 nan 8.210 nan 0.000 0.427 278 R N 0.529 121.136 120.500 0.180 0.000 2.115 278 R HA -0.058 4.282 4.340 -0.000 0.000 0.230 278 R C 2.298 178.682 176.300 0.140 0.000 1.111 278 R CA 1.021 57.203 56.100 0.137 0.000 0.976 278 R CB -0.677 29.713 30.300 0.150 0.000 0.870 278 R HN 0.270 nan 8.270 nan 0.000 0.445 279 V N -0.427 119.592 119.914 0.175 0.000 2.358 279 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 279 V C 1.969 178.184 176.094 0.202 0.000 1.047 279 V CA 1.418 63.824 62.300 0.177 0.000 1.035 279 V CB -0.528 31.462 31.823 0.278 0.000 0.658 279 V HN 0.360 nan 8.190 nan 0.000 0.452 280 W N 0.820 122.108 121.300 -0.019 0.000 2.358 280 W HA -0.177 4.482 4.660 -0.000 0.000 0.303 280 W C 2.589 179.058 176.519 -0.083 0.000 1.208 280 W CA 1.814 58.976 57.345 -0.305 0.000 1.274 280 W CB -0.265 28.943 29.460 -0.420 0.000 1.138 280 W HN 0.229 nan 8.180 nan 0.000 0.515 281 Q N -0.479 119.392 119.800 0.119 0.000 2.135 281 Q HA -0.327 4.013 4.340 -0.000 0.000 0.204 281 Q C 2.154 178.254 176.000 0.166 0.000 0.981 281 Q CA 1.964 57.834 55.803 0.112 0.000 0.856 281 Q CB -0.515 28.236 28.738 0.021 0.000 0.902 281 Q HN 0.470 nan 8.270 nan 0.000 0.425 282 Q N 0.250 120.051 119.800 0.002 0.000 2.291 282 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 282 Q C 1.507 177.364 176.000 -0.239 0.000 0.970 282 Q CA 0.702 56.352 55.803 -0.254 0.000 0.876 282 Q CB 0.328 28.724 28.738 -0.570 0.000 0.935 282 Q HN 0.254 nan 8.270 nan 0.000 0.455 283 E N 0.463 120.536 120.200 -0.211 0.000 2.110 283 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 283 E C 1.980 178.478 176.600 -0.170 0.000 0.988 283 E CA 0.873 57.170 56.400 -0.171 0.000 0.804 283 E CB -0.130 29.359 29.700 -0.352 0.000 0.745 283 E HN 0.480 nan 8.360 nan 0.000 0.458 284 L N 0.249 121.336 121.223 -0.227 0.000 2.201 284 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 284 L C 2.457 179.245 176.870 -0.136 0.000 1.105 284 L CA 0.905 55.682 54.840 -0.105 0.000 0.775 284 L CB -0.534 41.575 42.059 0.083 0.000 0.913 284 L HN 0.038 nan 8.230 nan 0.000 0.440 285 A N -0.676 121.959 122.820 -0.307 0.000 1.929 285 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 285 A C 2.020 179.469 177.584 -0.225 0.000 1.176 285 A CA 0.810 52.372 52.037 -0.791 0.000 0.628 285 A CB -0.758 17.921 19.000 -0.536 0.000 0.816 285 A HN 0.548 nan 8.150 nan 0.000 0.444 286 W N 1.181 122.305 121.300 -0.293 0.000 2.388 286 W HA -0.098 4.561 4.660 -0.000 0.000 0.294 286 W C 2.386 178.745 176.519 -0.267 0.000 1.212 286 W CA 1.206 58.352 57.345 -0.332 0.000 1.271 286 W CB -0.437 28.742 29.460 -0.468 0.000 1.126 286 W HN 0.432 nan 8.180 nan 0.000 0.535 287 R N 0.638 121.135 120.500 -0.004 0.000 2.081 287 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 287 R C 1.983 178.276 176.300 -0.013 0.000 1.131 287 R CA 2.060 58.148 56.100 -0.021 0.000 0.960 287 R CB -0.502 29.782 30.300 -0.027 0.000 0.856 287 R HN 0.147 nan 8.270 nan 0.000 0.436 288 E N -0.130 120.041 120.200 -0.049 0.000 2.150 288 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 288 E C 1.812 178.242 176.600 -0.282 0.000 0.985 288 E CA 0.985 57.353 56.400 -0.052 0.000 0.814 288 E CB -0.298 29.433 29.700 0.051 0.000 0.752 288 E HN 0.355 nan 8.360 nan 0.000 0.466 289 F N 1.358 120.932 119.950 -0.626 0.000 2.095 289 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 289 F C 1.951 177.474 175.800 -0.462 0.000 1.104 289 F CA 1.450 58.804 58.000 -1.076 0.000 1.232 289 F CB -0.377 38.087 39.000 -0.894 0.000 0.987 289 F HN -0.086 nan 8.300 nan 0.000 0.475 290 Y N 0.685 120.800 120.300 -0.309 0.000 2.263 290 Y HA -0.128 4.422 4.550 0.000 0.000 0.292 290 Y C 2.611 178.400 175.900 -0.184 0.000 1.130 290 Y CA 1.376 59.286 58.100 -0.316 0.000 1.179 290 Y CB -1.160 37.160 38.460 -0.233 0.000 0.998 290 Y HN 0.221 nan 8.280 nan 0.000 0.532 291 Q N -0.973 118.868 119.800 0.068 0.000 2.079 291 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 291 Q C 1.888 177.982 176.000 0.158 0.000 0.974 291 Q CA 1.343 57.219 55.803 0.123 0.000 0.840 291 Q CB -0.312 28.523 28.738 0.162 0.000 0.898 291 Q HN 0.707 nan 8.270 nan 0.000 0.430 292 H N -0.295 118.738 119.070 -0.061 0.000 2.389 292 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 292 H C 2.104 177.416 175.328 -0.026 0.000 1.081 292 H CA 0.534 56.549 56.048 -0.055 0.000 1.345 292 H CB 0.228 30.078 29.762 0.146 0.000 1.393 292 H HN 0.280 nan 8.280 nan 0.000 0.520 293 A N 1.288 124.116 122.820 0.013 0.000 1.902 293 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 293 A C 2.324 179.964 177.584 0.093 0.000 1.181 293 A CA 1.164 53.218 52.037 0.028 0.000 0.623 293 A CB -0.634 18.248 19.000 -0.197 0.000 0.818 293 A HN 0.283 nan 8.150 nan 0.000 0.443 294 L N -1.664 119.599 121.223 0.066 0.000 2.083 294 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 294 L C 2.268 179.178 176.870 0.067 0.000 1.083 294 L CA 2.267 57.155 54.840 0.080 0.000 0.752 294 L CB -0.896 41.209 42.059 0.077 0.000 0.899 294 L HN 0.535 nan 8.230 nan 0.000 0.433 295 Y N -0.737 119.505 120.300 -0.098 0.000 2.114 295 Y HA -0.267 4.283 4.550 0.000 0.000 0.284 295 Y C 2.699 178.446 175.900 -0.255 0.000 1.143 295 Y CA 2.177 60.167 58.100 -0.183 0.000 1.135 295 Y CB -0.242 38.015 38.460 -0.339 0.000 0.980 295 Y HN 0.336 nan 8.280 nan 0.000 0.499 296 H N -1.407 117.604 119.070 -0.099 0.000 2.395 296 H HA -0.000 4.556 4.556 -0.000 0.000 0.299 296 H C -0.113 174.806 175.328 -0.682 0.000 1.070 296 H CA 1.174 56.925 56.048 -0.495 0.000 1.356 296 H CB -0.259 29.027 29.762 -0.793 0.000 1.401 296 H HN 0.252 nan 8.280 nan 0.000 0.524 297 F N 1.441 121.471 119.950 0.134 0.000 2.531 297 F HA 0.279 4.806 4.527 -0.000 0.000 0.333 297 F C -1.634 174.211 175.800 0.074 0.000 1.292 297 F CA -2.864 55.199 58.000 0.105 0.000 1.184 297 F CB 1.103 40.119 39.000 0.027 0.000 1.426 297 F HN -0.065 nan 8.300 nan 0.000 0.559 298 P HA -0.220 nan 4.420 nan 0.000 0.218 298 P C 1.566 178.967 177.300 0.168 0.000 1.146 298 P CA 1.632 64.802 63.100 0.116 0.000 0.813 298 P CB 0.109 31.836 31.700 0.044 0.000 0.778 299 S N -0.670 115.174 115.700 0.240 0.000 2.500 299 S HA -0.092 4.378 4.470 -0.000 0.000 0.239 299 S C 2.040 176.819 174.600 0.297 0.000 0.989 299 S CA 0.481 58.830 58.200 0.249 0.000 0.951 299 S CB -1.612 61.750 63.200 0.270 0.000 0.759 299 S HN 0.093 nan 8.310 nan 0.000 0.523 300 L N 0.973 122.372 121.223 0.292 0.000 2.079 300 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 300 L C 3.078 180.081 176.870 0.221 0.000 1.081 300 L CA 1.259 56.242 54.840 0.238 0.000 0.752 300 L CB -0.781 41.321 42.059 0.071 0.000 0.896 300 L HN 0.512 nan 8.230 nan 0.000 0.433 301 A N -0.539 122.382 122.820 0.169 0.000 2.070 301 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 301 A C 1.766 179.428 177.584 0.129 0.000 1.159 301 A CA 1.699 53.820 52.037 0.140 0.000 0.656 301 A CB -0.392 18.671 19.000 0.105 0.000 0.800 301 A HN 0.393 nan 8.150 nan 0.000 0.453 302 D N -0.823 119.656 120.400 0.132 0.000 2.269 302 D HA 0.282 4.922 4.640 -0.000 0.000 0.208 302 D C 1.224 177.545 176.300 0.035 0.000 0.963 302 D CA 1.438 55.485 54.000 0.079 0.000 0.864 302 D CB 0.153 41.004 40.800 0.084 0.000 0.936 302 D HN 0.596 nan 8.370 nan 0.000 0.505 303 G N -0.225 108.641 108.800 0.110 0.000 2.302 303 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.276 303 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.276 303 G C -2.782 172.264 174.900 0.242 0.000 1.316 303 G CA -1.148 43.934 45.100 -0.029 0.000 0.988 303 G HN -0.195 nan 8.290 nan 0.000 0.479 304 P HA 0.046 nan 4.420 nan 0.000 0.257 304 P C -0.126 177.424 177.300 0.417 0.000 1.153 304 P CA 0.667 64.057 63.100 0.483 0.000 0.762 304 P CB 0.106 32.065 31.700 0.431 0.000 0.743 305 Y N 5.452 125.925 120.300 0.288 0.000 2.177 305 Y HA 0.054 4.604 4.550 -0.000 0.000 0.291 305 Y C 1.174 177.184 175.900 0.183 0.000 1.117 305 Y CA 1.049 59.264 58.100 0.191 0.000 1.114 305 Y CB 0.020 38.564 38.460 0.140 0.000 1.017 305 Y HN 0.161 nan 8.280 nan 0.000 0.505 306 R N 0.763 121.459 120.500 0.326 0.000 2.640 306 R HA -0.004 4.336 4.340 -0.000 0.000 0.270 306 R C 1.733 178.141 176.300 0.181 0.000 1.024 306 R CA 0.527 56.768 56.100 0.236 0.000 1.085 306 R CB 0.508 31.060 30.300 0.420 0.000 0.963 306 R HN 0.454 nan 8.270 nan 0.000 0.426 307 S N 3.272 119.005 115.700 0.055 0.000 2.374 307 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 307 S C 1.832 176.436 174.600 0.007 0.000 1.037 307 S CA 0.957 59.165 58.200 0.012 0.000 1.024 307 S CB -0.238 62.944 63.200 -0.029 0.000 0.861 307 S HN 0.613 nan 8.310 nan 0.000 0.456 308 L N 0.245 121.450 121.223 -0.030 0.000 2.012 308 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 308 L C 2.167 178.899 176.870 -0.229 0.000 1.073 308 L CA 1.984 56.702 54.840 -0.202 0.000 0.748 308 L CB -1.528 40.326 42.059 -0.341 0.000 0.891 308 L HN 0.494 nan 8.230 nan 0.000 0.431 309 W N 0.338 121.698 121.300 0.100 0.000 2.519 309 W HA -0.098 4.562 4.660 -0.000 0.000 0.266 309 W C 2.614 179.227 176.519 0.156 0.000 1.253 309 W CA 0.428 57.862 57.345 0.147 0.000 1.274 309 W CB -0.246 29.349 29.460 0.225 0.000 1.114 309 W HN 0.295 nan 8.180 nan 0.000 0.596 310 Q N 0.058 120.018 119.800 0.266 0.000 2.436 310 Q HA -0.153 4.187 4.340 -0.000 0.000 0.209 310 Q C 1.629 177.691 176.000 0.103 0.000 0.965 310 Q CA 0.961 56.872 55.803 0.180 0.000 0.910 310 Q CB -0.149 28.648 28.738 0.098 0.000 0.980 310 Q HN 0.517 nan 8.270 nan 0.000 0.491 311 Q N -0.835 118.986 119.800 0.036 0.000 2.317 311 Q HA 0.097 4.437 4.340 -0.000 0.000 0.220 311 Q C -0.236 175.679 176.000 -0.140 0.000 0.873 311 Q CA -0.445 55.323 55.803 -0.059 0.000 0.936 311 Q CB 0.406 29.074 28.738 -0.115 0.000 1.105 311 Q HN 0.177 nan 8.270 nan 0.000 0.520 312 F N 5.083 124.836 119.950 -0.328 0.000 2.623 312 F HA -0.031 4.496 4.527 -0.000 0.000 0.386 312 F C -1.777 173.657 175.800 -0.610 0.000 1.068 312 F CA -1.595 56.045 58.000 -0.599 0.000 1.265 312 F CB 0.747 39.245 39.000 -0.837 0.000 1.026 312 F HN -0.042 nan 8.300 nan 0.000 0.568 313 P HA 0.020 nan 4.420 nan 0.000 0.238 313 P C -1.205 175.772 177.300 -0.539 0.000 1.794 313 P CA -0.209 62.490 63.100 -0.667 0.000 1.088 313 P CB -0.521 30.809 31.700 -0.616 0.000 1.923 314 W N 1.423 122.693 121.300 -0.051 0.000 2.264 314 W HA 0.096 4.755 4.660 -0.000 0.000 0.331 314 W C 1.848 178.360 176.519 -0.012 0.000 1.364 314 W CA -0.212 57.187 57.345 0.089 0.000 1.253 314 W CB 0.601 30.123 29.460 0.104 0.000 1.215 314 W HN 0.420 nan 8.180 nan 0.000 0.561 315 E N 2.283 122.639 120.200 0.260 0.000 2.046 315 E HA -0.278 4.072 4.350 -0.000 0.000 0.190 315 E C 0.351 177.017 176.600 0.109 0.000 0.982 315 E CA 1.067 57.541 56.400 0.125 0.000 0.800 315 E CB -0.052 29.715 29.700 0.112 0.000 0.756 315 E HN 0.513 nan 8.360 nan 0.000 0.449 316 N N 1.308 120.083 118.700 0.124 0.000 2.708 316 N HA -0.179 4.561 4.740 -0.000 0.000 0.255 316 N C -1.237 174.292 175.510 0.031 0.000 1.046 316 N CA 0.753 53.825 53.050 0.037 0.000 0.715 316 N CB -1.256 37.233 38.487 0.004 0.000 0.895 316 N HN 0.257 nan 8.380 nan 0.000 0.545 317 R N 0.830 121.364 120.500 0.057 0.000 2.248 317 R HA 0.045 4.385 4.340 -0.000 0.000 0.337 317 R C 1.369 177.723 176.300 0.090 0.000 1.085 317 R CA -0.434 55.705 56.100 0.065 0.000 0.934 317 R CB 0.848 31.191 30.300 0.073 0.000 1.034 317 R HN 0.184 nan 8.270 nan 0.000 0.465 318 E N 3.546 123.796 120.200 0.083 0.000 2.070 318 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 318 E C 1.679 178.383 176.600 0.173 0.000 1.004 318 E CA 2.250 58.730 56.400 0.133 0.000 0.805 318 E CB 0.019 29.778 29.700 0.099 0.000 0.744 318 E HN 0.715 nan 8.360 nan 0.000 0.451 319 A N 0.308 123.201 122.820 0.121 0.000 1.948 319 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 319 A C 2.344 180.004 177.584 0.126 0.000 1.177 319 A CA 1.622 53.725 52.037 0.109 0.000 0.636 319 A CB -0.745 18.306 19.000 0.084 0.000 0.815 319 A HN 0.358 nan 8.150 nan 0.000 0.449 320 L N -2.263 119.046 121.223 0.142 0.000 2.093 320 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 320 L C 2.485 179.481 176.870 0.210 0.000 1.085 320 L CA 1.440 56.376 54.840 0.161 0.000 0.755 320 L CB -0.542 41.594 42.059 0.129 0.000 0.904 320 L HN 0.517 nan 8.230 nan 0.000 0.435 321 F N 1.121 121.108 119.950 0.062 0.000 2.075 321 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 321 F C 2.498 178.375 175.800 0.128 0.000 1.113 321 F CA 2.050 60.088 58.000 0.063 0.000 1.218 321 F CB -0.668 38.325 39.000 -0.013 0.000 0.984 321 F HN -0.072 nan 8.300 nan 0.000 0.472 322 T N 0.982 115.518 114.554 -0.030 0.000 2.665 322 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 322 T C 2.216 176.843 174.700 -0.121 0.000 1.035 322 T CA 1.786 63.804 62.100 -0.136 0.000 1.151 322 T CB -1.035 67.848 68.868 0.024 0.000 0.862 322 T HN 0.393 nan 8.240 nan 0.000 0.438 323 A N 0.263 123.086 122.820 0.006 0.000 1.940 323 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 323 A C 2.041 179.651 177.584 0.043 0.000 1.176 323 A CA 1.719 53.779 52.037 0.039 0.000 0.631 323 A CB -1.127 17.939 19.000 0.110 0.000 0.814 323 A HN 0.719 nan 8.150 nan 0.000 0.446 324 W N 1.547 122.763 121.300 -0.141 0.000 2.354 324 W HA -0.217 4.443 4.660 -0.000 0.000 0.315 324 W C 2.668 178.988 176.519 -0.333 0.000 1.206 324 W CA 3.074 60.334 57.345 -0.140 0.000 1.290 324 W CB -0.629 28.784 29.460 -0.079 0.000 1.152 324 W HN 0.412 nan 8.180 nan 0.000 0.489 325 T N -1.214 113.002 114.554 -0.562 0.000 2.881 325 T HA -0.238 4.112 4.350 -0.000 0.000 0.270 325 T C 1.367 175.759 174.700 -0.514 0.000 1.068 325 T CA 1.674 63.144 62.100 -1.050 0.000 1.131 325 T CB -0.499 67.568 68.868 -1.336 0.000 0.871 325 T HN 0.424 nan 8.240 nan 0.000 0.479 326 Q N 0.701 120.324 119.800 -0.294 0.000 2.246 326 Q HA 0.602 4.942 4.340 -0.000 0.000 0.202 326 Q C 1.102 177.038 176.000 -0.107 0.000 0.883 326 Q CA 0.155 55.874 55.803 -0.139 0.000 0.952 326 Q CB 0.232 28.926 28.738 -0.072 0.000 1.078 326 Q HN 0.664 nan 8.270 nan 0.000 0.493 327 A N 1.287 124.008 122.820 -0.165 0.000 2.822 327 A HA -0.199 4.121 4.320 -0.000 0.000 0.287 327 A C 0.583 178.155 177.584 -0.019 0.000 1.479 327 A CA 0.815 52.793 52.037 -0.098 0.000 0.779 327 A CB -1.257 17.709 19.000 -0.056 0.000 1.022 327 A HN 0.386 nan 8.150 nan 0.000 0.532 328 Q N -0.581 119.201 119.800 -0.029 0.000 2.211 328 Q HA 0.136 4.476 4.340 -0.000 0.000 0.301 328 Q C 1.517 177.512 176.000 -0.008 0.000 0.884 328 Q CA 0.721 56.499 55.803 -0.042 0.000 1.115 328 Q CB 0.112 28.830 28.738 -0.032 0.000 1.217 328 Q HN 1.053 nan 8.270 nan 0.000 0.451 329 T N -4.240 110.346 114.554 0.054 0.000 3.014 329 T HA 0.107 4.457 4.350 -0.000 0.000 0.263 329 T C 1.443 176.276 174.700 0.222 0.000 1.078 329 T CA 1.103 63.322 62.100 0.198 0.000 1.135 329 T CB 0.235 69.234 68.868 0.219 0.000 0.895 329 T HN 0.439 nan 8.240 nan 0.000 0.480 330 G N 0.272 109.074 108.800 0.003 0.000 2.175 330 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 330 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 330 G C -0.211 174.726 174.900 0.061 0.000 0.982 330 G CA -0.007 45.019 45.100 -0.123 0.000 0.641 330 G HN 0.600 nan 8.290 nan 0.000 0.527 331 Y N 0.713 121.054 120.300 0.068 0.000 2.504 331 Y HA 0.456 5.006 4.550 -0.000 0.000 0.339 331 Y C -0.874 175.082 175.900 0.094 0.000 0.974 331 Y CA -2.005 56.121 58.100 0.043 0.000 1.232 331 Y CB 1.582 39.939 38.460 -0.171 0.000 1.108 331 Y HN -0.023 nan 8.280 nan 0.000 0.509 332 P HA -0.311 nan 4.420 nan 0.000 0.218 332 P C 1.877 179.261 177.300 0.140 0.000 1.165 332 P CA 1.590 64.778 63.100 0.147 0.000 0.922 332 P CB 0.290 32.007 31.700 0.027 0.000 0.794 333 I N -1.156 119.501 120.570 0.145 0.000 2.335 333 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 333 I C 1.855 178.056 176.117 0.140 0.000 1.129 333 I CA 1.576 62.977 61.300 0.169 0.000 1.402 333 I CB -0.585 37.502 38.000 0.145 0.000 1.069 333 I HN -0.218 nan 8.210 nan 0.000 0.424 334 V N 0.366 120.314 119.914 0.057 0.000 2.346 334 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 334 V C 2.097 178.179 176.094 -0.020 0.000 1.037 334 V CA 1.919 64.195 62.300 -0.040 0.000 1.029 334 V CB -0.817 30.803 31.823 -0.338 0.000 0.663 334 V HN 0.346 nan 8.190 nan 0.000 0.454 335 D N 0.686 121.110 120.400 0.039 0.000 2.178 335 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 335 D C 2.199 178.527 176.300 0.048 0.000 0.974 335 D CA 1.497 55.527 54.000 0.051 0.000 0.841 335 D CB -0.186 40.731 40.800 0.195 0.000 0.953 335 D HN 0.427 nan 8.370 nan 0.000 0.478 336 A N 1.132 124.004 122.820 0.087 0.000 1.933 336 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 336 A C 2.310 179.877 177.584 -0.029 0.000 1.175 336 A CA 1.974 54.052 52.037 0.069 0.000 0.628 336 A CB -0.509 18.547 19.000 0.093 0.000 0.814 336 A HN 0.236 nan 8.150 nan 0.000 0.444 337 A N -0.883 121.990 122.820 0.089 0.000 1.872 337 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 337 A C 2.110 179.611 177.584 -0.138 0.000 1.187 337 A CA 1.792 53.856 52.037 0.046 0.000 0.614 337 A CB -0.446 18.614 19.000 0.100 0.000 0.826 337 A HN 0.394 nan 8.150 nan 0.000 0.442 338 M N -0.510 118.998 119.600 -0.153 0.000 2.279 338 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 338 M C 2.046 178.229 176.300 -0.195 0.000 1.062 338 M CA 1.080 56.241 55.300 -0.233 0.000 1.099 338 M CB -1.169 31.205 32.600 -0.376 0.000 1.394 338 M HN 0.333 nan 8.290 nan 0.000 0.426 339 R N -0.028 120.376 120.500 -0.159 0.000 2.073 339 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 339 R C 2.088 178.233 176.300 -0.258 0.000 1.120 339 R CA 1.085 57.119 56.100 -0.110 0.000 0.967 339 R CB -0.558 29.757 30.300 0.026 0.000 0.862 339 R HN 0.564 nan 8.270 nan 0.000 0.436 340 Q N 0.783 120.225 119.800 -0.597 0.000 2.084 340 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 340 Q C 2.073 177.793 176.000 -0.467 0.000 0.978 340 Q CA 1.372 56.525 55.803 -1.084 0.000 0.844 340 Q CB -0.067 27.857 28.738 -1.356 0.000 0.898 340 Q HN 0.154 nan 8.270 nan 0.000 0.426 341 L N 0.709 121.740 121.223 -0.319 0.000 1.976 341 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 341 L C 2.499 179.308 176.870 -0.100 0.000 1.071 341 L CA 2.759 57.468 54.840 -0.220 0.000 0.746 341 L CB -1.205 40.687 42.059 -0.279 0.000 0.890 341 L HN 0.459 nan 8.230 nan 0.000 0.432 342 T N -3.876 110.602 114.554 -0.126 0.000 2.962 342 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 342 T C 1.647 176.417 174.700 0.118 0.000 1.088 342 T CA 1.494 63.562 62.100 -0.052 0.000 1.127 342 T CB -0.449 68.348 68.868 -0.118 0.000 0.883 342 T HN 0.544 nan 8.240 nan 0.000 0.493 343 E N 0.839 121.070 120.200 0.052 0.000 2.140 343 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 343 E C 2.155 178.814 176.600 0.098 0.000 0.973 343 E CA 1.355 57.791 56.400 0.061 0.000 0.829 343 E CB 0.240 29.996 29.700 0.094 0.000 0.781 343 E HN 0.776 nan 8.360 nan 0.000 0.466 344 T N -3.996 110.669 114.554 0.185 0.000 3.040 344 T HA 0.294 4.644 4.350 -0.000 0.000 0.266 344 T C 1.396 176.392 174.700 0.494 0.000 1.005 344 T CA 0.380 62.667 62.100 0.311 0.000 0.906 344 T CB 1.006 70.004 68.868 0.217 0.000 1.082 344 T HN 0.201 nan 8.240 nan 0.000 0.531 345 G N 0.617 109.647 108.800 0.383 0.000 2.153 345 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 345 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 345 G C -0.255 174.719 174.900 0.124 0.000 0.994 345 G CA 0.286 45.448 45.100 0.104 0.000 0.698 345 G HN 0.752 nan 8.290 nan 0.000 0.521 346 W N -0.743 120.502 121.300 -0.092 0.000 3.118 346 W HA 0.776 5.436 4.660 -0.000 0.000 0.328 346 W C -0.863 175.552 176.519 -0.174 0.000 1.239 346 W CA -1.211 56.058 57.345 -0.126 0.000 1.176 346 W CB 1.224 30.660 29.460 -0.041 0.000 1.433 346 W HN 0.221 nan 8.180 nan 0.000 0.562 347 M N 4.468 123.573 119.600 -0.826 0.000 2.322 347 M HA 0.232 4.712 4.480 -0.000 0.000 0.286 347 M C -1.339 174.231 176.300 -1.216 0.000 1.111 347 M CA -0.817 54.047 55.300 -0.726 0.000 0.941 347 M CB 1.617 33.889 32.600 -0.545 0.000 1.671 347 M HN 0.685 nan 8.290 nan 0.000 0.470 348 H N 3.656 122.207 119.070 -0.864 0.000 3.001 348 H HA 0.016 4.572 4.556 -0.000 0.000 0.334 348 H C 1.024 176.015 175.328 -0.561 0.000 1.034 348 H CA 1.700 57.333 56.048 -0.693 0.000 1.420 348 H CB 0.724 30.326 29.762 -0.268 0.000 1.405 348 H HN 0.792 nan 8.280 nan 0.000 0.593 349 N N 3.334 121.535 118.700 -0.832 0.000 2.061 349 N HA -0.288 4.452 4.740 -0.000 0.000 0.193 349 N C 1.960 177.238 175.510 -0.388 0.000 1.030 349 N CA 1.518 54.228 53.050 -0.566 0.000 0.856 349 N CB -0.005 38.174 38.487 -0.514 0.000 1.023 349 N HN 0.621 nan 8.380 nan 0.000 0.424 350 R N 1.103 121.456 120.500 -0.245 0.000 2.105 350 R HA -0.032 4.308 4.340 -0.000 0.000 0.239 350 R C 2.350 178.547 176.300 -0.171 0.000 1.135 350 R CA 1.665 57.620 56.100 -0.241 0.000 0.967 350 R CB -1.186 28.943 30.300 -0.285 0.000 0.861 350 R HN 0.368 nan 8.270 nan 0.000 0.442 351 C N 0.092 119.313 119.300 -0.132 0.000 2.450 351 C HA 0.103 4.563 4.460 -0.000 0.000 0.279 351 C C 2.452 177.421 174.990 -0.035 0.000 1.335 351 C CA 0.644 59.603 59.018 -0.097 0.000 1.749 351 C CB -0.821 26.837 27.740 -0.137 0.000 1.963 351 C HN 0.515 nan 8.230 nan 0.000 0.501 352 R N 0.420 120.852 120.500 -0.114 0.000 2.096 352 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 352 R C 2.163 178.393 176.300 -0.117 0.000 1.127 352 R CA 1.360 57.453 56.100 -0.012 0.000 0.968 352 R CB -0.328 29.904 30.300 -0.112 0.000 0.861 352 R HN 0.563 nan 8.270 nan 0.000 0.440 353 M N 0.157 119.635 119.600 -0.203 0.000 2.132 353 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 353 M C 2.261 178.696 176.300 0.225 0.000 1.065 353 M CA 1.637 56.841 55.300 -0.160 0.000 1.122 353 M CB -0.233 32.223 32.600 -0.240 0.000 1.365 353 M HN 0.101 nan 8.290 nan 0.000 0.411 354 I N -0.033 120.687 120.570 0.250 0.000 2.142 354 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 354 I C 2.423 178.733 176.117 0.321 0.000 1.078 354 I CA 1.444 62.961 61.300 0.361 0.000 1.343 354 I CB -0.502 37.627 38.000 0.215 0.000 1.046 354 I HN 0.219 nan 8.210 nan 0.000 0.405 355 V N -0.882 119.203 119.914 0.286 0.000 2.515 355 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 355 V C 2.482 178.871 176.094 0.492 0.000 1.058 355 V CA 1.502 64.092 62.300 0.484 0.000 1.064 355 V CB -1.232 30.902 31.823 0.518 0.000 0.675 355 V HN 0.323 nan 8.190 nan 0.000 0.461 356 A N 0.405 123.269 122.820 0.072 0.000 1.872 356 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 356 A C 2.566 180.065 177.584 -0.142 0.000 1.187 356 A CA 2.096 53.878 52.037 -0.426 0.000 0.614 356 A CB -1.013 17.302 19.000 -1.141 0.000 0.826 356 A HN 0.600 nan 8.150 nan 0.000 0.442 357 S N -1.430 114.223 115.700 -0.080 0.000 2.368 357 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 357 S C 1.782 176.354 174.600 -0.045 0.000 1.030 357 S CA 1.652 59.730 58.200 -0.204 0.000 0.999 357 S CB -0.550 62.451 63.200 -0.331 0.000 0.844 357 S HN 0.537 nan 8.310 nan 0.000 0.459 358 F N 1.890 121.840 119.950 0.000 0.000 2.069 358 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 358 F C 1.935 177.700 175.800 -0.059 0.000 1.113 358 F CA 1.767 59.771 58.000 0.007 0.000 1.214 358 F CB -0.712 38.348 39.000 0.100 0.000 0.978 358 F HN 0.312 nan 8.300 nan 0.000 0.474 359 L N -0.093 121.118 121.223 -0.019 0.000 2.042 359 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 359 L C 2.163 178.912 176.870 -0.200 0.000 1.076 359 L CA 2.565 57.197 54.840 -0.346 0.000 0.749 359 L CB -1.217 40.410 42.059 -0.720 0.000 0.893 359 L HN 0.226 nan 8.230 nan 0.000 0.432 360 T N -0.797 113.709 114.554 -0.080 0.000 2.852 360 T HA -0.033 4.317 4.350 -0.000 0.000 0.256 360 T C 1.818 176.543 174.700 0.042 0.000 1.038 360 T CA 0.983 63.114 62.100 0.052 0.000 1.141 360 T CB 0.032 68.937 68.868 0.062 0.000 0.869 360 T HN 0.198 nan 8.240 nan 0.000 0.439 361 K N 1.269 121.500 120.400 -0.281 0.000 2.098 361 K HA 0.117 4.437 4.320 -0.000 0.000 0.203 361 K C 1.758 178.207 176.600 -0.252 0.000 1.051 361 K CA 1.145 57.092 56.287 -0.566 0.000 0.957 361 K CB -0.379 31.755 32.500 -0.609 0.000 0.738 361 K HN 0.308 nan 8.250 nan 0.000 0.447 362 D N 0.821 121.037 120.400 -0.307 0.000 2.144 362 D HA 0.038 4.678 4.640 -0.000 0.000 0.207 362 D C 1.897 178.014 176.300 -0.307 0.000 0.970 362 D CA 0.647 54.423 54.000 -0.373 0.000 0.853 362 D CB 0.091 40.370 40.800 -0.868 0.000 1.007 362 D HN -0.045 nan 8.370 nan 0.000 0.469 363 L N 0.507 121.486 121.223 -0.406 0.000 2.395 363 L HA 0.149 4.489 4.340 -0.000 0.000 0.218 363 L C 0.396 177.282 176.870 0.026 0.000 1.130 363 L CA 0.167 54.898 54.840 -0.183 0.000 0.826 363 L CB -0.228 41.710 42.059 -0.202 0.000 0.941 363 L HN 0.159 nan 8.230 nan 0.000 0.451 364 I N 0.683 121.338 120.570 0.142 0.000 6.521 364 I HA -0.252 3.918 4.170 -0.000 0.000 0.126 364 I C -0.429 175.938 176.117 0.417 0.000 1.822 364 I CA 0.298 61.868 61.300 0.450 0.000 2.063 364 I CB -1.511 36.753 38.000 0.440 0.000 3.493 364 I HN 0.095 nan 8.210 nan 0.000 0.177 365 I N 1.360 122.007 120.570 0.129 0.000 2.392 365 I HA 0.215 4.385 4.170 -0.000 0.000 0.295 365 I C 0.939 176.697 176.117 -0.598 0.000 0.985 365 I CA -0.165 61.062 61.300 -0.122 0.000 1.221 365 I CB 1.203 39.079 38.000 -0.207 0.000 1.366 365 I HN 0.102 nan 8.210 nan 0.000 0.467 366 D N 7.052 126.901 120.400 -0.920 0.000 2.662 366 D HA -0.168 4.472 4.640 -0.000 0.000 0.237 366 D C 1.428 177.018 176.300 -1.185 0.000 1.154 366 D CA 0.083 53.021 54.000 -1.770 0.000 0.861 366 D CB 0.582 40.733 40.800 -1.082 0.000 1.146 366 D HN 0.612 nan 8.370 nan 0.000 0.518 367 W N 4.653 125.292 121.300 -1.101 0.000 2.480 367 W HA -0.132 4.528 4.660 -0.000 0.000 0.257 367 W C 1.212 177.267 176.519 -0.774 0.000 1.235 367 W CA -0.353 56.568 57.345 -0.706 0.000 1.218 367 W CB -0.580 28.724 29.460 -0.260 0.000 1.131 367 W HN 0.384 nan 8.180 nan 0.000 0.606 368 R N 0.551 120.576 120.500 -0.792 0.000 2.152 368 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 368 R C 2.438 178.441 176.300 -0.496 0.000 1.117 368 R CA 1.211 56.951 56.100 -0.599 0.000 0.981 368 R CB -0.204 29.697 30.300 -0.664 0.000 0.870 368 R HN 0.008 nan 8.270 nan 0.000 0.451 369 R N -0.479 119.664 120.500 -0.594 0.000 2.115 369 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 369 R C 2.160 178.258 176.300 -0.337 0.000 1.111 369 R CA 1.432 57.182 56.100 -0.583 0.000 0.976 369 R CB -0.772 28.904 30.300 -1.041 0.000 0.870 369 R HN 0.340 nan 8.270 nan 0.000 0.445 370 G N 0.774 109.200 108.800 -0.624 0.000 2.396 370 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 370 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 370 G C 1.371 175.688 174.900 -0.972 0.000 1.166 370 G CA 0.411 45.027 45.100 -0.806 0.000 0.793 370 G HN 0.407 nan 8.290 nan 0.000 0.533 371 E N 0.153 119.526 120.200 -1.379 0.000 2.085 371 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 371 E C 2.316 178.822 176.600 -0.156 0.000 0.994 371 E CA 1.510 57.397 56.400 -0.855 0.000 0.801 371 E CB -0.201 29.276 29.700 -0.372 0.000 0.743 371 E HN 0.633 nan 8.360 nan 0.000 0.453 372 Q N -0.622 119.118 119.800 -0.100 0.000 2.123 372 Q HA -0.171 4.169 4.340 -0.000 0.000 0.199 372 Q C 2.007 178.143 176.000 0.225 0.000 0.966 372 Q CA 1.279 57.115 55.803 0.055 0.000 0.845 372 Q CB -0.226 28.522 28.738 0.017 0.000 0.907 372 Q HN 0.367 nan 8.270 nan 0.000 0.439 373 F N 0.023 120.125 119.950 0.253 0.000 2.186 373 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 373 F C 1.481 177.624 175.800 0.571 0.000 1.090 373 F CA 0.997 59.281 58.000 0.472 0.000 1.307 373 F CB -0.137 39.261 39.000 0.664 0.000 1.019 373 F HN 0.108 nan 8.300 nan 0.000 0.489 374 F N -0.194 119.944 119.950 0.313 0.000 2.146 374 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 374 F C 2.361 178.197 175.800 0.059 0.000 1.096 374 F CA 1.129 59.266 58.000 0.228 0.000 1.275 374 F CB -0.936 38.316 39.000 0.419 0.000 1.008 374 F HN -0.059 nan 8.300 nan 0.000 0.480 375 M N -0.379 119.364 119.600 0.238 0.000 2.213 375 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 375 M C 1.770 178.048 176.300 -0.036 0.000 1.062 375 M CA 1.427 56.773 55.300 0.077 0.000 1.105 375 M CB -1.292 31.345 32.600 0.062 0.000 1.385 375 M HN 0.272 nan 8.290 nan 0.000 0.417 376 Q N -1.562 118.184 119.800 -0.090 0.000 2.482 376 Q HA -0.071 4.269 4.340 -0.000 0.000 0.209 376 Q C 0.986 176.600 176.000 -0.643 0.000 0.961 376 Q CA 0.620 56.242 55.803 -0.301 0.000 0.945 376 Q CB 0.271 28.833 28.738 -0.294 0.000 1.012 376 Q HN 0.632 nan 8.270 nan 0.000 0.515 377 H N -1.581 117.335 119.070 -0.257 0.000 3.734 377 H HA 0.209 4.765 4.556 -0.000 0.000 0.253 377 H C 0.029 175.197 175.328 -0.267 0.000 1.072 377 H CA -0.123 55.751 56.048 -0.290 0.000 1.147 377 H CB 0.956 30.470 29.762 -0.414 0.000 1.495 377 H HN 0.067 nan 8.280 nan 0.000 0.588 378 L N 1.901 123.043 121.223 -0.135 0.000 2.360 378 L HA 0.023 4.362 4.340 -0.000 0.000 0.276 378 L C 1.728 178.523 176.870 -0.124 0.000 1.121 378 L CA -0.036 54.712 54.840 -0.153 0.000 0.845 378 L CB 1.842 43.803 42.059 -0.162 0.000 1.143 378 L HN -0.013 nan 8.230 nan 0.000 0.452 379 V N 2.499 122.356 119.914 -0.096 0.000 2.913 379 V HA -0.171 3.949 4.120 -0.000 0.000 0.260 379 V C 1.263 177.339 176.094 -0.030 0.000 1.098 379 V CA 2.125 64.385 62.300 -0.067 0.000 1.121 379 V CB -0.338 31.479 31.823 -0.009 0.000 0.714 379 V HN 1.061 nan 8.190 nan 0.000 0.487 380 D N -0.668 119.707 120.400 -0.042 0.000 2.440 380 D HA 0.191 4.831 4.640 -0.000 0.000 0.216 380 D C 1.083 177.318 176.300 -0.109 0.000 1.150 380 D CA 0.259 54.210 54.000 -0.081 0.000 0.832 380 D CB -0.478 40.305 40.800 -0.028 0.000 0.992 380 D HN 0.326 nan 8.370 nan 0.000 0.502 381 G N 0.838 109.587 108.800 -0.085 0.000 2.113 381 G HA2 0.147 4.107 3.960 -0.000 0.000 0.263 381 G HA3 0.147 4.107 3.960 -0.000 0.000 0.263 381 G C -0.653 174.194 174.900 -0.088 0.000 0.954 381 G CA 0.185 45.250 45.100 -0.058 0.000 0.996 381 G HN 0.341 nan 8.290 nan 0.000 0.381 382 D N 1.890 122.251 120.400 -0.065 0.000 2.686 382 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 382 D C 1.138 177.414 176.300 -0.040 0.000 1.260 382 D CA -0.853 53.100 54.000 -0.079 0.000 0.910 382 D CB 1.268 42.006 40.800 -0.103 0.000 1.323 382 D HN 0.102 nan 8.370 nan 0.000 0.561 383 L N 4.779 125.991 121.223 -0.019 0.000 1.978 383 L HA -0.111 4.229 4.340 -0.000 0.000 0.218 383 L C 2.047 178.906 176.870 -0.018 0.000 1.075 383 L CA 2.813 57.657 54.840 0.006 0.000 0.767 383 L CB -0.870 41.205 42.059 0.026 0.000 0.890 383 L HN 0.636 nan 8.230 nan 0.000 0.434 384 A N -0.834 121.973 122.820 -0.021 0.000 1.883 384 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 384 A C 2.408 179.895 177.584 -0.163 0.000 1.186 384 A CA 2.506 54.519 52.037 -0.040 0.000 0.624 384 A CB -1.307 17.703 19.000 0.017 0.000 0.822 384 A HN 0.644 nan 8.150 nan 0.000 0.444 385 A N -0.413 122.303 122.820 -0.174 0.000 1.897 385 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 385 A C 1.979 179.356 177.584 -0.346 0.000 1.181 385 A CA 1.906 53.748 52.037 -0.324 0.000 0.620 385 A CB -0.667 18.200 19.000 -0.223 0.000 0.821 385 A HN 0.606 nan 8.150 nan 0.000 0.443 386 N N 0.529 119.145 118.700 -0.140 0.000 2.106 386 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 386 N C 1.735 177.267 175.510 0.037 0.000 1.029 386 N CA 1.747 54.812 53.050 0.026 0.000 0.848 386 N CB -0.370 38.212 38.487 0.158 0.000 1.007 386 N HN 0.516 nan 8.380 nan 0.000 0.423 387 N N -0.251 118.429 118.700 -0.035 0.000 2.188 387 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 387 N C 1.678 177.028 175.510 -0.267 0.000 1.018 387 N CA 1.319 54.341 53.050 -0.047 0.000 0.858 387 N CB -0.382 38.116 38.487 0.018 0.000 0.989 387 N HN 0.384 nan 8.380 nan 0.000 0.426 388 G N -0.084 108.432 108.800 -0.475 0.000 2.408 388 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 388 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 388 G C 1.525 175.962 174.900 -0.771 0.000 1.150 388 G CA 0.938 45.518 45.100 -0.866 0.000 0.776 388 G HN 0.442 nan 8.290 nan 0.000 0.542 389 G N -0.143 108.237 108.800 -0.699 0.000 2.418 389 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 389 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 389 G C 1.572 176.139 174.900 -0.554 0.000 1.158 389 G CA 0.687 45.404 45.100 -0.638 0.000 0.771 389 G HN 0.498 nan 8.290 nan 0.000 0.545 390 W N 0.563 121.542 121.300 -0.536 0.000 2.453 390 W HA 0.137 4.797 4.660 -0.000 0.000 0.289 390 W C 2.944 178.665 176.519 -1.329 0.000 1.215 390 W CA 0.547 57.394 57.345 -0.831 0.000 1.297 390 W CB 0.083 29.027 29.460 -0.860 0.000 1.113 390 W HN 0.113 nan 8.180 nan 0.000 0.551 391 Q N -0.780 118.447 119.800 -0.956 0.000 2.170 391 Q HA -0.240 4.100 4.340 -0.000 0.000 0.203 391 Q C 1.887 177.580 176.000 -0.512 0.000 0.976 391 Q CA 1.732 57.079 55.803 -0.760 0.000 0.858 391 Q CB -1.046 27.505 28.738 -0.312 0.000 0.907 391 Q HN 0.570 nan 8.270 nan 0.000 0.433 392 W N 2.010 122.985 121.300 -0.541 0.000 2.363 392 W HA -0.207 4.453 4.660 -0.000 0.000 0.296 392 W C 2.251 178.482 176.519 -0.480 0.000 1.212 392 W CA 2.096 59.197 57.345 -0.407 0.000 1.260 392 W CB -0.312 28.930 29.460 -0.364 0.000 1.131 392 W HN 0.136 nan 8.180 nan 0.000 0.530 393 S N 0.159 115.442 115.700 -0.696 0.000 2.584 393 S HA 0.058 4.528 4.470 -0.000 0.000 0.240 393 S C 1.257 175.326 174.600 -0.886 0.000 0.975 393 S CA 0.990 58.593 58.200 -0.996 0.000 0.949 393 S CB -0.429 62.447 63.200 -0.541 0.000 0.761 393 S HN 0.470 nan 8.310 nan 0.000 0.536 394 A N -0.521 121.788 122.820 -0.852 0.000 2.704 394 A HA 0.659 4.979 4.320 -0.000 0.000 0.260 394 A C 0.871 177.836 177.584 -1.031 0.000 1.144 394 A CA 0.241 51.721 52.037 -0.929 0.000 0.985 394 A CB -0.258 18.237 19.000 -0.843 0.000 1.256 394 A HN 0.646 nan 8.150 nan 0.000 0.598 395 S N 0.336 115.613 115.700 -0.704 0.000 3.581 395 S HA -0.196 4.273 4.470 -0.000 0.000 0.354 395 S C 1.158 175.528 174.600 -0.383 0.000 1.059 395 S CA 1.110 59.071 58.200 -0.399 0.000 1.060 395 S CB -1.737 61.337 63.200 -0.211 0.000 0.908 395 S HN 1.556 nan 8.310 nan 0.000 0.475 396 S N -1.122 114.264 115.700 -0.524 0.000 2.575 396 S HA 0.484 4.954 4.470 -0.000 0.000 0.215 396 S C 1.073 175.762 174.600 0.150 0.000 0.966 396 S CA 0.286 58.316 58.200 -0.283 0.000 0.911 396 S CB 0.795 63.902 63.200 -0.155 0.000 0.780 396 S HN 0.834 nan 8.310 nan 0.000 0.514 397 G N 1.355 110.206 108.800 0.084 0.000 3.359 397 G HA2 0.511 4.471 3.960 -0.000 0.000 0.187 397 G HA3 0.511 4.471 3.960 -0.000 0.000 0.187 397 G C -0.254 174.714 174.900 0.113 0.000 1.294 397 G CA -0.696 44.490 45.100 0.142 0.000 0.769 397 G HN 0.188 nan 8.290 nan 0.000 0.733 398 M N 1.022 120.666 119.600 0.073 0.000 2.198 398 M HA 0.219 4.699 4.480 -0.000 0.000 0.315 398 M C 0.230 176.709 176.300 0.300 0.000 1.134 398 M CA 0.090 55.502 55.300 0.188 0.000 1.171 398 M CB 0.301 33.051 32.600 0.250 0.000 1.413 398 M HN 0.647 nan 8.290 nan 0.000 0.467 399 D N 1.720 122.331 120.400 0.351 0.000 2.810 399 D HA -0.113 4.527 4.640 -0.000 0.000 0.224 399 D C -2.149 174.265 176.300 0.190 0.000 1.222 399 D CA 0.130 54.290 54.000 0.267 0.000 0.698 399 D CB -0.417 40.529 40.800 0.244 0.000 0.961 399 D HN 0.273 nan 8.370 nan 0.000 0.403 400 P HA 0.174 nan 4.420 nan 0.000 0.272 400 P C -0.389 176.963 177.300 0.086 0.000 1.223 400 P CA -0.084 63.081 63.100 0.107 0.000 0.784 400 P CB 0.918 32.703 31.700 0.142 0.000 0.923 401 K N 1.697 122.119 120.400 0.037 0.000 2.443 401 K HA 0.535 4.855 4.320 -0.000 0.000 0.251 401 K C -2.493 174.120 176.600 0.022 0.000 0.972 401 K CA -2.201 54.104 56.287 0.031 0.000 0.833 401 K CB 0.217 32.722 32.500 0.008 0.000 1.317 401 K HN 0.260 nan 8.250 nan 0.000 0.441 402 P HA -0.023 nan 4.420 nan 0.000 0.266 402 P C -0.245 177.047 177.300 -0.013 0.000 1.193 402 P CA -0.494 62.631 63.100 0.042 0.000 0.770 402 P CB 0.297 32.024 31.700 0.046 0.000 0.836 403 L N 3.338 124.545 121.223 -0.027 0.000 2.593 403 L HA 0.067 4.407 4.340 -0.000 0.000 0.287 403 L C 0.433 177.238 176.870 -0.109 0.000 1.243 403 L CA 1.199 55.956 54.840 -0.138 0.000 0.890 403 L CB -0.349 41.523 42.059 -0.312 0.000 1.134 403 L HN 0.402 nan 8.230 nan 0.000 0.502 404 R N 4.977 125.376 120.500 -0.167 0.000 2.680 404 R HA 0.627 4.966 4.340 -0.000 0.000 0.269 404 R C -1.872 174.311 176.300 -0.195 0.000 1.026 404 R CA -0.756 55.274 56.100 -0.116 0.000 0.889 404 R CB 1.199 31.457 30.300 -0.069 0.000 1.241 404 R HN 0.726 nan 8.270 nan 0.000 0.463 405 I N 3.770 124.299 120.570 -0.068 0.000 2.478 405 I HA 0.331 4.501 4.170 -0.000 0.000 0.287 405 I C -0.611 175.630 176.117 0.207 0.000 1.042 405 I CA -0.832 60.425 61.300 -0.073 0.000 1.067 405 I CB 1.523 39.468 38.000 -0.092 0.000 1.233 405 I HN 0.401 nan 8.210 nan 0.000 0.431 406 F N 4.337 124.283 119.950 -0.006 0.000 2.506 406 F HA 0.143 4.670 4.527 -0.000 0.000 0.351 406 F C 0.929 176.791 175.800 0.104 0.000 1.136 406 F CA -0.375 57.664 58.000 0.065 0.000 1.298 406 F CB 0.286 39.334 39.000 0.081 0.000 1.145 406 F HN 0.436 nan 8.300 nan 0.000 0.593 407 N N 4.616 123.436 118.700 0.200 0.000 2.558 407 N HA 0.252 4.992 4.740 -0.000 0.000 0.242 407 N C -2.121 173.371 175.510 -0.030 0.000 0.979 407 N CA -2.040 50.987 53.050 -0.039 0.000 0.931 407 N CB 1.669 40.182 38.487 0.044 0.000 1.122 407 N HN 0.066 nan 8.380 nan 0.000 0.508 408 P HA -0.216 nan 4.420 nan 0.000 0.220 408 P C 0.911 178.256 177.300 0.075 0.000 1.155 408 P CA 1.773 64.932 63.100 0.099 0.000 0.880 408 P CB 0.330 32.145 31.700 0.192 0.000 0.790 409 A N -1.038 121.811 122.820 0.048 0.000 1.902 409 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 409 A C 2.327 179.918 177.584 0.010 0.000 1.181 409 A CA 2.263 54.324 52.037 0.040 0.000 0.623 409 A CB -1.432 17.591 19.000 0.038 0.000 0.818 409 A HN 0.173 nan 8.150 nan 0.000 0.443 410 S N -0.220 115.474 115.700 -0.009 0.000 2.355 410 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 410 S C 2.131 176.684 174.600 -0.078 0.000 1.031 410 S CA 1.284 59.459 58.200 -0.043 0.000 0.993 410 S CB -0.324 62.851 63.200 -0.042 0.000 0.859 410 S HN 0.590 nan 8.310 nan 0.000 0.453 411 Q N 1.238 121.006 119.800 -0.053 0.000 2.050 411 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 411 Q C 2.603 178.653 176.000 0.083 0.000 0.980 411 Q CA 1.555 57.369 55.803 0.019 0.000 0.840 411 Q CB -0.783 27.965 28.738 0.017 0.000 0.898 411 Q HN 0.573 nan 8.270 nan 0.000 0.424 412 A N 1.596 124.457 122.820 0.067 0.000 1.883 412 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 412 A C 2.149 179.753 177.584 0.033 0.000 1.186 412 A CA 2.001 54.086 52.037 0.079 0.000 0.624 412 A CB -0.535 18.512 19.000 0.078 0.000 0.822 412 A HN 0.328 nan 8.150 nan 0.000 0.444 413 K N -0.311 120.081 120.400 -0.014 0.000 2.097 413 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 413 K C 2.174 178.707 176.600 -0.112 0.000 1.049 413 K CA 1.762 58.020 56.287 -0.048 0.000 0.933 413 K CB -0.169 32.301 32.500 -0.050 0.000 0.717 413 K HN 0.450 nan 8.250 nan 0.000 0.442 414 K N -0.647 119.619 120.400 -0.223 0.000 2.103 414 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 414 K C 0.979 177.263 176.600 -0.527 0.000 1.052 414 K CA 1.138 57.139 56.287 -0.477 0.000 0.945 414 K CB 0.117 32.127 32.500 -0.817 0.000 0.722 414 K HN 0.103 nan 8.250 nan 0.000 0.443 415 F N -0.523 119.478 119.950 0.086 0.000 2.682 415 F HA 0.200 4.727 4.527 -0.000 0.000 0.308 415 F C 0.084 175.991 175.800 0.178 0.000 1.093 415 F CA -0.350 57.767 58.000 0.195 0.000 1.244 415 F CB 0.768 39.787 39.000 0.033 0.000 1.052 415 F HN -0.053 nan 8.300 nan 0.000 0.573 416 D N -0.474 120.034 120.400 0.180 0.000 3.118 416 D HA 0.352 4.992 4.640 -0.000 0.000 0.352 416 D C 1.415 177.739 176.300 0.041 0.000 1.498 416 D CA 0.314 54.383 54.000 0.115 0.000 0.759 416 D CB 0.121 41.007 40.800 0.143 0.000 1.251 416 D HN 0.017 nan 8.370 nan 0.000 0.504 417 A N -0.445 122.368 122.820 -0.012 0.000 2.009 417 A HA -0.217 4.103 4.320 -0.000 0.000 0.222 417 A C 1.999 179.562 177.584 -0.035 0.000 1.175 417 A CA 2.411 54.422 52.037 -0.042 0.000 0.651 417 A CB -0.678 18.273 19.000 -0.081 0.000 0.815 417 A HN 0.449 nan 8.150 nan 0.000 0.459 418 T N -5.050 109.481 114.554 -0.037 0.000 3.069 418 T HA 0.511 4.861 4.350 -0.000 0.000 0.252 418 T C 0.887 175.578 174.700 -0.015 0.000 1.053 418 T CA 0.961 63.040 62.100 -0.034 0.000 0.964 418 T CB 0.051 68.888 68.868 -0.052 0.000 1.005 418 T HN 1.842 nan 8.240 nan 0.000 0.532 419 A N 0.663 123.492 122.820 0.015 0.000 2.826 419 A HA -0.238 4.082 4.320 -0.000 0.000 0.274 419 A C 1.517 179.123 177.584 0.036 0.000 1.443 419 A CA 1.361 53.420 52.037 0.036 0.000 0.833 419 A CB -2.767 16.234 19.000 0.002 0.000 1.023 419 A HN 0.564 nan 8.150 nan 0.000 0.600 420 T N -1.701 112.881 114.554 0.047 0.000 2.737 420 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 420 T C 1.510 176.257 174.700 0.079 0.000 1.038 420 T CA 1.896 64.016 62.100 0.033 0.000 1.144 420 T CB -0.273 68.612 68.868 0.027 0.000 0.866 420 T HN 0.795 nan 8.240 nan 0.000 0.434 421 Y N 1.552 121.878 120.300 0.043 0.000 2.224 421 Y HA -0.044 4.506 4.550 -0.000 0.000 0.289 421 Y C 1.974 177.971 175.900 0.162 0.000 1.146 421 Y CA 0.893 59.070 58.100 0.129 0.000 1.182 421 Y CB -0.433 38.122 38.460 0.160 0.000 0.983 421 Y HN 0.164 nan 8.280 nan 0.000 0.524 422 I N 0.221 120.903 120.570 0.187 0.000 2.202 422 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 422 I C 2.249 178.333 176.117 -0.055 0.000 1.091 422 I CA 1.644 62.986 61.300 0.071 0.000 1.368 422 I CB -0.405 37.645 38.000 0.083 0.000 1.058 422 I HN 0.148 nan 8.210 nan 0.000 0.410 423 K N 0.324 120.680 120.400 -0.074 0.000 2.148 423 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 423 K C 2.234 178.724 176.600 -0.183 0.000 1.050 423 K CA 0.841 57.056 56.287 -0.119 0.000 0.942 423 K CB -0.163 32.274 32.500 -0.105 0.000 0.724 423 K HN 0.229 nan 8.250 nan 0.000 0.446 424 R N 0.058 120.405 120.500 -0.255 0.000 2.081 424 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 424 R C 1.163 177.049 176.300 -0.690 0.000 1.131 424 R CA 1.669 57.477 56.100 -0.485 0.000 0.960 424 R CB -0.076 29.875 30.300 -0.581 0.000 0.856 424 R HN 0.270 nan 8.270 nan 0.000 0.436 425 W N -0.145 120.989 121.300 -0.276 0.000 3.211 425 W HA 0.271 4.930 4.660 -0.000 0.000 0.292 425 W C 0.010 176.435 176.519 -0.157 0.000 1.268 425 W CA -0.331 56.871 57.345 -0.238 0.000 1.702 425 W CB 0.625 29.870 29.460 -0.359 0.000 1.092 425 W HN -0.062 nan 8.180 nan 0.000 0.643 426 L N 2.600 123.810 121.223 -0.021 0.000 2.637 426 L HA 0.239 4.579 4.340 -0.000 0.000 0.241 426 L C -1.359 175.460 176.870 -0.085 0.000 1.398 426 L CA -1.273 53.541 54.840 -0.044 0.000 0.895 426 L CB 0.902 42.898 42.059 -0.105 0.000 1.183 426 L HN -0.276 nan 8.230 nan 0.000 0.497 427 P HA -0.210 nan 4.420 nan 0.000 0.221 427 P C 0.944 178.228 177.300 -0.027 0.000 1.145 427 P CA 1.209 64.263 63.100 -0.076 0.000 0.795 427 P CB 0.257 31.904 31.700 -0.088 0.000 0.775 428 E N -0.196 119.999 120.200 -0.008 0.000 2.516 428 E HA -0.072 4.278 4.350 -0.000 0.000 0.199 428 E C 0.829 177.493 176.600 0.106 0.000 1.069 428 E CA 0.536 56.959 56.400 0.039 0.000 0.876 428 E CB -0.459 29.271 29.700 0.050 0.000 0.843 428 E HN 0.254 nan 8.360 nan 0.000 0.530 429 L N 0.756 121.981 121.223 0.003 0.000 3.122 429 L HA 0.237 4.577 4.340 -0.000 0.000 0.274 429 L C 1.712 178.488 176.870 -0.156 0.000 1.222 429 L CA -0.111 54.661 54.840 -0.114 0.000 1.028 429 L CB 0.376 42.249 42.059 -0.310 0.000 1.386 429 L HN -0.064 nan 8.230 nan 0.000 0.578 430 R N 0.274 120.768 120.500 -0.010 0.000 2.189 430 R HA -0.124 4.216 4.340 -0.000 0.000 0.223 430 R C 1.911 178.184 176.300 -0.045 0.000 1.092 430 R CA 1.282 57.354 56.100 -0.046 0.000 0.989 430 R CB -0.046 30.238 30.300 -0.027 0.000 0.876 430 R HN 0.621 nan 8.270 nan 0.000 0.457 431 H N -1.469 117.554 119.070 -0.079 0.000 2.502 431 H HA 0.085 4.641 4.556 -0.000 0.000 0.283 431 H C 0.672 175.959 175.328 -0.067 0.000 1.015 431 H CA -0.030 55.975 56.048 -0.071 0.000 1.298 431 H CB -0.739 28.998 29.762 -0.040 0.000 1.411 431 H HN -0.178 nan 8.280 nan 0.000 0.556 432 V N 2.617 122.139 119.914 -0.653 0.000 2.963 432 V HA -0.036 4.084 4.120 -0.000 0.000 0.306 432 V C 0.162 176.153 176.094 -0.172 0.000 1.077 432 V CA -0.111 61.965 62.300 -0.374 0.000 1.124 432 V CB 0.487 32.072 31.823 -0.397 0.000 0.987 432 V HN 0.403 nan 8.190 nan 0.000 0.487 433 H N 4.726 123.716 119.070 -0.134 0.000 2.683 433 H HA 0.191 4.747 4.556 -0.000 0.000 0.339 433 H C -1.617 173.663 175.328 -0.080 0.000 1.081 433 H CA -1.429 54.568 56.048 -0.084 0.000 1.432 433 H CB 0.498 30.227 29.762 -0.056 0.000 1.462 433 H HN 0.382 nan 8.280 nan 0.000 0.557 434 P HA -0.261 nan 4.420 nan 0.000 0.217 434 P C 1.472 178.781 177.300 0.016 0.000 1.151 434 P CA 1.699 64.796 63.100 -0.006 0.000 0.849 434 P CB 0.349 32.039 31.700 -0.016 0.000 0.787 435 K N 0.269 120.696 120.400 0.044 0.000 2.074 435 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 435 K C 1.503 178.111 176.600 0.013 0.000 1.048 435 K CA 2.054 58.356 56.287 0.026 0.000 0.926 435 K CB -1.212 31.304 32.500 0.027 0.000 0.713 435 K HN 0.051 nan 8.250 nan 0.000 0.444 436 D N 0.082 120.492 120.400 0.017 0.000 2.194 436 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 436 D C 1.975 178.267 176.300 -0.014 0.000 0.964 436 D CA 0.939 54.937 54.000 -0.003 0.000 0.846 436 D CB 0.001 40.797 40.800 -0.008 0.000 0.962 436 D HN 0.240 nan 8.370 nan 0.000 0.490 437 L N 0.452 121.660 121.223 -0.024 0.000 2.141 437 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 437 L C 2.442 179.312 176.870 0.001 0.000 1.094 437 L CA 0.592 55.410 54.840 -0.037 0.000 0.763 437 L CB -0.152 41.871 42.059 -0.060 0.000 0.908 437 L HN -0.020 nan 8.230 nan 0.000 0.437 438 I N -0.521 120.055 120.570 0.009 0.000 2.286 438 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 438 I C 2.720 178.852 176.117 0.025 0.000 1.104 438 I CA 1.450 62.765 61.300 0.024 0.000 1.397 438 I CB -0.178 37.831 38.000 0.015 0.000 1.072 438 I HN 0.302 nan 8.210 nan 0.000 0.417 439 S N 0.331 116.039 115.700 0.013 0.000 2.461 439 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 439 S C 1.811 176.409 174.600 -0.003 0.000 1.005 439 S CA 0.691 58.898 58.200 0.012 0.000 0.942 439 S CB 0.067 63.271 63.200 0.007 0.000 0.776 439 S HN 0.609 nan 8.310 nan 0.000 0.514 440 G N 0.863 109.653 108.800 -0.017 0.000 2.159 440 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.256 440 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.256 440 G C -0.285 174.575 174.900 -0.067 0.000 0.977 440 G CA 0.198 45.258 45.100 -0.066 0.000 0.652 440 G HN 0.636 nan 8.290 nan 0.000 0.531 441 E N 0.392 120.574 120.200 -0.029 0.000 2.042 441 E HA 0.535 4.885 4.350 -0.000 0.000 0.260 441 E C 0.111 176.709 176.600 -0.002 0.000 0.975 441 E CA -0.351 56.040 56.400 -0.015 0.000 0.799 441 E CB 0.835 30.531 29.700 -0.007 0.000 1.131 441 E HN 0.470 nan 8.360 nan 0.000 0.423 442 I N 2.339 122.918 120.570 0.016 0.000 2.378 442 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 442 I C 0.719 176.861 176.117 0.041 0.000 0.992 442 I CA -0.973 60.345 61.300 0.029 0.000 1.154 442 I CB 1.715 39.751 38.000 0.060 0.000 1.315 442 I HN 0.333 nan 8.210 nan 0.000 0.448 443 T N 2.951 117.525 114.554 0.033 0.000 2.902 443 T HA 0.109 4.459 4.350 -0.000 0.000 0.301 443 T C -1.822 172.913 174.700 0.059 0.000 1.012 443 T CA -1.161 60.961 62.100 0.038 0.000 1.151 443 T CB 0.757 69.643 68.868 0.030 0.000 0.946 443 T HN 0.351 nan 8.240 nan 0.000 0.542 444 P HA -0.181 nan 4.420 nan 0.000 0.219 444 P C 1.627 178.969 177.300 0.069 0.000 1.158 444 P CA 0.626 63.761 63.100 0.059 0.000 0.895 444 P CB -0.017 31.709 31.700 0.042 0.000 0.792 445 I N -0.226 120.381 120.570 0.062 0.000 2.252 445 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 445 I C 1.735 177.910 176.117 0.097 0.000 1.102 445 I CA 1.855 63.193 61.300 0.063 0.000 1.385 445 I CB -0.779 37.250 38.000 0.048 0.000 1.064 445 I HN 0.030 nan 8.210 nan 0.000 0.414 446 E N 0.197 120.471 120.200 0.124 0.000 2.502 446 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 446 E C 2.003 178.769 176.600 0.278 0.000 1.062 446 E CA -0.030 56.501 56.400 0.219 0.000 0.867 446 E CB 0.153 29.942 29.700 0.150 0.000 0.888 446 E HN 0.342 nan 8.360 nan 0.000 0.510 447 R N -0.283 120.331 120.500 0.190 0.000 2.254 447 R HA 0.048 4.388 4.340 -0.000 0.000 0.193 447 R C 0.486 176.915 176.300 0.215 0.000 0.929 447 R CA 0.184 56.408 56.100 0.205 0.000 1.038 447 R CB 0.251 30.662 30.300 0.185 0.000 1.009 447 R HN -0.050 nan 8.270 nan 0.000 0.512 448 R N -1.926 118.665 120.500 0.152 0.000 3.869 448 R HA -0.234 4.106 4.340 -0.000 0.000 0.424 448 R C 1.237 177.601 176.300 0.106 0.000 0.241 448 R CA 1.865 58.027 56.100 0.103 0.000 1.351 448 R CB -1.857 28.492 30.300 0.082 0.000 0.979 448 R HN 0.390 nan 8.270 nan 0.000 0.572 449 G N -1.219 107.647 108.800 0.110 0.000 2.880 449 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.209 449 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.209 449 G C -0.268 174.710 174.900 0.130 0.000 1.157 449 G CA 0.261 45.419 45.100 0.097 0.000 0.779 449 G HN 0.395 nan 8.290 nan 0.000 0.539 450 Y N 3.683 124.010 120.300 0.045 0.000 2.569 450 Y HA 0.241 4.791 4.550 -0.000 0.000 0.332 450 Y C -1.626 174.298 175.900 0.038 0.000 1.120 450 Y CA -2.936 55.190 58.100 0.042 0.000 1.416 450 Y CB 0.642 39.129 38.460 0.045 0.000 1.210 450 Y HN 0.025 nan 8.280 nan 0.000 0.528 451 P HA 0.103 nan 4.420 nan 0.000 0.270 451 P C -1.013 176.089 177.300 -0.330 0.000 1.223 451 P CA -0.152 62.761 63.100 -0.312 0.000 0.785 451 P CB 0.805 32.346 31.700 -0.266 0.000 0.923 452 A N 3.032 125.773 122.820 -0.131 0.000 2.304 452 A HA 0.505 4.825 4.320 -0.000 0.000 0.271 452 A C -2.164 175.390 177.584 -0.050 0.000 1.091 452 A CA -1.768 50.229 52.037 -0.068 0.000 0.812 452 A CB -1.277 17.716 19.000 -0.011 0.000 1.056 452 A HN 0.393 nan 8.150 nan 0.000 0.489 453 P HA -0.038 nan 4.420 nan 0.000 0.260 453 P C 0.809 178.222 177.300 0.188 0.000 1.172 453 P CA 0.446 63.573 63.100 0.046 0.000 0.760 453 P CB 0.101 31.744 31.700 -0.097 0.000 0.773 454 I N 2.336 123.088 120.570 0.302 0.000 3.001 454 I HA 0.011 4.181 4.170 -0.000 0.000 0.268 454 I C 0.492 176.759 176.117 0.250 0.000 1.267 454 I CA 0.378 61.822 61.300 0.240 0.000 1.472 454 I CB -0.319 37.824 38.000 0.238 0.000 1.089 454 I HN 0.010 nan 8.210 nan 0.000 0.468 455 V N -1.948 118.180 119.914 0.357 0.000 3.147 455 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 455 V C -0.840 175.463 176.094 0.348 0.000 1.209 455 V CA -0.921 61.547 62.300 0.280 0.000 1.023 455 V CB 1.671 33.614 31.823 0.200 0.000 1.059 455 V HN 0.248 nan 8.190 nan 0.000 0.435 456 N N 0.795 119.641 118.700 0.243 0.000 2.500 456 N HA 0.182 4.922 4.740 -0.000 0.000 0.236 456 N C 0.791 176.457 175.510 0.260 0.000 1.022 456 N CA 0.001 53.197 53.050 0.243 0.000 0.935 456 N CB 0.821 39.397 38.487 0.148 0.000 1.147 456 N HN 1.069 nan 8.380 nan 0.000 0.512 457 H N 4.597 123.849 119.070 0.302 0.000 2.292 457 H HA -0.241 4.315 4.556 -0.000 0.000 0.292 457 H C 1.463 176.883 175.328 0.153 0.000 1.100 457 H CA 2.808 59.002 56.048 0.244 0.000 1.238 457 H CB -0.038 29.927 29.762 0.338 0.000 1.355 457 H HN 0.689 nan 8.280 nan 0.000 0.484 458 N N -0.321 118.384 118.700 0.007 0.000 2.061 458 N HA -0.140 4.600 4.740 -0.000 0.000 0.193 458 N C 2.066 177.544 175.510 -0.054 0.000 1.030 458 N CA 1.817 54.827 53.050 -0.066 0.000 0.856 458 N CB -0.345 38.173 38.487 0.051 0.000 1.023 458 N HN 0.470 nan 8.380 nan 0.000 0.424 459 L N -0.245 120.984 121.223 0.011 0.000 2.093 459 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 459 L C 2.392 179.272 176.870 0.017 0.000 1.085 459 L CA 0.725 55.578 54.840 0.023 0.000 0.755 459 L CB -0.322 41.766 42.059 0.048 0.000 0.904 459 L HN 0.174 nan 8.230 nan 0.000 0.435 460 R N -0.035 120.469 120.500 0.008 0.000 2.092 460 R HA -0.173 4.167 4.340 -0.000 0.000 0.231 460 R C 2.055 178.364 176.300 0.016 0.000 1.119 460 R CA 1.131 57.243 56.100 0.020 0.000 0.970 460 R CB -0.667 29.634 30.300 0.002 0.000 0.864 460 R HN 0.484 nan 8.270 nan 0.000 0.440 461 Q N 1.092 120.829 119.800 -0.105 0.000 2.079 461 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 461 Q C 1.636 177.659 176.000 0.038 0.000 0.974 461 Q CA 1.509 57.258 55.803 -0.090 0.000 0.840 461 Q CB 0.157 28.729 28.738 -0.277 0.000 0.898 461 Q HN 0.258 nan 8.270 nan 0.000 0.430 462 K N -0.015 120.397 120.400 0.020 0.000 2.097 462 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 462 K C 2.144 178.788 176.600 0.072 0.000 1.050 462 K CA 1.298 57.613 56.287 0.047 0.000 0.938 462 K CB -0.076 32.440 32.500 0.026 0.000 0.718 462 K HN 0.286 nan 8.250 nan 0.000 0.442 463 Q N 0.340 120.186 119.800 0.078 0.000 2.050 463 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 463 Q C 1.963 178.031 176.000 0.114 0.000 0.980 463 Q CA 1.409 57.256 55.803 0.073 0.000 0.840 463 Q CB -0.110 28.671 28.738 0.072 0.000 0.898 463 Q HN 0.253 nan 8.270 nan 0.000 0.424 464 F N 1.235 121.226 119.950 0.067 0.000 2.102 464 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 464 F C 1.966 177.870 175.800 0.173 0.000 1.105 464 F CA 1.699 59.793 58.000 0.156 0.000 1.239 464 F CB 0.028 39.106 39.000 0.130 0.000 0.991 464 F HN -0.033 nan 8.300 nan 0.000 0.474 465 K N 0.068 120.675 120.400 0.345 0.000 2.057 465 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 465 K C 2.303 178.987 176.600 0.140 0.000 1.049 465 K CA 1.209 57.649 56.287 0.255 0.000 0.931 465 K CB -0.593 32.019 32.500 0.185 0.000 0.714 465 K HN 0.344 nan 8.250 nan 0.000 0.440 466 A N 1.519 124.378 122.820 0.065 0.000 1.908 466 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 466 A C 2.137 179.671 177.584 -0.083 0.000 1.181 466 A CA 1.385 53.419 52.037 -0.006 0.000 0.627 466 A CB -0.693 18.297 19.000 -0.018 0.000 0.818 466 A HN 0.169 nan 8.150 nan 0.000 0.445 467 L N -2.380 118.752 121.223 -0.152 0.000 2.093 467 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 467 L C 2.569 179.240 176.870 -0.331 0.000 1.085 467 L CA 1.562 56.194 54.840 -0.346 0.000 0.755 467 L CB -0.586 41.118 42.059 -0.592 0.000 0.904 467 L HN 0.576 nan 8.230 nan 0.000 0.435 468 Y N 1.318 121.458 120.300 -0.268 0.000 2.133 468 Y HA -0.226 4.324 4.550 -0.000 0.000 0.287 468 Y C 2.568 178.365 175.900 -0.173 0.000 1.134 468 Y CA 1.652 59.644 58.100 -0.180 0.000 1.133 468 Y CB -0.228 38.191 38.460 -0.069 0.000 0.987 468 Y HN 0.196 nan 8.280 nan 0.000 0.502 469 N N 0.259 118.923 118.700 -0.061 0.000 2.166 469 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 469 N C 1.729 177.124 175.510 -0.192 0.000 1.019 469 N CA 1.648 54.623 53.050 -0.124 0.000 0.856 469 N CB -0.372 38.112 38.487 -0.006 0.000 0.993 469 N HN 0.607 nan 8.380 nan 0.000 0.426 470 Q N 0.181 119.866 119.800 -0.192 0.000 2.079 470 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 470 Q C 2.028 177.879 176.000 -0.248 0.000 0.974 470 Q CA 0.790 56.475 55.803 -0.197 0.000 0.840 470 Q CB -0.104 28.518 28.738 -0.192 0.000 0.898 470 Q HN 0.184 nan 8.270 nan 0.000 0.430 471 L N 1.215 122.239 121.223 -0.332 0.000 2.109 471 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 471 L C 2.177 178.831 176.870 -0.360 0.000 1.086 471 L CA 1.727 56.353 54.840 -0.356 0.000 0.760 471 L CB -0.347 41.447 42.059 -0.442 0.000 0.910 471 L HN 0.010 nan 8.230 nan 0.000 0.437 472 K N -0.598 119.531 120.400 -0.451 0.000 2.032 472 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 472 K C 1.947 178.391 176.600 -0.260 0.000 1.048 472 K CA 1.584 57.611 56.287 -0.434 0.000 0.927 472 K CB -0.213 31.974 32.500 -0.522 0.000 0.712 472 K HN 0.457 nan 8.250 nan 0.000 0.441 473 A N 0.780 123.472 122.820 -0.213 0.000 1.897 473 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 473 A C 2.210 179.711 177.584 -0.138 0.000 1.181 473 A CA 1.442 53.391 52.037 -0.148 0.000 0.620 473 A CB -0.628 18.299 19.000 -0.122 0.000 0.821 473 A HN 0.444 nan 8.150 nan 0.000 0.443 474 A N -0.817 121.908 122.820 -0.159 0.000 2.259 474 A HA 0.230 4.550 4.320 -0.000 0.000 0.212 474 A C 0.998 178.503 177.584 -0.133 0.000 1.178 474 A CA 0.622 52.574 52.037 -0.141 0.000 0.734 474 A CB -0.528 18.376 19.000 -0.159 0.000 0.774 474 A HN 0.497 nan 8.150 nan 0.000 0.481 475 I N 0.000 120.484 120.570 -0.143 0.000 2.984 475 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 475 I CA 0.000 61.225 61.300 -0.124 0.000 1.566 475 I CB 0.000 37.911 38.000 -0.148 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494