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 1hqn_1_B DATA FIRST_RESID 15 DATA SEQUENCE LRNQQAXAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSXV TDSPIKYGDV XNVIDAPATI AAGATGELTX DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL XGYEYFTSRT 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.875 176.870 0.008 0.000 1.165 15 L CA 0.000 54.845 54.840 0.008 0.000 0.813 15 L CB 0.000 42.063 42.059 0.007 0.000 0.961 16 R N 0.697 121.201 120.500 0.008 0.000 2.189 16 R HA 0.098 4.438 4.340 0.000 0.000 0.218 16 R C 1.968 178.272 176.300 0.007 0.000 1.074 16 R CA 2.632 58.737 56.100 0.008 0.000 0.991 16 R CB -2.091 28.214 30.300 0.008 0.000 0.883 16 R HN 1.618 nan 8.270 nan 0.000 0.457 17 N N -0.253 118.452 118.700 0.009 0.000 2.171 17 N HA -0.109 4.631 4.740 0.000 0.000 0.184 17 N C 2.402 177.914 175.510 0.004 0.000 1.021 17 N CA 1.807 54.862 53.050 0.008 0.000 0.854 17 N CB -0.760 37.735 38.487 0.012 0.000 0.994 17 N HN 0.738 nan 8.380 nan 0.000 0.426 18 Q N -1.205 118.598 119.800 0.006 0.000 2.291 18 Q HA 0.016 4.356 4.340 0.000 0.000 0.205 18 Q C 2.430 178.431 176.000 0.002 0.000 0.970 18 Q CA 2.143 57.948 55.803 0.004 0.000 0.876 18 Q CB -1.480 27.261 28.738 0.005 0.000 0.935 18 Q HN 1.014 nan 8.270 nan 0.000 0.455 19 Q N -0.218 119.584 119.800 0.003 0.000 2.062 19 Q HA 0.585 4.925 4.340 0.000 0.000 0.196 19 Q C 2.024 178.025 176.000 0.002 0.000 0.967 19 Q CA 1.074 56.879 55.803 0.003 0.000 0.832 19 Q CB -0.812 27.929 28.738 0.004 0.000 0.899 19 Q HN 1.192 nan 8.270 nan 0.000 0.442 23 A N 0.913 123.732 122.820 -0.001 0.000 1.897 23 A HA -0.092 4.228 4.320 0.000 0.000 0.215 23 A C 1.881 179.466 177.584 0.001 0.000 1.181 23 A CA 1.933 53.971 52.037 0.002 0.000 0.620 23 A CB -0.732 18.270 19.000 0.004 0.000 0.821 23 A HN 0.626 nan 8.150 nan 0.000 0.443 24 N N 0.188 118.885 118.700 -0.004 0.000 2.104 24 N HA -0.156 4.584 4.740 0.000 0.000 0.190 24 N C 1.728 177.233 175.510 -0.008 0.000 1.024 24 N CA 1.475 54.520 53.050 -0.008 0.000 0.853 24 N CB -0.223 38.251 38.487 -0.021 0.000 1.008 24 N HN 0.319 nan 8.380 nan 0.000 0.424 25 L N 1.840 123.057 121.223 -0.010 0.000 2.046 25 L HA -0.137 4.203 4.340 0.000 0.000 0.208 25 L C 2.523 179.393 176.870 -0.000 0.000 1.077 25 L CA 1.581 56.416 54.840 -0.008 0.000 0.747 25 L CB -1.376 40.677 42.059 -0.009 0.000 0.896 25 L HN 0.387 nan 8.230 nan 0.000 0.432 26 Q N -0.850 118.951 119.800 0.002 0.000 2.050 26 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 26 Q C 2.137 178.143 176.000 0.010 0.000 0.980 26 Q CA 1.963 57.770 55.803 0.006 0.000 0.840 26 Q CB 0.025 28.766 28.738 0.005 0.000 0.898 26 Q HN 0.545 nan 8.270 nan 0.000 0.424 27 A N 1.215 124.042 122.820 0.012 0.000 1.933 27 A HA -0.223 4.097 4.320 0.000 0.000 0.218 27 A C 2.099 179.698 177.584 0.024 0.000 1.175 27 A CA 1.530 53.580 52.037 0.021 0.000 0.628 27 A CB -0.679 18.335 19.000 0.024 0.000 0.814 27 A HN 0.428 nan 8.150 nan 0.000 0.444 28 R N -0.273 120.237 120.500 0.016 0.000 2.070 28 R HA -0.200 4.140 4.340 0.000 0.000 0.233 28 R C 2.332 178.644 176.300 0.021 0.000 1.137 28 R CA 1.947 58.058 56.100 0.018 0.000 0.945 28 R CB -0.425 29.880 30.300 0.007 0.000 0.845 28 R HN 0.699 nan 8.270 nan 0.000 0.430 29 Q N 0.167 119.976 119.800 0.016 0.000 2.112 29 Q HA -0.192 4.149 4.340 0.000 0.000 0.206 29 Q C 2.255 178.267 176.000 0.019 0.000 0.987 29 Q CA 1.946 57.758 55.803 0.015 0.000 0.858 29 Q CB -0.190 28.554 28.738 0.010 0.000 0.905 29 Q HN 0.475 nan 8.270 nan 0.000 0.420 30 I N -0.073 120.509 120.570 0.021 0.000 2.202 30 I HA -0.227 3.943 4.170 0.000 0.000 0.242 30 I C 2.453 178.590 176.117 0.034 0.000 1.091 30 I CA 0.801 62.114 61.300 0.023 0.000 1.368 30 I CB -0.404 37.609 38.000 0.021 0.000 1.058 30 I HN 0.115 nan 8.210 nan 0.000 0.410 31 V N 1.434 121.375 119.914 0.044 0.000 2.407 31 V HA -0.223 3.897 4.120 0.000 0.000 0.248 31 V C 2.275 178.403 176.094 0.058 0.000 1.055 31 V CA 1.697 64.034 62.300 0.061 0.000 1.049 31 V CB -0.163 31.702 31.823 0.069 0.000 0.662 31 V HN 0.321 nan 8.190 nan 0.000 0.455 32 L N -0.062 121.187 121.223 0.044 0.000 2.056 32 L HA -0.149 4.191 4.340 0.000 0.000 0.207 32 L C 3.124 180.016 176.870 0.037 0.000 1.078 32 L CA 2.117 56.980 54.840 0.038 0.000 0.749 32 L CB -1.075 41.001 42.059 0.027 0.000 0.901 32 L HN 0.534 nan 8.230 nan 0.000 0.433 33 Q N -0.667 119.151 119.800 0.030 0.000 2.123 33 Q HA -0.193 4.147 4.340 0.000 0.000 0.199 33 Q C 2.082 178.099 176.000 0.028 0.000 0.966 33 Q CA 1.213 57.031 55.803 0.024 0.000 0.845 33 Q CB -0.442 28.306 28.738 0.016 0.000 0.907 33 Q HN 0.457 nan 8.270 nan 0.000 0.439 34 Q N 0.460 120.280 119.800 0.033 0.000 2.123 34 Q HA 0.063 4.403 4.340 0.000 0.000 0.196 34 Q C 1.574 177.603 176.000 0.048 0.000 0.958 34 Q CA 1.098 56.919 55.803 0.029 0.000 0.841 34 Q CB -0.130 28.622 28.738 0.024 0.000 0.915 34 Q HN 0.752 nan 8.270 nan 0.000 0.455 35 S N 0.990 116.743 115.700 0.088 0.000 2.624 35 S HA 0.311 4.781 4.470 0.000 0.000 0.263 35 S C -0.236 174.496 174.600 0.219 0.000 1.287 35 S CA -0.752 57.541 58.200 0.155 0.000 0.990 35 S CB 0.443 63.743 63.200 0.167 0.000 0.950 35 S HN 0.246 nan 8.310 nan 0.000 0.561 36 Y N -2.189 118.117 120.300 0.009 0.000 2.376 36 Y HA 0.759 5.309 4.550 0.000 0.000 0.340 36 Y C -3.463 172.402 175.900 -0.058 0.000 0.965 36 Y CA -4.346 53.743 58.100 -0.019 0.000 1.078 36 Y CB -0.241 38.209 38.460 -0.016 0.000 1.193 36 Y HN 0.367 nan 8.280 nan 0.000 0.452 37 P HA 0.208 nan 4.420 nan 0.000 0.265 37 P C -0.929 176.098 177.300 -0.455 0.000 1.193 37 P CA 0.163 63.120 63.100 -0.238 0.000 0.765 37 P CB 0.967 32.585 31.700 -0.136 0.000 0.823 38 V N 5.010 124.577 119.914 -0.579 0.000 2.841 38 V HA 0.515 4.635 4.120 0.000 0.000 0.310 38 V C -0.348 175.428 176.094 -0.530 0.000 1.090 38 V CA -0.595 61.298 62.300 -0.679 0.000 0.930 38 V CB 2.383 33.575 31.823 -1.051 0.000 1.014 38 V HN 0.449 nan 8.190 nan 0.000 0.425 39 I N 4.465 124.877 120.570 -0.264 0.000 2.512 39 I HA 0.647 4.817 4.170 0.000 0.000 0.287 39 I C -0.884 175.283 176.117 0.085 0.000 1.069 39 I CA -0.066 61.203 61.300 -0.051 0.000 1.056 39 I CB 1.651 39.637 38.000 -0.023 0.000 1.229 39 I HN 0.930 nan 8.210 nan 0.000 0.429 40 Q N 5.882 125.828 119.800 0.245 0.000 2.416 40 Q HA 0.384 4.724 4.340 0.000 0.000 0.281 40 Q C -1.471 174.745 176.000 0.360 0.000 1.067 40 Q CA -0.943 55.046 55.803 0.308 0.000 0.809 40 Q CB 1.906 30.784 28.738 0.232 0.000 1.418 40 Q HN 0.681 nan 8.270 nan 0.000 0.411 41 Q N 1.073 121.030 119.800 0.260 0.000 2.337 41 Q HA 0.136 4.476 4.340 0.000 0.000 0.270 41 Q C 0.270 176.277 176.000 0.011 0.000 1.002 41 Q CA 0.387 56.131 55.803 -0.098 0.000 0.888 41 Q CB 1.215 29.824 28.738 -0.214 0.000 1.222 41 Q HN 0.725 nan 8.270 nan 0.000 0.400 42 V N 0.176 120.090 119.914 0.000 0.000 3.455 42 V HA 0.407 4.527 4.120 0.000 0.000 0.250 42 V C 0.088 176.200 176.094 0.030 0.000 1.230 42 V CA 0.808 63.146 62.300 0.063 0.000 1.105 42 V CB 0.422 32.330 31.823 0.140 0.000 0.850 42 V HN 0.868 nan 8.190 nan 0.000 0.461 43 E N -0.708 119.489 120.200 -0.005 0.000 2.401 43 E HA 0.514 4.864 4.350 0.000 0.000 0.283 43 E C -1.628 174.925 176.600 -0.078 0.000 1.053 43 E CA -0.324 56.073 56.400 -0.004 0.000 0.842 43 E CB 2.110 31.862 29.700 0.087 0.000 1.222 43 E HN 0.250 nan 8.360 nan 0.000 0.429 44 T N 2.702 117.145 114.554 -0.186 0.000 2.933 44 T HA 0.491 4.841 4.350 0.000 0.000 0.305 44 T C -1.278 173.137 174.700 -0.476 0.000 1.092 44 T CA -0.673 61.217 62.100 -0.350 0.000 1.008 44 T CB 1.771 70.507 68.868 -0.220 0.000 1.102 44 T HN 0.406 nan 8.240 nan 0.000 0.469 45 Q N 0.761 120.091 119.800 -0.783 0.000 2.426 45 Q HA 0.503 4.843 4.340 0.000 0.000 0.278 45 Q C -1.525 174.218 176.000 -0.428 0.000 1.007 45 Q CA -0.693 54.765 55.803 -0.574 0.000 0.850 45 Q CB 2.696 31.053 28.738 -0.635 0.000 1.427 45 Q HN 0.624 nan 8.270 nan 0.000 0.391 46 T N 2.822 117.266 114.554 -0.183 0.000 2.807 46 T HA 0.775 5.125 4.350 0.000 0.000 0.279 46 T C -1.061 173.652 174.700 0.022 0.000 0.993 46 T CA -0.385 61.623 62.100 -0.154 0.000 0.970 46 T CB 0.363 69.148 68.868 -0.138 0.000 0.950 46 T HN 0.426 nan 8.240 nan 0.000 0.441 47 F N -0.201 119.663 119.950 -0.145 0.000 2.711 47 F HA 0.724 5.251 4.527 0.000 0.000 0.313 47 F C -1.366 174.413 175.800 -0.034 0.000 1.141 47 F CA -1.433 56.544 58.000 -0.038 0.000 0.941 47 F CB 1.090 40.142 39.000 0.087 0.000 1.349 47 F HN 0.295 nan 8.300 nan 0.000 0.464 48 D N 2.695 123.201 120.400 0.176 0.000 2.329 48 D HA 0.358 4.998 4.640 0.000 0.000 0.232 48 D C -1.817 174.635 176.300 0.253 0.000 1.088 48 D CA -2.632 51.421 54.000 0.088 0.000 0.835 48 D CB 1.984 42.846 40.800 0.103 0.000 1.078 48 D HN 0.312 nan 8.370 nan 0.000 0.495 49 P HA -0.109 nan 4.420 nan 0.000 0.226 49 P C 0.908 178.328 177.300 0.201 0.000 1.146 49 P CA 0.503 63.758 63.100 0.258 0.000 0.773 49 P CB 0.270 31.959 31.700 -0.018 0.000 0.772 50 A N 0.144 123.070 122.820 0.177 0.000 1.968 50 A HA -0.134 4.186 4.320 0.000 0.000 0.217 50 A C 2.136 179.788 177.584 0.114 0.000 1.169 50 A CA 1.242 53.366 52.037 0.146 0.000 0.638 50 A CB -0.801 18.280 19.000 0.135 0.000 0.812 50 A HN 0.147 nan 8.150 nan 0.000 0.446 51 N N -0.266 118.508 118.700 0.124 0.000 2.278 51 N HA 0.043 4.783 4.740 0.000 0.000 0.181 51 N C 0.121 175.659 175.510 0.047 0.000 1.023 51 N CA 0.867 53.967 53.050 0.084 0.000 0.862 51 N CB 0.015 38.558 38.487 0.093 0.000 1.003 51 N HN 0.562 nan 8.380 nan 0.000 0.431 52 R N -1.269 119.279 120.500 0.081 0.000 2.643 52 R HA 0.467 4.807 4.340 0.000 0.000 0.269 52 R C -0.088 176.217 176.300 0.009 0.000 1.037 52 R CA -0.535 55.524 56.100 -0.068 0.000 0.894 52 R CB 1.286 31.404 30.300 -0.303 0.000 1.238 52 R HN -0.001 nan 8.270 nan 0.000 0.459 53 S N -1.158 114.508 115.700 -0.058 0.000 2.684 53 S HA 0.210 4.680 4.470 0.000 0.000 0.268 53 S C -0.134 174.579 174.600 0.188 0.000 1.075 53 S CA -0.248 58.048 58.200 0.160 0.000 1.184 53 S CB 0.697 64.012 63.200 0.191 0.000 1.129 53 S HN 0.182 nan 8.310 nan 0.000 0.630 54 V N 3.034 122.863 119.914 -0.141 0.000 2.398 54 V HA 0.657 4.777 4.120 0.000 0.000 0.286 54 V C -1.251 174.605 176.094 -0.397 0.000 1.026 54 V CA -0.447 61.783 62.300 -0.117 0.000 0.868 54 V CB 0.795 32.535 31.823 -0.137 0.000 0.982 54 V HN 0.400 nan 8.190 nan 0.000 0.443 55 F N 1.689 121.579 119.950 -0.100 0.000 2.576 55 F HA 0.537 5.064 4.527 -0.000 0.000 0.313 55 F C -0.188 175.538 175.800 -0.124 0.000 1.078 55 F CA -1.047 56.889 58.000 -0.106 0.000 0.921 55 F CB 1.971 40.920 39.000 -0.084 0.000 1.232 55 F HN 0.425 nan 8.300 nan 0.000 0.459 56 D N 1.616 122.051 120.400 0.058 0.000 2.440 56 D HA 0.502 5.142 4.640 0.000 0.000 0.239 56 D C -1.063 175.245 176.300 0.013 0.000 1.084 56 D CA -0.193 53.799 54.000 -0.013 0.000 0.843 56 D CB 1.762 42.530 40.800 -0.053 0.000 1.097 56 D HN 0.111 nan 8.370 nan 0.000 0.531 57 V N 2.547 122.442 119.914 -0.032 0.000 2.465 57 V HA 0.332 4.452 4.120 0.000 0.000 0.279 57 V C 0.419 176.479 176.094 -0.057 0.000 1.045 57 V CA -0.399 61.888 62.300 -0.021 0.000 0.938 57 V CB 1.592 33.375 31.823 -0.067 0.000 0.986 57 V HN 0.539 nan 8.190 nan 0.000 0.467 58 T N 7.568 122.114 114.554 -0.014 0.000 2.832 58 T HA 0.356 4.706 4.350 0.000 0.000 0.313 58 T C -2.081 172.631 174.700 0.021 0.000 1.035 58 T CA -0.765 61.325 62.100 -0.016 0.000 0.950 58 T CB 0.983 69.846 68.868 -0.010 0.000 0.984 58 T HN 0.580 nan 8.240 nan 0.000 0.486 59 P HA 0.456 nan 4.420 nan 0.000 0.274 59 P C -0.639 176.714 177.300 0.088 0.000 1.246 59 P CA -0.627 62.561 63.100 0.146 0.000 0.795 59 P CB 0.741 32.658 31.700 0.361 0.000 1.006 60 A N 1.526 124.385 122.820 0.065 0.000 2.340 60 A HA 0.222 4.542 4.320 0.000 0.000 0.268 60 A C 0.258 177.808 177.584 -0.056 0.000 1.100 60 A CA -0.620 51.410 52.037 -0.011 0.000 0.803 60 A CB -0.440 18.534 19.000 -0.044 0.000 1.043 60 A HN 0.588 nan 8.150 nan 0.000 0.488 61 N N 1.383 120.043 118.700 -0.066 0.000 2.645 61 N HA 0.333 5.073 4.740 0.000 0.000 0.233 61 N C -0.176 175.248 175.510 -0.144 0.000 1.058 61 N CA -0.214 52.788 53.050 -0.081 0.000 0.942 61 N CB 0.907 39.369 38.487 -0.043 0.000 1.210 61 N HN 0.497 nan 8.380 nan 0.000 0.512 62 V N -0.769 118.978 119.914 -0.277 0.000 2.854 62 V HA 0.656 4.776 4.120 0.000 0.000 0.366 62 V C 0.847 176.789 176.094 -0.254 0.000 1.322 62 V CA -0.363 61.732 62.300 -0.341 0.000 1.243 62 V CB -0.169 31.280 31.823 -0.624 0.000 1.337 62 V HN 0.704 nan 8.190 nan 0.000 0.585 63 G N 0.809 109.533 108.800 -0.127 0.000 2.317 63 G HA2 -0.012 3.948 3.960 0.000 0.000 0.196 63 G HA3 -0.012 3.948 3.960 0.000 0.000 0.196 63 G C -0.790 174.113 174.900 0.006 0.000 1.255 63 G CA -0.443 44.647 45.100 -0.017 0.000 1.243 63 G HN 0.372 nan 8.290 nan 0.000 0.535 64 I N 1.736 122.353 120.570 0.078 0.000 2.312 64 I HA 0.404 4.574 4.170 0.000 0.000 0.291 64 I C 0.313 176.484 176.117 0.089 0.000 1.031 64 I CA -0.656 60.685 61.300 0.067 0.000 1.293 64 I CB 1.330 39.375 38.000 0.075 0.000 1.403 64 I HN 0.282 nan 8.210 nan 0.000 0.484 65 V N 7.727 127.658 119.914 0.028 0.000 2.432 65 V HA 0.164 4.284 4.120 0.000 0.000 0.275 65 V C 0.861 176.913 176.094 -0.070 0.000 1.043 65 V CA -0.330 61.951 62.300 -0.031 0.000 0.925 65 V CB 1.244 33.000 31.823 -0.112 0.000 0.985 65 V HN 0.740 nan 8.190 nan 0.000 0.466 66 K N 2.909 123.275 120.400 -0.056 0.000 2.242 66 K HA 0.468 4.788 4.320 0.000 0.000 0.200 66 K C 0.843 177.392 176.600 -0.085 0.000 1.050 66 K CA 0.761 57.056 56.287 0.013 0.000 0.981 66 K CB 0.522 33.105 32.500 0.138 0.000 0.795 66 K HN 0.919 nan 8.250 nan 0.000 0.477 67 G N -0.241 108.324 108.800 -0.391 0.000 2.320 67 G HA2 0.374 4.334 3.960 0.000 0.000 0.296 67 G HA3 0.374 4.334 3.960 0.000 0.000 0.296 67 G C -1.946 172.184 174.900 -1.284 0.000 1.306 67 G CA -1.029 43.517 45.100 -0.922 0.000 0.836 67 G HN -0.012 nan 8.290 nan 0.000 0.517 68 F N -0.361 118.990 119.950 -0.999 0.000 2.547 68 F HA 0.640 5.167 4.527 -0.000 0.000 0.316 68 F C -0.199 175.448 175.800 -0.255 0.000 1.121 68 F CA -0.806 56.940 58.000 -0.423 0.000 0.911 68 F CB 2.325 41.188 39.000 -0.228 0.000 1.179 68 F HN 0.400 nan 8.300 nan 0.000 0.443 69 L N 4.764 126.251 121.223 0.439 0.000 2.257 69 L HA 0.672 5.012 4.340 0.000 0.000 0.290 69 L C -0.992 176.227 176.870 0.582 0.000 1.044 69 L CA -0.485 54.769 54.840 0.690 0.000 0.810 69 L CB 1.001 43.508 42.059 0.746 0.000 1.193 69 L HN 0.394 nan 8.230 nan 0.000 0.425 70 V N 5.806 126.024 119.914 0.507 0.000 2.328 70 V HA 0.374 4.494 4.120 0.000 0.000 0.278 70 V C 0.135 176.409 176.094 0.299 0.000 1.021 70 V CA -0.789 61.741 62.300 0.383 0.000 0.838 70 V CB 1.089 33.072 31.823 0.266 0.000 0.999 70 V HN 0.714 nan 8.190 nan 0.000 0.447 71 K N 4.331 124.825 120.400 0.157 0.000 2.201 71 K HA 0.677 4.997 4.320 0.000 0.000 0.278 71 K C -1.310 175.265 176.600 -0.041 0.000 1.027 71 K CA -0.349 55.761 56.287 -0.297 0.000 0.909 71 K CB 1.477 33.845 32.500 -0.220 0.000 1.062 71 K HN 0.499 nan 8.250 nan 0.000 0.465 72 V N 3.523 123.387 119.914 -0.083 0.000 2.577 72 V HA 0.354 4.474 4.120 0.000 0.000 0.303 72 V C -0.301 175.805 176.094 0.019 0.000 1.042 72 V CA -0.839 61.522 62.300 0.102 0.000 0.872 72 V CB 1.678 33.687 31.823 0.311 0.000 0.998 72 V HN 1.021 nan 8.190 nan 0.000 0.423 73 T N 1.164 115.724 114.554 0.010 0.000 2.930 73 T HA 0.980 5.330 4.350 0.000 0.000 0.290 73 T C -0.484 174.224 174.700 0.014 0.000 1.052 73 T CA -0.504 61.603 62.100 0.011 0.000 1.017 73 T CB 2.371 71.233 68.868 -0.010 0.000 1.137 73 T HN 1.502 nan 8.240 nan 0.000 0.511 74 A N 0.285 123.145 122.820 0.068 0.000 2.605 74 A HA 0.871 5.191 4.320 0.000 0.000 0.294 74 A C -1.125 176.540 177.584 0.134 0.000 1.062 74 A CA -0.713 51.397 52.037 0.122 0.000 0.682 74 A CB 1.046 20.232 19.000 0.310 0.000 1.278 74 A HN 1.730 nan 8.150 nan 0.000 0.410 75 A N 1.382 124.285 122.820 0.138 0.000 2.319 75 A HA 0.765 5.085 4.320 0.000 0.000 0.310 75 A C -0.838 176.807 177.584 0.102 0.000 1.152 75 A CA -0.263 51.825 52.037 0.086 0.000 0.783 75 A CB 0.323 19.348 19.000 0.040 0.000 1.184 75 A HN 0.768 nan 8.150 nan 0.000 0.474 76 I N 2.024 122.605 120.570 0.017 0.000 2.465 76 I HA 0.387 4.557 4.170 0.000 0.000 0.291 76 I C -0.255 175.768 176.117 -0.157 0.000 1.014 76 I CA -0.274 60.969 61.300 -0.096 0.000 1.093 76 I CB 2.527 40.433 38.000 -0.157 0.000 1.267 76 I HN 0.550 nan 8.210 nan 0.000 0.431 77 T N 4.180 118.627 114.554 -0.178 0.000 2.797 77 T HA 0.243 4.593 4.350 0.000 0.000 0.279 77 T C -0.195 174.348 174.700 -0.261 0.000 0.991 77 T CA -0.578 61.414 62.100 -0.179 0.000 0.979 77 T CB 1.101 69.904 68.868 -0.107 0.000 0.943 77 T HN 0.405 nan 8.240 nan 0.000 0.444 78 N N 2.784 121.341 118.700 -0.238 0.000 2.500 78 N HA 0.149 4.889 4.740 0.000 0.000 0.236 78 N C 0.448 175.878 175.510 -0.134 0.000 1.022 78 N CA -0.444 52.464 53.050 -0.235 0.000 0.935 78 N CB 0.239 38.597 38.487 -0.216 0.000 1.147 78 N HN 0.412 nan 8.380 nan 0.000 0.512 79 N N 1.381 120.007 118.700 -0.122 0.000 2.461 79 N HA -0.090 4.650 4.740 0.000 0.000 0.188 79 N C -0.171 175.305 175.510 -0.058 0.000 1.134 79 N CA 0.090 53.091 53.050 -0.082 0.000 0.878 79 N CB -0.109 38.329 38.487 -0.082 0.000 0.972 79 N HN 0.633 nan 8.380 nan 0.000 0.456 80 H N 0.685 119.688 119.070 -0.112 0.000 2.972 80 H HA 0.125 4.681 4.556 -0.000 0.000 0.343 80 H C 1.291 176.580 175.328 -0.065 0.000 1.054 80 H CA 0.308 56.306 56.048 -0.084 0.000 1.412 80 H CB 0.969 30.679 29.762 -0.086 0.000 1.385 80 H HN 0.111 nan 8.280 nan 0.000 0.600 81 A N 2.915 125.505 122.820 -0.383 0.000 1.972 81 A HA -0.148 4.172 4.320 0.000 0.000 0.219 81 A C 1.972 179.544 177.584 -0.020 0.000 1.169 81 A CA 2.171 54.100 52.037 -0.180 0.000 0.635 81 A CB -0.415 18.452 19.000 -0.223 0.000 0.810 81 A HN 0.874 nan 8.150 nan 0.000 0.446 82 T N -5.122 109.529 114.554 0.161 0.000 3.051 82 T HA 0.185 4.535 4.350 0.000 0.000 0.254 82 T C 0.158 174.957 174.700 0.165 0.000 0.916 82 T CA -0.221 61.976 62.100 0.162 0.000 0.894 82 T CB 0.140 69.077 68.868 0.115 0.000 1.251 82 T HN 0.180 nan 8.240 nan 0.000 0.517 83 E N 1.760 122.108 120.200 0.247 0.000 2.231 83 E HA 0.749 5.099 4.350 0.000 0.000 0.277 83 E C -0.256 176.281 176.600 -0.105 0.000 0.999 83 E CA -0.432 55.913 56.400 -0.092 0.000 0.827 83 E CB 1.880 31.329 29.700 -0.418 0.000 1.101 83 E HN 0.546 nan 8.360 nan 0.000 0.393 84 A N 1.745 124.513 122.820 -0.086 0.000 2.248 84 A HA 0.703 5.023 4.320 0.000 0.000 0.316 84 A C -0.134 177.401 177.584 -0.082 0.000 1.101 84 A CA -0.573 51.418 52.037 -0.076 0.000 0.875 84 A CB 0.805 19.780 19.000 -0.042 0.000 1.207 84 A HN 0.402 nan 8.150 nan 0.000 0.504 85 V N -3.743 116.133 119.914 -0.063 0.000 2.962 85 V HA 0.942 5.062 4.120 0.000 0.000 0.313 85 V C -0.202 175.967 176.094 0.125 0.000 1.099 85 V CA -0.338 61.969 62.300 0.011 0.000 0.971 85 V CB 1.123 32.940 31.823 -0.011 0.000 1.028 85 V HN 1.849 nan 8.190 nan 0.000 0.430 86 A N 2.893 125.844 122.820 0.218 0.000 2.413 86 A HA 0.854 5.174 4.320 0.000 0.000 0.307 86 A C -0.540 177.183 177.584 0.232 0.000 1.087 86 A CA -0.969 51.214 52.037 0.243 0.000 0.750 86 A CB 1.440 20.503 19.000 0.105 0.000 1.296 86 A HN 1.080 nan 8.150 nan 0.000 0.423 87 L N 1.798 123.061 121.223 0.067 0.000 2.514 87 L HA 0.161 4.501 4.340 0.000 0.000 0.280 87 L C 1.503 178.287 176.870 -0.143 0.000 1.223 87 L CA 0.111 54.781 54.840 -0.285 0.000 0.864 87 L CB 0.560 42.471 42.059 -0.246 0.000 1.118 87 L HN 0.998 nan 8.230 nan 0.000 0.494 88 T N -2.076 112.365 114.554 -0.188 0.000 2.770 88 T HA 0.097 4.447 4.350 0.000 0.000 0.281 88 T C 0.749 175.379 174.700 -0.117 0.000 0.981 88 T CA -0.788 61.222 62.100 -0.150 0.000 0.955 88 T CB 0.825 69.575 68.868 -0.196 0.000 1.060 88 T HN 0.506 nan 8.240 nan 0.000 0.531 89 D N -0.161 120.145 120.400 -0.156 0.000 2.144 89 D HA -0.021 4.619 4.640 0.000 0.000 0.199 89 D C 1.578 178.036 176.300 0.264 0.000 0.984 89 D CA 1.106 55.103 54.000 -0.004 0.000 0.834 89 D CB -0.237 40.511 40.800 -0.086 0.000 0.955 89 D HN 0.477 nan 8.370 nan 0.000 0.465 90 F N 0.326 120.218 119.950 -0.096 0.000 2.473 90 F HA 0.227 4.754 4.527 0.000 0.000 0.294 90 F C 2.204 177.965 175.800 -0.065 0.000 1.103 90 F CA 0.420 58.399 58.000 -0.034 0.000 1.442 90 F CB -1.006 37.946 39.000 -0.080 0.000 1.097 90 F HN -0.028 nan 8.300 nan 0.000 0.547 91 G N 2.660 111.495 108.800 0.058 0.000 2.698 91 G HA2 -0.344 3.616 3.960 0.000 0.000 0.337 91 G HA3 -0.344 3.616 3.960 0.000 0.000 0.337 91 G C -1.042 173.837 174.900 -0.034 0.000 1.286 91 G CA 0.626 45.675 45.100 -0.086 0.000 1.000 91 G HN 0.213 nan 8.290 nan 0.000 0.547 92 P HA -0.011 nan 4.420 nan 0.000 0.223 92 P C 1.712 179.016 177.300 0.008 0.000 1.144 92 P CA 2.490 65.593 63.100 0.006 0.000 0.783 92 P CB -0.427 31.265 31.700 -0.014 0.000 0.771 93 A N 0.099 122.888 122.820 -0.052 0.000 2.125 93 A HA -0.126 4.194 4.320 0.000 0.000 0.219 93 A C 1.866 179.583 177.584 0.221 0.000 1.156 93 A CA 1.177 53.181 52.037 -0.055 0.000 0.671 93 A CB -1.024 17.859 19.000 -0.195 0.000 0.794 93 A HN 0.136 nan 8.150 nan 0.000 0.459 94 N N -0.375 118.454 118.700 0.214 0.000 2.276 94 N HA 0.195 4.935 4.740 0.000 0.000 0.212 94 N C 1.033 176.679 175.510 0.227 0.000 1.127 94 N CA 0.075 53.270 53.050 0.243 0.000 0.834 94 N CB 0.103 38.722 38.487 0.220 0.000 1.014 94 N HN 0.474 nan 8.380 nan 0.000 0.491 95 L N -0.346 121.046 121.223 0.282 0.000 2.141 95 L HA 0.005 4.345 4.340 0.000 0.000 0.209 95 L C 0.322 177.355 176.870 0.271 0.000 1.094 95 L CA 0.799 55.831 54.840 0.321 0.000 0.763 95 L CB 0.235 42.508 42.059 0.357 0.000 0.908 95 L HN -0.116 nan 8.230 nan 0.000 0.437 96 V N 0.100 120.095 119.914 0.135 0.000 2.357 96 V HA 0.121 4.241 4.120 0.000 0.000 0.284 96 V C 0.552 176.528 176.094 -0.197 0.000 1.018 96 V CA -0.524 61.615 62.300 -0.269 0.000 0.841 96 V CB 1.608 32.945 31.823 -0.810 0.000 0.991 96 V HN 0.180 nan 8.190 nan 0.000 0.437 97 Q N 3.533 123.238 119.800 -0.157 0.000 2.062 97 Q HA 0.168 4.508 4.340 0.000 0.000 0.196 97 Q C 0.576 176.470 176.000 -0.176 0.000 0.967 97 Q CA 1.156 56.910 55.803 -0.082 0.000 0.832 97 Q CB 0.349 29.076 28.738 -0.019 0.000 0.899 97 Q HN 0.598 nan 8.270 nan 0.000 0.442 98 R N -0.715 119.632 120.500 -0.255 0.000 2.698 98 R HA 0.610 4.950 4.340 0.000 0.000 0.275 98 R C -1.394 174.701 176.300 -0.343 0.000 1.001 98 R CA -0.484 55.456 56.100 -0.267 0.000 0.896 98 R CB 2.510 32.705 30.300 -0.175 0.000 1.218 98 R HN -0.175 nan 8.270 nan 0.000 0.462 99 V N 3.756 123.476 119.914 -0.324 0.000 2.638 99 V HA 0.580 4.700 4.120 0.000 0.000 0.306 99 V C -0.570 175.375 176.094 -0.249 0.000 1.052 99 V CA -0.657 61.445 62.300 -0.330 0.000 0.885 99 V CB 2.082 33.677 31.823 -0.381 0.000 0.999 99 V HN 0.590 nan 8.190 nan 0.000 0.424 100 I N 4.552 124.989 120.570 -0.221 0.000 2.569 100 I HA 0.468 4.638 4.170 0.000 0.000 0.290 100 I C -1.549 174.429 176.117 -0.232 0.000 1.088 100 I CA -0.747 60.418 61.300 -0.224 0.000 1.047 100 I CB 2.315 40.210 38.000 -0.175 0.000 1.237 100 I HN 0.668 nan 8.210 nan 0.000 0.421 101 Y N 6.389 126.437 120.300 -0.420 0.000 2.393 101 Y HA 0.600 5.150 4.550 -0.000 0.000 0.341 101 Y C -1.687 173.912 175.900 -0.501 0.000 0.988 101 Y CA -0.693 57.186 58.100 -0.369 0.000 1.078 101 Y CB 1.390 39.679 38.460 -0.285 0.000 1.203 101 Y HN 0.360 nan 8.280 nan 0.000 0.453 102 Y N 4.397 124.116 120.300 -0.969 0.000 2.361 102 Y HA 0.277 4.827 4.550 0.000 0.000 0.337 102 Y C -0.255 175.078 175.900 -0.946 0.000 0.965 102 Y CA -1.211 56.514 58.100 -0.626 0.000 1.091 102 Y CB 1.178 39.434 38.460 -0.341 0.000 1.182 102 Y HN 0.712 nan 8.280 nan 0.000 0.450 103 D N 2.878 123.101 120.400 -0.294 0.000 2.414 103 D HA 0.194 4.834 4.640 0.000 0.000 0.251 103 D C -2.124 174.156 176.300 -0.033 0.000 1.252 103 D CA -2.110 51.827 54.000 -0.105 0.000 0.999 103 D CB 0.288 41.187 40.800 0.166 0.000 1.093 103 D HN 0.172 nan 8.370 nan 0.000 0.515 104 P HA -0.122 nan 4.420 nan 0.000 0.217 104 P C 0.133 177.440 177.300 0.012 0.000 1.148 104 P CA 1.242 64.346 63.100 0.006 0.000 0.828 104 P CB 0.049 31.761 31.700 0.020 0.000 0.783 105 D N -1.935 118.491 120.400 0.044 0.000 2.324 105 D HA -0.001 4.639 4.640 0.000 0.000 0.235 105 D C 0.507 176.837 176.300 0.050 0.000 1.095 105 D CA 0.244 54.271 54.000 0.045 0.000 0.871 105 D CB -1.147 39.692 40.800 0.065 0.000 0.906 105 D HN 0.043 nan 8.370 nan 0.000 0.522 106 N N 0.775 119.502 118.700 0.046 0.000 2.741 106 N HA -0.253 4.487 4.740 0.000 0.000 0.250 106 N C -0.404 175.218 175.510 0.186 0.000 1.115 106 N CA 0.529 53.616 53.050 0.061 0.000 0.724 106 N CB -0.898 37.571 38.487 -0.031 0.000 1.090 106 N HN 0.196 nan 8.380 nan 0.000 0.558 107 Q N 0.904 120.822 119.800 0.196 0.000 2.243 107 Q HA 0.365 4.705 4.340 0.000 0.000 0.252 107 Q C -0.201 175.950 176.000 0.252 0.000 0.909 107 Q CA -0.441 55.483 55.803 0.201 0.000 0.922 107 Q CB 0.834 29.666 28.738 0.157 0.000 1.215 107 Q HN 0.324 nan 8.270 nan 0.000 0.427 108 R N 3.676 124.258 120.500 0.136 0.000 2.340 108 R HA 0.218 4.558 4.340 0.000 0.000 0.300 108 R C -0.066 176.238 176.300 0.007 0.000 1.069 108 R CA 0.033 56.079 56.100 -0.090 0.000 0.984 108 R CB 0.427 30.626 30.300 -0.169 0.000 1.003 108 R HN 0.879 nan 8.270 nan 0.000 0.459 109 H N 1.029 120.038 119.070 -0.102 0.000 4.843 109 H HA 0.143 4.699 4.556 0.000 0.000 0.127 109 H C 0.040 175.264 175.328 -0.173 0.000 1.386 109 H CA -0.373 55.636 56.048 -0.065 0.000 1.034 109 H CB 0.159 29.953 29.762 0.053 0.000 1.573 109 H HN 0.429 nan 8.280 nan 0.000 0.331 110 T N 1.712 116.241 114.554 -0.042 0.000 2.916 110 T HA 0.032 4.383 4.350 0.000 0.000 0.303 110 T C 0.243 174.842 174.700 -0.169 0.000 1.025 110 T CA 0.491 62.483 62.100 -0.180 0.000 1.142 110 T CB 0.303 69.024 68.868 -0.244 0.000 0.947 110 T HN 0.381 nan 8.240 nan 0.000 0.544 111 E N 2.527 122.634 120.200 -0.154 0.000 2.768 111 E HA 0.315 4.665 4.350 0.000 0.000 0.290 111 E C -1.019 175.515 176.600 -0.111 0.000 1.100 111 E CA -0.326 55.990 56.400 -0.139 0.000 0.768 111 E CB 0.933 30.573 29.700 -0.099 0.000 1.501 111 E HN 0.627 nan 8.360 nan 0.000 0.384 112 T N 0.323 114.780 114.554 -0.162 0.000 2.754 112 T HA 0.434 4.784 4.350 0.000 0.000 0.296 112 T C -0.628 173.906 174.700 -0.277 0.000 1.205 112 T CA -0.207 61.793 62.100 -0.168 0.000 1.009 112 T CB 1.379 70.207 68.868 -0.068 0.000 1.368 112 T HN 0.375 nan 8.240 nan 0.000 0.509 113 S N -0.114 115.340 115.700 -0.410 0.000 2.632 113 S HA 0.486 4.956 4.470 0.000 0.000 0.267 113 S C 1.615 175.902 174.600 -0.521 0.000 1.276 113 S CA 0.022 57.904 58.200 -0.530 0.000 0.998 113 S CB 0.802 63.457 63.200 -0.908 0.000 0.953 113 S HN 1.022 nan 8.310 nan 0.000 0.547 114 G N 0.860 109.424 108.800 -0.395 0.000 2.418 114 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 114 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 114 G C 1.356 176.210 174.900 -0.077 0.000 1.158 114 G CA 0.761 45.692 45.100 -0.282 0.000 0.771 114 G HN 0.951 nan 8.290 nan 0.000 0.545 115 W N 0.306 121.537 121.300 -0.115 0.000 2.363 115 W HA -0.062 4.598 4.660 0.000 0.000 0.296 115 W C 1.829 177.994 176.519 -0.589 0.000 1.212 115 W CA 0.892 57.958 57.345 -0.467 0.000 1.260 115 W CB -1.124 28.001 29.460 -0.558 0.000 1.131 115 W HN 0.427 nan 8.180 nan 0.000 0.530 116 H N 1.274 119.932 119.070 -0.687 0.000 2.326 116 H HA -0.195 4.361 4.556 -0.000 0.000 0.301 116 H C 2.401 177.601 175.328 -0.214 0.000 1.081 116 H CA 1.873 57.671 56.048 -0.417 0.000 1.334 116 H CB -0.136 29.183 29.762 -0.737 0.000 1.385 116 H HN 0.108 nan 8.280 nan 0.000 0.504 117 L N 1.019 121.995 121.223 -0.411 0.000 2.013 117 L HA -0.227 4.113 4.340 0.000 0.000 0.212 117 L C 2.564 179.326 176.870 -0.181 0.000 1.073 117 L CA 2.509 57.139 54.840 -0.350 0.000 0.753 117 L CB -1.198 40.716 42.059 -0.242 0.000 0.890 117 L HN 0.383 nan 8.230 nan 0.000 0.432 118 H N -1.329 117.655 119.070 -0.143 0.000 2.387 118 H HA -0.185 4.371 4.556 0.000 0.000 0.299 118 H C 1.822 177.140 175.328 -0.017 0.000 1.090 118 H CA 2.127 58.103 56.048 -0.120 0.000 1.332 118 H CB -0.314 29.361 29.762 -0.145 0.000 1.386 118 H HN 0.365 nan 8.280 nan 0.000 0.516 119 F N -0.314 119.538 119.950 -0.163 0.000 2.186 119 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 119 F C 2.637 178.380 175.800 -0.095 0.000 1.090 119 F CA 0.852 58.804 58.000 -0.079 0.000 1.307 119 F CB -0.948 38.043 39.000 -0.015 0.000 1.019 119 F HN 0.097 nan 8.300 nan 0.000 0.489 120 V N 0.105 120.020 119.914 0.002 0.000 2.427 120 V HA -0.272 3.848 4.120 0.000 0.000 0.248 120 V C 1.903 177.937 176.094 -0.098 0.000 1.051 120 V CA 1.838 64.114 62.300 -0.040 0.000 1.048 120 V CB -0.869 30.861 31.823 -0.154 0.000 0.666 120 V HN 0.357 nan 8.190 nan 0.000 0.456 121 N N -0.238 118.316 118.700 -0.244 0.000 2.069 121 N HA -0.185 4.555 4.740 0.000 0.000 0.191 121 N C 1.848 177.220 175.510 -0.230 0.000 1.031 121 N CA 1.818 54.601 53.050 -0.444 0.000 0.852 121 N CB -0.244 37.563 38.487 -1.133 0.000 1.018 121 N HN 0.405 nan 8.380 nan 0.000 0.423 122 T N 0.641 115.090 114.554 -0.174 0.000 2.674 122 T HA -0.127 4.223 4.350 0.000 0.000 0.265 122 T C 2.068 176.734 174.700 -0.058 0.000 1.039 122 T CA 1.283 63.351 62.100 -0.053 0.000 1.150 122 T CB -0.382 68.430 68.868 -0.094 0.000 0.864 122 T HN 0.343 nan 8.240 nan 0.000 0.427 123 A N 1.892 124.688 122.820 -0.041 0.000 1.908 123 A HA -0.157 4.163 4.320 0.000 0.000 0.218 123 A C 2.277 179.848 177.584 -0.023 0.000 1.181 123 A CA 1.417 53.390 52.037 -0.107 0.000 0.627 123 A CB -0.333 18.544 19.000 -0.204 0.000 0.818 123 A HN 0.304 nan 8.150 nan 0.000 0.445 124 K N -0.591 119.804 120.400 -0.009 0.000 2.155 124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 124 K C 2.127 178.715 176.600 -0.019 0.000 1.052 124 K CA 1.437 57.714 56.287 -0.018 0.000 0.948 124 K CB -0.264 32.200 32.500 -0.060 0.000 0.728 124 K HN 0.764 nan 8.250 nan 0.000 0.448 125 Q N 0.009 119.814 119.800 0.009 0.000 2.245 125 Q HA -0.071 4.269 4.340 0.000 0.000 0.201 125 Q C 0.575 176.568 176.000 -0.011 0.000 0.955 125 Q CA 1.227 57.044 55.803 0.022 0.000 0.870 125 Q CB 0.242 29.046 28.738 0.110 0.000 0.945 125 Q HN 0.448 nan 8.270 nan 0.000 0.461 126 G N -0.579 108.206 108.800 -0.025 0.000 2.131 126 G HA2 -0.144 3.816 3.960 0.000 0.000 0.223 126 G HA3 -0.144 3.816 3.960 0.000 0.000 0.223 126 G C -0.064 174.797 174.900 -0.064 0.000 0.990 126 G CA 0.182 45.258 45.100 -0.039 0.000 0.671 126 G HN 0.833 nan 8.290 nan 0.000 0.521 127 A N -1.421 121.357 122.820 -0.069 0.000 2.567 127 A HA 0.773 5.093 4.320 0.000 0.000 0.291 127 A C -3.164 174.387 177.584 -0.055 0.000 1.048 127 A CA -0.641 51.346 52.037 -0.083 0.000 0.661 127 A CB 0.526 19.489 19.000 -0.062 0.000 1.288 127 A HN 0.184 nan 8.150 nan 0.000 0.424 128 P HA 0.140 nan 4.420 nan 0.000 0.258 128 P C -0.337 177.033 177.300 0.117 0.000 1.172 128 P CA 0.527 63.642 63.100 0.026 0.000 0.762 128 P CB -0.160 31.555 31.700 0.026 0.000 0.764 129 F N 5.825 125.784 119.950 0.016 0.000 2.580 129 F HA -0.089 4.438 4.527 -0.000 0.000 0.398 129 F C 1.187 177.014 175.800 0.044 0.000 1.023 129 F CA 0.414 58.438 58.000 0.039 0.000 1.188 129 F CB -0.492 38.571 39.000 0.104 0.000 1.005 129 F HN 0.280 nan 8.300 nan 0.000 0.546 130 L N 3.350 124.248 121.223 -0.542 0.000 3.976 130 L HA -0.329 4.011 4.340 0.000 0.000 0.418 130 L C 0.700 177.431 176.870 -0.232 0.000 1.177 130 L CA 0.561 55.090 54.840 -0.519 0.000 0.968 130 L CB -2.395 39.211 42.059 -0.756 0.000 1.933 130 L HN 0.717 nan 8.230 nan 0.000 0.976 131 S N -1.930 113.697 115.700 -0.121 0.000 2.632 131 S HA 0.607 5.077 4.470 0.000 0.000 0.267 131 S C 0.220 174.777 174.600 -0.072 0.000 1.276 131 S CA 0.057 58.221 58.200 -0.060 0.000 0.998 131 S CB 2.475 65.664 63.200 -0.018 0.000 0.953 131 S HN 0.295 nan 8.310 nan 0.000 0.547 135 T N -1.034 113.514 114.554 -0.010 0.000 2.838 135 T HA 0.515 4.865 4.350 0.000 0.000 0.292 135 T C 0.052 174.754 174.700 0.003 0.000 1.113 135 T CA 0.124 62.214 62.100 -0.016 0.000 1.008 135 T CB 2.092 70.935 68.868 -0.042 0.000 1.259 135 T HN 0.790 nan 8.240 nan 0.000 0.520 136 D N -0.042 120.359 120.400 0.002 0.000 2.328 136 D HA 0.083 4.723 4.640 0.000 0.000 0.226 136 D C 0.645 176.961 176.300 0.026 0.000 1.066 136 D CA -0.197 53.810 54.000 0.012 0.000 0.861 136 D CB -0.320 40.484 40.800 0.005 0.000 0.912 136 D HN 0.393 nan 8.370 nan 0.000 0.521 137 S N 1.822 117.547 115.700 0.041 0.000 2.525 137 S HA 0.091 4.561 4.470 0.000 0.000 0.285 137 S C -0.977 173.676 174.600 0.088 0.000 1.283 137 S CA -0.924 57.325 58.200 0.081 0.000 1.072 137 S CB 1.039 64.328 63.200 0.148 0.000 0.867 137 S HN 0.091 nan 8.310 nan 0.000 0.492 138 P HA 0.055 nan 4.420 nan 0.000 0.222 138 P C 0.169 177.488 177.300 0.033 0.000 1.153 138 P CA 0.325 63.449 63.100 0.040 0.000 0.798 138 P CB -0.043 31.673 31.700 0.027 0.000 0.796 139 I N 1.212 121.816 120.570 0.057 0.000 2.648 139 I HA -0.031 4.139 4.170 0.000 0.000 0.284 139 I C 1.357 177.429 176.117 -0.075 0.000 1.153 139 I CA 0.330 61.607 61.300 -0.038 0.000 1.426 139 I CB 0.108 38.073 38.000 -0.060 0.000 1.381 139 I HN -0.251 nan 8.210 nan 0.000 0.571 140 K N 6.515 126.818 120.400 -0.161 0.000 3.000 140 K HA 0.076 4.396 4.320 0.000 0.000 0.265 140 K C -0.725 175.790 176.600 -0.142 0.000 1.260 140 K CA -0.010 56.209 56.287 -0.114 0.000 1.209 140 K CB -0.532 31.917 32.500 -0.086 0.000 1.484 140 K HN 0.363 nan 8.250 nan 0.000 0.283 141 Y N 0.506 120.795 120.300 -0.019 0.000 2.260 141 Y HA 0.336 4.886 4.550 -0.000 0.000 0.339 141 Y C 1.536 177.423 175.900 -0.022 0.000 1.317 141 Y CA 0.653 58.739 58.100 -0.023 0.000 1.514 141 Y CB 0.869 39.313 38.460 -0.026 0.000 1.382 141 Y HN 0.488 nan 8.280 nan 0.000 0.581 142 G N 0.095 108.990 108.800 0.158 0.000 2.302 142 G HA2 -0.084 3.876 3.960 0.000 0.000 0.276 142 G HA3 -0.084 3.876 3.960 0.000 0.000 0.276 142 G C -1.642 173.281 174.900 0.039 0.000 1.316 142 G CA -0.800 44.344 45.100 0.074 0.000 0.988 142 G HN 0.554 nan 8.290 nan 0.000 0.479 143 D N 0.782 121.196 120.400 0.023 0.000 2.498 143 D HA 0.437 5.077 4.640 0.000 0.000 0.229 143 D C 0.931 177.238 176.300 0.012 0.000 1.188 143 D CA 0.098 54.105 54.000 0.013 0.000 1.028 143 D CB 0.104 40.911 40.800 0.013 0.000 1.087 143 D HN 0.406 nan 8.370 nan 0.000 0.510 147 V N 0.233 120.170 119.914 0.039 0.000 2.287 147 V HA -0.008 4.112 4.120 0.000 0.000 0.248 147 V C 1.037 177.242 176.094 0.185 0.000 1.053 147 V CA 1.411 63.754 62.300 0.071 0.000 1.027 147 V CB 0.051 31.801 31.823 -0.121 0.000 0.646 147 V HN 0.394 nan 8.190 nan 0.000 0.447 148 I N 0.448 121.073 120.570 0.091 0.000 2.410 148 I HA 0.478 4.648 4.170 0.000 0.000 0.286 148 I C -1.111 175.040 176.117 0.056 0.000 1.009 148 I CA -0.289 61.067 61.300 0.094 0.000 1.111 148 I CB 1.704 39.737 38.000 0.056 0.000 1.262 148 I HN 0.241 nan 8.210 nan 0.000 0.443 149 D N 5.417 125.853 120.400 0.060 0.000 2.736 149 D HA 0.804 5.444 4.640 0.000 0.000 0.223 149 D C -1.586 174.754 176.300 0.067 0.000 1.231 149 D CA -0.314 53.720 54.000 0.056 0.000 0.818 149 D CB 2.359 43.195 40.800 0.059 0.000 1.587 149 D HN 0.680 nan 8.370 nan 0.000 0.463 150 A N 2.404 125.267 122.820 0.073 0.000 2.547 150 A HA 0.604 4.924 4.320 0.000 0.000 0.298 150 A C -2.821 174.841 177.584 0.130 0.000 1.062 150 A CA -1.146 50.959 52.037 0.113 0.000 0.748 150 A CB 1.369 20.424 19.000 0.092 0.000 1.288 150 A HN 0.436 nan 8.150 nan 0.000 0.396 151 P HA 0.285 nan 4.420 nan 0.000 0.268 151 P C 1.005 178.430 177.300 0.210 0.000 1.204 151 P CA 0.536 63.727 63.100 0.152 0.000 0.768 151 P CB 1.306 33.075 31.700 0.115 0.000 0.842 152 A N 3.830 126.731 122.820 0.135 0.000 1.940 152 A HA -0.058 4.262 4.320 0.000 0.000 0.219 152 A C 1.149 178.850 177.584 0.195 0.000 1.176 152 A CA 1.966 54.079 52.037 0.126 0.000 0.631 152 A CB -0.980 18.065 19.000 0.075 0.000 0.814 152 A HN 0.745 nan 8.150 nan 0.000 0.446 153 T N -3.975 110.682 114.554 0.172 0.000 2.883 153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 153 T C -0.855 173.859 174.700 0.023 0.000 1.158 153 T CA -0.640 61.542 62.100 0.137 0.000 1.007 153 T CB 1.515 70.422 68.868 0.064 0.000 1.186 153 T HN 0.186 nan 8.240 nan 0.000 0.499 154 I N 1.746 122.254 120.570 -0.102 0.000 2.448 154 I HA 0.564 4.734 4.170 0.000 0.000 0.281 154 I C 0.686 176.720 176.117 -0.138 0.000 1.027 154 I CA -1.118 60.067 61.300 -0.193 0.000 1.111 154 I CB 1.392 39.135 38.000 -0.429 0.000 1.236 154 I HN 1.038 nan 8.210 nan 0.000 0.452 155 A N 4.681 127.449 122.820 -0.086 0.000 2.386 155 A HA 0.680 5.000 4.320 0.000 0.000 0.246 155 A C 0.642 178.186 177.584 -0.066 0.000 1.089 155 A CA -0.213 51.788 52.037 -0.060 0.000 0.790 155 A CB 0.383 19.361 19.000 -0.037 0.000 1.042 155 A HN 0.826 nan 8.150 nan 0.000 0.497 156 A N -0.285 122.514 122.820 -0.036 0.000 2.524 156 A HA 0.472 4.792 4.320 0.000 0.000 0.250 156 A C 1.612 179.177 177.584 -0.032 0.000 1.078 156 A CA 0.836 52.864 52.037 -0.014 0.000 0.761 156 A CB -1.060 17.958 19.000 0.029 0.000 1.012 156 A HN 2.736 nan 8.150 nan 0.000 0.500 157 G N 0.976 109.748 108.800 -0.046 0.000 2.225 157 G HA2 0.109 4.069 3.960 0.000 0.000 0.254 157 G HA3 0.109 4.069 3.960 0.000 0.000 0.254 157 G C 0.614 175.480 174.900 -0.057 0.000 0.988 157 G CA 0.583 45.653 45.100 -0.050 0.000 0.625 157 G HN 2.165 nan 8.290 nan 0.000 0.527 158 A N -0.365 122.414 122.820 -0.069 0.000 2.286 158 A HA 0.812 5.132 4.320 0.000 0.000 0.286 158 A C 0.326 177.854 177.584 -0.094 0.000 1.097 158 A CA 0.833 52.828 52.037 -0.071 0.000 0.821 158 A CB 0.916 19.876 19.000 -0.067 0.000 1.076 158 A HN 0.723 nan 8.150 nan 0.000 0.490 159 T N 0.509 115.018 114.554 -0.075 0.000 2.824 159 T HA 0.633 4.983 4.350 0.000 0.000 0.282 159 T C 0.152 174.813 174.700 -0.065 0.000 0.993 159 T CA 0.067 62.120 62.100 -0.078 0.000 0.967 159 T CB 1.632 70.470 68.868 -0.049 0.000 0.960 159 T HN 1.059 nan 8.240 nan 0.000 0.441 160 G N 1.756 110.509 108.800 -0.078 0.000 2.448 160 G HA2 0.669 4.629 3.960 0.000 0.000 0.324 160 G HA3 0.669 4.629 3.960 0.000 0.000 0.324 160 G C -1.186 173.723 174.900 0.015 0.000 1.203 160 G CA -0.569 44.510 45.100 -0.036 0.000 0.954 160 G HN 0.549 nan 8.290 nan 0.000 0.480 161 E N -0.266 119.961 120.200 0.045 0.000 2.195 161 E HA 0.640 4.990 4.350 0.000 0.000 0.271 161 E C -0.254 176.403 176.600 0.094 0.000 0.923 161 E CA -0.438 56.001 56.400 0.064 0.000 0.790 161 E CB 2.161 31.888 29.700 0.044 0.000 1.155 161 E HN 0.424 nan 8.360 nan 0.000 0.402 162 L N 0.564 121.853 121.223 0.110 0.000 2.350 162 L HA 0.759 5.099 4.340 0.000 0.000 0.260 162 L C -0.219 176.704 176.870 0.088 0.000 1.015 162 L CA -0.991 53.919 54.840 0.116 0.000 0.821 162 L CB 2.084 44.241 42.059 0.163 0.000 1.370 162 L HN 0.454 nan 8.230 nan 0.000 0.416 166 Y N 1.589 122.172 120.300 0.471 0.000 2.477 166 Y HA 0.386 4.936 4.550 0.000 0.000 0.347 166 Y C -1.001 175.121 175.900 0.370 0.000 0.981 166 Y CA -1.314 56.969 58.100 0.305 0.000 1.033 166 Y CB 2.275 40.789 38.460 0.091 0.000 1.245 166 Y HN 0.663 nan 8.280 nan 0.000 0.455 167 W N 5.245 126.643 121.300 0.163 0.000 2.361 167 W HA 0.657 5.317 4.660 -0.000 0.000 0.314 167 W C -1.869 174.670 176.519 0.033 0.000 1.041 167 W CA -1.024 56.398 57.345 0.127 0.000 1.241 167 W CB 1.437 30.930 29.460 0.056 0.000 1.279 167 W HN 0.306 nan 8.180 nan 0.000 0.436 168 V N 9.363 128.968 119.914 -0.515 0.000 2.334 168 V HA 0.196 4.316 4.120 0.000 0.000 0.267 168 V C -1.609 173.984 176.094 -0.835 0.000 1.040 168 V CA -1.516 60.491 62.300 -0.487 0.000 0.866 168 V CB 0.923 32.583 31.823 -0.272 0.000 1.019 168 V HN 0.359 nan 8.190 nan 0.000 0.468 169 P HA 0.412 nan 4.420 nan 0.000 0.286 169 P C 0.043 177.230 177.300 -0.188 0.000 1.261 169 P CA -0.366 62.556 63.100 -0.298 0.000 0.821 169 P CB 2.613 34.441 31.700 0.213 0.000 1.013 170 L N 1.320 122.485 121.223 -0.096 0.000 2.590 170 L HA 0.318 4.658 4.340 0.000 0.000 0.181 170 L C 1.414 178.418 176.870 0.225 0.000 1.134 170 L CA 0.137 54.934 54.840 -0.072 0.000 0.850 170 L CB -0.826 41.072 42.059 -0.268 0.000 1.172 170 L HN 0.338 nan 8.230 nan 0.000 0.498 171 A N -0.957 121.969 122.820 0.176 0.000 2.425 171 A HA -0.020 4.300 4.320 0.000 0.000 0.242 171 A C 0.550 178.289 177.584 0.258 0.000 1.077 171 A CA 0.030 52.188 52.037 0.202 0.000 0.781 171 A CB -0.016 19.069 19.000 0.141 0.000 1.020 171 A HN 0.355 nan 8.150 nan 0.000 0.494 172 Y N 1.808 122.086 120.300 -0.036 0.000 2.200 172 Y HA 0.018 4.568 4.550 0.000 0.000 0.290 172 Y C 1.224 177.083 175.900 -0.069 0.000 1.137 172 Y CA 1.666 59.568 58.100 -0.330 0.000 1.163 172 Y CB 0.010 38.326 38.460 -0.240 0.000 0.988 172 Y HN 0.891 nan 8.280 nan 0.000 0.518 173 S N -2.512 113.177 115.700 -0.019 0.000 2.757 173 S HA 0.248 4.718 4.470 0.000 0.000 0.285 173 S C 0.372 174.978 174.600 0.010 0.000 1.196 173 S CA -0.638 57.517 58.200 -0.074 0.000 0.856 173 S CB 1.030 64.164 63.200 -0.110 0.000 1.212 173 S HN 0.074 nan 8.310 nan 0.000 0.516 174 E N 1.082 121.263 120.200 -0.033 0.000 2.204 174 E HA -0.031 4.319 4.350 0.000 0.000 0.194 174 E C 1.799 178.401 176.600 0.003 0.000 0.989 174 E CA 1.956 58.341 56.400 -0.025 0.000 0.824 174 E CB -0.339 29.320 29.700 -0.068 0.000 0.756 174 E HN 0.847 nan 8.360 nan 0.000 0.477 175 T N -2.209 112.354 114.554 0.015 0.000 3.014 175 T HA 0.032 4.382 4.350 0.000 0.000 0.250 175 T C 0.513 175.241 174.700 0.047 0.000 1.060 175 T CA -0.186 61.930 62.100 0.027 0.000 1.040 175 T CB 0.371 69.253 68.868 0.023 0.000 0.971 175 T HN -0.205 nan 8.240 nan 0.000 0.497 176 D N 1.217 121.665 120.400 0.080 0.000 2.461 176 D HA 0.294 4.934 4.640 0.000 0.000 0.240 176 D C 0.628 176.978 176.300 0.082 0.000 1.094 176 D CA -0.736 53.318 54.000 0.090 0.000 0.868 176 D CB 0.729 41.635 40.800 0.178 0.000 1.062 176 D HN 0.225 nan 8.370 nan 0.000 0.530 177 L N 2.488 123.734 121.223 0.039 0.000 2.675 177 L HA 0.078 4.418 4.340 0.000 0.000 0.239 177 L C 0.724 177.599 176.870 0.008 0.000 1.151 177 L CA 0.200 55.063 54.840 0.039 0.000 0.905 177 L CB -0.595 41.483 42.059 0.032 0.000 1.057 177 L HN 0.251 nan 8.230 nan 0.000 0.435 178 T N 0.901 115.424 114.554 -0.051 0.000 2.831 178 T HA 0.252 4.602 4.350 0.000 0.000 0.291 178 T C 1.255 175.927 174.700 -0.047 0.000 0.981 178 T CA 0.984 62.970 62.100 -0.191 0.000 1.174 178 T CB 0.883 69.412 68.868 -0.565 0.000 0.929 178 T HN 0.640 nan 8.240 nan 0.000 0.532 179 G N 2.223 111.027 108.800 0.007 0.000 2.194 179 G HA2 -0.089 3.871 3.960 0.000 0.000 0.236 179 G HA3 -0.089 3.871 3.960 0.000 0.000 0.236 179 G C 0.367 175.369 174.900 0.170 0.000 0.987 179 G CA -0.082 45.124 45.100 0.177 0.000 0.635 179 G HN 1.150 nan 8.290 nan 0.000 0.520 180 A N -0.419 122.460 122.820 0.099 0.000 2.448 180 A HA 0.623 4.943 4.320 0.000 0.000 0.239 180 A C 0.430 178.049 177.584 0.060 0.000 1.080 180 A CA 0.837 52.911 52.037 0.061 0.000 0.779 180 A CB 0.821 19.852 19.000 0.051 0.000 1.026 180 A HN 1.211 nan 8.150 nan 0.000 0.499 181 V N 2.040 121.967 119.914 0.022 0.000 2.448 181 V HA 0.293 4.413 4.120 0.000 0.000 0.295 181 V C -0.491 175.625 176.094 0.037 0.000 1.025 181 V CA -0.492 61.834 62.300 0.043 0.000 0.859 181 V CB 1.454 33.296 31.823 0.033 0.000 0.988 181 V HN 0.765 nan 8.190 nan 0.000 0.431 182 L N 5.472 126.718 121.223 0.039 0.000 2.334 182 L HA 0.624 4.964 4.340 0.000 0.000 0.286 182 L C 0.637 177.511 176.870 0.006 0.000 1.108 182 L CA 0.102 54.949 54.840 0.012 0.000 0.875 182 L CB 0.500 42.560 42.059 0.001 0.000 1.246 182 L HN 0.740 nan 8.230 nan 0.000 0.439 183 A N 4.552 127.369 122.820 -0.005 0.000 2.621 183 A HA 0.373 4.693 4.320 0.000 0.000 0.329 183 A C 0.571 178.129 177.584 -0.044 0.000 1.458 183 A CA -0.282 51.749 52.037 -0.009 0.000 1.052 183 A CB -0.471 18.532 19.000 0.004 0.000 1.142 183 A HN 0.906 nan 8.150 nan 0.000 0.523 184 N N 1.665 120.340 118.700 -0.043 0.000 2.142 184 N HA 0.109 4.849 4.740 0.000 0.000 0.233 184 N C -0.948 174.538 175.510 -0.041 0.000 1.335 184 N CA -0.008 53.007 53.050 -0.058 0.000 0.837 184 N CB 0.806 39.237 38.487 -0.094 0.000 1.238 184 N HN 0.298 nan 8.380 nan 0.000 0.501 185 V N 3.485 123.384 119.914 -0.026 0.000 2.338 185 V HA 0.300 4.420 4.120 0.000 0.000 0.255 185 V C -2.108 173.976 176.094 -0.017 0.000 1.082 185 V CA -1.117 61.172 62.300 -0.018 0.000 0.951 185 V CB 0.284 32.102 31.823 -0.009 0.000 1.102 185 V HN 0.110 nan 8.190 nan 0.000 0.489 186 P HA 0.272 nan 4.420 nan 0.000 0.268 186 P C 0.689 177.980 177.300 -0.014 0.000 1.208 186 P CA 1.146 64.238 63.100 -0.015 0.000 0.777 186 P CB 0.369 32.062 31.700 -0.011 0.000 0.875 187 Q N -0.493 119.297 119.800 -0.015 0.000 2.406 187 Q HA -0.237 4.103 4.340 0.000 0.000 0.236 187 Q C 0.285 176.272 176.000 -0.022 0.000 0.799 187 Q CA 1.939 57.732 55.803 -0.018 0.000 1.286 187 Q CB -2.990 25.739 28.738 -0.015 0.000 1.615 187 Q HN 0.440 nan 8.270 nan 0.000 0.621 188 S N -0.257 115.430 115.700 -0.022 0.000 2.564 188 S HA 0.401 4.871 4.470 0.000 0.000 0.141 188 S C -0.355 174.230 174.600 -0.025 0.000 1.474 188 S CA -0.337 57.847 58.200 -0.026 0.000 1.236 188 S CB 0.840 64.029 63.200 -0.019 0.000 1.481 188 S HN 0.608 nan 8.310 nan 0.000 0.397 189 K N 1.209 121.591 120.400 -0.030 0.000 2.117 189 K HA 0.382 4.702 4.320 0.000 0.000 0.240 189 K C 0.475 177.048 176.600 -0.044 0.000 1.031 189 K CA -0.671 55.601 56.287 -0.025 0.000 0.909 189 K CB 0.573 33.060 32.500 -0.020 0.000 1.097 189 K HN 0.424 nan 8.250 nan 0.000 0.492 190 Q N 0.535 120.316 119.800 -0.032 0.000 2.308 190 Q HA 0.295 4.635 4.340 0.000 0.000 0.207 190 Q C -0.436 175.474 176.000 -0.151 0.000 1.035 190 Q CA -0.359 55.378 55.803 -0.110 0.000 1.008 190 Q CB 0.765 29.515 28.738 0.019 0.000 1.168 190 Q HN 0.318 nan 8.270 nan 0.000 0.565 191 R N 0.476 120.809 120.500 -0.279 0.000 2.522 191 R HA 0.404 4.744 4.340 0.000 0.000 0.283 191 R C -2.142 174.002 176.300 -0.260 0.000 1.074 191 R CA -0.641 55.341 56.100 -0.197 0.000 0.925 191 R CB 0.938 31.169 30.300 -0.116 0.000 1.205 191 R HN 0.519 nan 8.270 nan 0.000 0.436 192 L N 4.395 125.473 121.223 -0.242 0.000 2.301 192 L HA 0.467 4.807 4.340 0.000 0.000 0.278 192 L C -0.874 175.871 176.870 -0.208 0.000 1.022 192 L CA -0.178 54.493 54.840 -0.282 0.000 0.854 192 L CB 1.097 42.848 42.059 -0.514 0.000 1.226 192 L HN 0.571 nan 8.230 nan 0.000 0.429 193 K N 5.437 125.743 120.400 -0.157 0.000 2.227 193 K HA 0.588 4.908 4.320 0.000 0.000 0.280 193 K C -1.483 174.982 176.600 -0.225 0.000 1.041 193 K CA -0.425 55.782 56.287 -0.134 0.000 0.905 193 K CB 0.616 33.084 32.500 -0.052 0.000 1.068 193 K HN 0.691 nan 8.250 nan 0.000 0.470 194 L N 4.483 125.555 121.223 -0.252 0.000 2.349 194 L HA 0.368 4.708 4.340 0.000 0.000 0.278 194 L C -0.628 176.008 176.870 -0.390 0.000 0.996 194 L CA -0.622 53.940 54.840 -0.463 0.000 0.825 194 L CB 1.920 43.562 42.059 -0.695 0.000 1.243 194 L HN 0.623 nan 8.230 nan 0.000 0.412 195 E N 3.694 123.646 120.200 -0.413 0.000 2.092 195 E HA 0.402 4.752 4.350 0.000 0.000 0.271 195 E C -1.078 175.355 176.600 -0.278 0.000 0.919 195 E CA -0.465 55.807 56.400 -0.213 0.000 0.760 195 E CB 1.384 31.003 29.700 -0.136 0.000 1.106 195 E HN 0.252 nan 8.360 nan 0.000 0.408 196 F N 1.269 121.222 119.950 0.004 0.000 2.368 196 F HA 0.413 4.940 4.527 -0.000 0.000 0.315 196 F C 1.097 176.915 175.800 0.031 0.000 1.145 196 F CA -0.768 57.254 58.000 0.037 0.000 1.095 196 F CB 0.603 39.702 39.000 0.165 0.000 1.286 196 F HN 0.385 nan 8.300 nan 0.000 0.530 197 A N 1.436 124.399 122.820 0.238 0.000 2.406 197 A HA 0.468 4.788 4.320 0.000 0.000 0.243 197 A C -0.317 177.311 177.584 0.075 0.000 1.082 197 A CA -0.257 51.874 52.037 0.156 0.000 0.786 197 A CB -0.079 19.058 19.000 0.229 0.000 1.029 197 A HN 0.879 nan 8.150 nan 0.000 0.495 198 N N -0.687 118.110 118.700 0.161 0.000 3.278 198 N HA 0.233 4.973 4.740 0.000 0.000 0.307 198 N C -0.077 175.652 175.510 0.365 0.000 1.551 198 N CA -0.797 52.375 53.050 0.205 0.000 0.794 198 N CB 0.294 38.879 38.487 0.164 0.000 1.770 198 N HN 0.324 nan 8.380 nan 0.000 0.612 199 N N -0.484 118.458 118.700 0.404 0.000 2.520 199 N HA -0.047 4.693 4.740 0.000 0.000 0.185 199 N C 0.150 175.842 175.510 0.304 0.000 1.068 199 N CA 0.715 54.035 53.050 0.450 0.000 0.911 199 N CB -0.456 38.284 38.487 0.423 0.000 0.961 199 N HN 0.562 nan 8.380 nan 0.000 0.446 200 N N -0.485 118.331 118.700 0.194 0.000 2.368 200 N HA -0.062 4.678 4.740 0.000 0.000 0.178 200 N C 1.867 177.432 175.510 0.093 0.000 1.021 200 N CA 1.249 54.385 53.050 0.143 0.000 0.875 200 N CB 0.109 38.666 38.487 0.116 0.000 1.020 200 N HN 0.246 nan 8.380 nan 0.000 0.433 201 T N -1.491 113.103 114.554 0.066 0.000 2.937 201 T HA 0.198 4.548 4.350 0.000 0.000 0.260 201 T C 1.988 176.658 174.700 -0.050 0.000 1.051 201 T CA 0.602 62.724 62.100 0.037 0.000 1.141 201 T CB -0.200 68.708 68.868 0.068 0.000 0.879 201 T HN 0.097 nan 8.240 nan 0.000 0.459 202 A N 0.860 123.552 122.820 -0.212 0.000 2.067 202 A HA 0.328 4.648 4.320 0.000 0.000 0.219 202 A C 0.264 177.432 177.584 -0.693 0.000 1.158 202 A CA 0.320 52.033 52.037 -0.541 0.000 0.661 202 A CB -0.625 17.840 19.000 -0.891 0.000 0.801 202 A HN 0.552 nan 8.150 nan 0.000 0.452 203 F N -0.619 119.392 119.950 0.102 0.000 2.460 203 F HA 0.652 5.179 4.527 0.000 0.000 0.341 203 F C 0.272 176.106 175.800 0.056 0.000 1.130 203 F CA -1.504 56.538 58.000 0.070 0.000 0.962 203 F CB 1.207 40.229 39.000 0.037 0.000 1.171 203 F HN 0.086 nan 8.300 nan 0.000 0.436 204 A N 2.220 125.156 122.820 0.194 0.000 2.292 204 A HA 0.847 5.167 4.320 0.000 0.000 0.319 204 A C 0.056 177.698 177.584 0.095 0.000 1.206 204 A CA -0.473 51.632 52.037 0.112 0.000 0.835 204 A CB 0.425 19.461 19.000 0.060 0.000 1.164 204 A HN 0.929 nan 8.150 nan 0.000 0.505 205 A N 1.956 124.819 122.820 0.072 0.000 2.346 205 A HA 0.518 4.838 4.320 0.000 0.000 0.252 205 A C 0.430 178.030 177.584 0.026 0.000 1.089 205 A CA -0.306 51.756 52.037 0.042 0.000 0.797 205 A CB -0.001 19.021 19.000 0.037 0.000 1.047 205 A HN 1.156 nan 8.150 nan 0.000 0.494 206 V N 1.200 121.118 119.914 0.008 0.000 2.617 206 V HA 0.368 4.488 4.120 0.000 0.000 0.304 206 V C 1.682 177.779 176.094 0.005 0.000 1.040 206 V CA 1.865 64.167 62.300 0.003 0.000 1.149 206 V CB 0.016 31.833 31.823 -0.009 0.000 0.914 206 V HN 1.957 nan 8.190 nan 0.000 0.487 207 G N 3.372 112.175 108.800 0.004 0.000 2.225 207 G HA2 -0.146 3.814 3.960 0.000 0.000 0.254 207 G HA3 -0.146 3.814 3.960 0.000 0.000 0.254 207 G C 0.424 175.326 174.900 0.004 0.000 0.988 207 G CA 0.306 45.406 45.100 0.000 0.000 0.625 207 G HN 1.494 nan 8.290 nan 0.000 0.527 208 A N -0.214 122.615 122.820 0.015 0.000 2.271 208 A HA 0.655 4.975 4.320 0.000 0.000 0.288 208 A C 0.508 178.107 177.584 0.026 0.000 1.094 208 A CA 0.100 52.149 52.037 0.021 0.000 0.828 208 A CB 0.378 19.398 19.000 0.033 0.000 1.091 208 A HN 0.500 nan 8.150 nan 0.000 0.493 209 N N 0.971 119.691 118.700 0.032 0.000 2.452 209 N HA 0.163 4.903 4.740 0.000 0.000 0.266 209 N C -1.743 173.792 175.510 0.042 0.000 1.175 209 N CA -1.416 51.668 53.050 0.058 0.000 0.945 209 N CB 1.055 39.576 38.487 0.058 0.000 1.063 209 N HN 0.347 nan 8.380 nan 0.000 0.472 210 P HA -0.013 nan 4.420 nan 0.000 0.255 210 P C 1.566 178.700 177.300 -0.276 0.000 1.248 210 P CA -0.126 62.911 63.100 -0.105 0.000 0.807 210 P CB 0.505 32.125 31.700 -0.134 0.000 1.150 211 L N 1.578 122.647 121.223 -0.257 0.000 2.030 211 L HA -0.215 4.125 4.340 0.000 0.000 0.222 211 L C 1.720 178.388 176.870 -0.337 0.000 1.082 211 L CA 2.238 56.800 54.840 -0.463 0.000 0.785 211 L CB -1.088 40.937 42.059 -0.056 0.000 0.895 211 L HN -0.072 nan 8.230 nan 0.000 0.439 212 E N -0.837 119.325 120.200 -0.064 0.000 2.481 212 E HA 0.322 4.672 4.350 0.000 0.000 0.198 212 E C 0.491 177.118 176.600 0.046 0.000 1.027 212 E CA 0.197 56.646 56.400 0.081 0.000 0.900 212 E CB 0.217 30.003 29.700 0.143 0.000 0.993 212 E HN 0.611 nan 8.360 nan 0.000 0.482 213 A N 0.376 123.176 122.820 -0.033 0.000 2.257 213 A HA 0.380 4.700 4.320 0.000 0.000 0.289 213 A C 0.755 178.309 177.584 -0.051 0.000 1.095 213 A CA -0.304 51.711 52.037 -0.037 0.000 0.836 213 A CB 0.446 19.432 19.000 -0.023 0.000 1.111 213 A HN 0.150 nan 8.150 nan 0.000 0.497 214 I N -1.694 118.839 120.570 -0.061 0.000 3.039 214 I HA 0.134 4.304 4.170 0.000 0.000 0.270 214 I C -0.429 175.498 176.117 -0.317 0.000 1.150 214 I CA 0.575 61.796 61.300 -0.131 0.000 1.448 214 I CB 0.031 38.007 38.000 -0.039 0.000 1.197 214 I HN 0.575 nan 8.210 nan 0.000 0.450 215 Y N 0.512 120.862 120.300 0.083 0.000 2.499 215 Y HA 0.579 5.129 4.550 0.000 0.000 0.347 215 Y C -0.251 175.718 175.900 0.115 0.000 0.987 215 Y CA -0.784 57.388 58.100 0.121 0.000 1.044 215 Y CB 1.742 40.319 38.460 0.194 0.000 1.245 215 Y HN -0.060 nan 8.280 nan 0.000 0.461 216 Q N 1.303 121.230 119.800 0.213 0.000 2.359 216 Q HA 0.777 5.117 4.340 0.000 0.000 0.274 216 Q C -0.976 175.079 176.000 0.092 0.000 1.074 216 Q CA -0.633 55.244 55.803 0.123 0.000 0.810 216 Q CB 2.696 31.465 28.738 0.052 0.000 1.342 216 Q HN 0.971 nan 8.270 nan 0.000 0.427 217 G N 0.341 109.168 108.800 0.045 0.000 2.336 217 G HA2 0.367 4.327 3.960 0.000 0.000 0.300 217 G HA3 0.367 4.327 3.960 0.000 0.000 0.300 217 G C -0.434 174.430 174.900 -0.059 0.000 1.375 217 G CA -0.152 44.945 45.100 -0.004 0.000 0.885 217 G HN 0.718 nan 8.290 nan 0.000 0.599 218 A N -0.858 121.899 122.820 -0.106 0.000 2.216 218 A HA 0.399 4.719 4.320 0.000 0.000 0.214 218 A C 2.103 179.460 177.584 -0.379 0.000 1.160 218 A CA 2.450 54.379 52.037 -0.180 0.000 0.725 218 A CB -0.328 18.576 19.000 -0.161 0.000 0.784 218 A HN 1.950 nan 8.150 nan 0.000 0.472 219 G N -1.798 106.792 108.800 -0.351 0.000 3.126 219 G HA2 0.339 4.299 3.960 0.000 0.000 0.224 219 G HA3 0.339 4.299 3.960 0.000 0.000 0.224 219 G C 1.306 176.081 174.900 -0.208 0.000 1.142 219 G CA 0.826 45.647 45.100 -0.464 0.000 0.759 219 G HN 0.564 nan 8.290 nan 0.000 0.550 220 A N 1.493 124.234 122.820 -0.130 0.000 1.927 220 A HA 0.063 4.383 4.320 0.000 0.000 0.220 220 A C 2.738 180.295 177.584 -0.045 0.000 1.185 220 A CA 2.349 54.353 52.037 -0.054 0.000 0.639 220 A CB -0.694 18.344 19.000 0.063 0.000 0.820 220 A HN 0.824 nan 8.150 nan 0.000 0.451 221 A N -0.792 122.029 122.820 0.002 0.000 2.024 221 A HA -0.133 4.187 4.320 0.000 0.000 0.220 221 A C 1.374 178.967 177.584 0.015 0.000 1.164 221 A CA 1.877 53.939 52.037 0.042 0.000 0.643 221 A CB -0.369 18.672 19.000 0.068 0.000 0.806 221 A HN 0.444 nan 8.150 nan 0.000 0.451 222 D N -1.504 118.895 120.400 -0.002 0.000 2.363 222 D HA 0.189 4.829 4.640 0.000 0.000 0.214 222 D C -0.194 175.993 176.300 -0.189 0.000 1.093 222 D CA -0.131 53.844 54.000 -0.042 0.000 0.837 222 D CB -0.170 40.648 40.800 0.031 0.000 0.948 222 D HN 0.306 nan 8.370 nan 0.000 0.507 223 C N 1.770 120.831 119.300 -0.398 0.000 2.539 223 C HA 0.573 5.033 4.460 0.000 0.000 0.392 223 C C 0.561 175.090 174.990 -0.768 0.000 1.269 223 C CA -0.521 58.017 59.018 -0.801 0.000 2.250 223 C CB 0.018 26.841 27.740 -1.528 0.000 2.584 223 C HN 0.386 nan 8.230 nan 0.000 0.589 224 E N 0.977 120.852 120.200 -0.542 0.000 2.390 224 E HA 0.495 4.845 4.350 0.000 0.000 0.280 224 E C -1.682 174.931 176.600 0.022 0.000 0.992 224 E CA -0.694 55.664 56.400 -0.069 0.000 0.790 224 E CB 0.577 30.290 29.700 0.022 0.000 1.248 224 E HN 0.368 nan 8.360 nan 0.000 0.447 225 F N 1.704 121.796 119.950 0.237 0.000 2.443 225 F HA 0.182 4.709 4.527 0.000 0.000 0.353 225 F C 1.654 177.484 175.800 0.051 0.000 1.101 225 F CA -0.113 57.977 58.000 0.151 0.000 1.226 225 F CB 1.095 40.167 39.000 0.120 0.000 1.140 225 F HN 0.542 nan 8.300 nan 0.000 0.557 226 E N 1.582 121.902 120.200 0.199 0.000 2.190 226 E HA -0.005 4.345 4.350 0.000 0.000 0.191 226 E C -0.092 176.544 176.600 0.060 0.000 0.978 226 E CA 0.708 57.163 56.400 0.092 0.000 0.839 226 E CB 0.153 29.879 29.700 0.043 0.000 0.787 226 E HN 0.832 nan 8.360 nan 0.000 0.473 227 E N -0.881 119.350 120.200 0.052 0.000 2.398 227 E HA 0.448 4.798 4.350 0.000 0.000 0.280 227 E C -1.136 175.321 176.600 -0.239 0.000 1.122 227 E CA -0.470 55.852 56.400 -0.130 0.000 0.873 227 E CB 0.634 30.255 29.700 -0.130 0.000 1.294 227 E HN -0.132 nan 8.360 nan 0.000 0.435 228 I N 0.943 121.121 120.570 -0.653 0.000 2.647 228 I HA 0.555 4.725 4.170 0.000 0.000 0.295 228 I C -0.870 174.758 176.117 -0.816 0.000 1.078 228 I CA -0.860 59.984 61.300 -0.760 0.000 1.048 228 I CB 2.321 39.613 38.000 -1.181 0.000 1.239 228 I HN 0.539 nan 8.210 nan 0.000 0.421 229 S N 3.554 119.000 115.700 -0.424 0.000 2.570 229 S HA 0.757 5.227 4.470 0.000 0.000 0.286 229 S C -1.535 172.994 174.600 -0.118 0.000 1.099 229 S CA -0.572 57.447 58.200 -0.301 0.000 0.913 229 S CB 2.115 65.191 63.200 -0.206 0.000 1.085 229 S HN 0.524 nan 8.310 nan 0.000 0.480 230 Y N -1.278 118.936 120.300 -0.144 0.000 2.562 230 Y HA 0.843 5.393 4.550 -0.000 0.000 0.345 230 Y C -1.033 174.835 175.900 -0.054 0.000 1.045 230 Y CA -0.866 57.204 58.100 -0.050 0.000 1.028 230 Y CB 1.105 39.595 38.460 0.049 0.000 1.297 230 Y HN 0.431 nan 8.280 nan 0.000 0.463 231 T N 2.779 117.453 114.554 0.200 0.000 3.011 231 T HA 0.503 4.853 4.350 0.000 0.000 0.303 231 T C -1.476 173.296 174.700 0.121 0.000 0.997 231 T CA -0.649 61.475 62.100 0.039 0.000 1.007 231 T CB 1.404 70.228 68.868 -0.073 0.000 1.017 231 T HN 0.630 nan 8.240 nan 0.000 0.443 232 V N 4.166 124.136 119.914 0.093 0.000 2.394 232 V HA 0.460 4.580 4.120 0.000 0.000 0.282 232 V C -1.077 175.036 176.094 0.032 0.000 1.031 232 V CA -0.717 61.672 62.300 0.147 0.000 0.881 232 V CB 0.654 32.578 31.823 0.169 0.000 0.982 232 V HN 0.798 nan 8.190 nan 0.000 0.451 233 Y N 3.053 123.532 120.300 0.300 0.000 2.335 233 Y HA 0.471 5.021 4.550 -0.000 0.000 0.338 233 Y C 0.326 176.395 175.900 0.281 0.000 0.977 233 Y CA -0.345 57.917 58.100 0.270 0.000 1.114 233 Y CB 1.631 40.245 38.460 0.258 0.000 1.182 233 Y HN 0.568 nan 8.280 nan 0.000 0.463 234 Q N 2.202 122.224 119.800 0.369 0.000 2.278 234 Q HA 0.431 4.771 4.340 0.000 0.000 0.257 234 Q C -0.763 175.342 176.000 0.175 0.000 0.928 234 Q CA -0.508 55.392 55.803 0.162 0.000 0.932 234 Q CB 1.174 30.034 28.738 0.202 0.000 1.221 234 Q HN 0.658 nan 8.270 nan 0.000 0.434 235 S N 4.335 120.051 115.700 0.026 0.000 2.437 235 S HA 0.629 5.099 4.470 0.000 0.000 0.305 235 S C -1.369 173.281 174.600 0.082 0.000 1.109 235 S CA -0.393 57.861 58.200 0.090 0.000 1.099 235 S CB 0.282 63.659 63.200 0.294 0.000 1.004 235 S HN 0.566 nan 8.310 nan 0.000 0.475 236 Y N 2.046 122.316 120.300 -0.050 0.000 2.689 236 Y HA 0.710 5.260 4.550 0.000 0.000 0.333 236 Y C -1.852 174.028 175.900 -0.033 0.000 1.190 236 Y CA -1.574 56.495 58.100 -0.051 0.000 1.063 236 Y CB 0.819 39.244 38.460 -0.057 0.000 1.294 236 Y HN 0.426 nan 8.280 nan 0.000 0.466 237 L N 2.455 123.775 121.223 0.162 0.000 2.287 237 L HA 0.459 4.799 4.340 0.000 0.000 0.287 237 L C -0.955 176.070 176.870 0.259 0.000 1.022 237 L CA -0.497 54.403 54.840 0.099 0.000 0.814 237 L CB 1.355 43.480 42.059 0.109 0.000 1.217 237 L HN 0.663 nan 8.230 nan 0.000 0.420 238 D N 1.774 122.319 120.400 0.241 0.000 2.326 238 D HA 0.266 4.906 4.640 0.000 0.000 0.248 238 D C -0.497 176.074 176.300 0.453 0.000 1.001 238 D CA -0.032 54.222 54.000 0.424 0.000 0.961 238 D CB 1.281 42.376 40.800 0.492 0.000 1.183 238 D HN 0.425 nan 8.370 nan 0.000 0.502 239 Q N 0.255 120.257 119.800 0.337 0.000 2.457 239 Q HA -0.175 4.165 4.340 0.000 0.000 0.333 239 Q C -0.564 175.547 176.000 0.185 0.000 1.448 239 Q CA 0.114 56.032 55.803 0.192 0.000 0.891 239 Q CB -1.256 27.483 28.738 0.001 0.000 1.142 239 Q HN 0.424 nan 8.270 nan 0.000 0.375 240 L N 2.005 123.380 121.223 0.254 0.000 2.456 240 L HA 0.243 4.583 4.340 0.000 0.000 0.272 240 L C -1.238 175.759 176.870 0.212 0.000 1.189 240 L CA -1.510 53.490 54.840 0.267 0.000 0.846 240 L CB -0.247 42.023 42.059 0.351 0.000 1.111 240 L HN 0.117 nan 8.230 nan 0.000 0.475 241 P HA 0.095 nan 4.420 nan 0.000 0.276 241 P C -0.802 176.463 177.300 -0.058 0.000 1.235 241 P CA -0.157 62.955 63.100 0.020 0.000 0.772 241 P CB 1.254 32.971 31.700 0.029 0.000 0.871 242 V N 4.069 123.860 119.914 -0.206 0.000 2.370 242 V HA 0.505 4.625 4.120 0.000 0.000 0.283 242 V C 1.147 177.145 176.094 -0.160 0.000 1.023 242 V CA -0.120 61.982 62.300 -0.330 0.000 0.857 242 V CB 1.230 32.719 31.823 -0.556 0.000 0.985 242 V HN 0.796 nan 8.190 nan 0.000 0.443 243 G N 2.728 111.469 108.800 -0.099 0.000 2.531 243 G HA2 0.482 4.442 3.960 0.000 0.000 0.281 243 G HA3 0.482 4.442 3.960 0.000 0.000 0.281 243 G C 0.833 175.703 174.900 -0.051 0.000 1.382 243 G CA 0.400 45.467 45.100 -0.055 0.000 1.045 243 G HN 0.769 nan 8.290 nan 0.000 0.533 244 Q N -2.394 117.388 119.800 -0.030 0.000 2.561 244 Q HA 0.200 4.540 4.340 0.000 0.000 0.217 244 Q C 1.205 177.196 176.000 -0.016 0.000 0.980 244 Q CA 1.739 57.528 55.803 -0.023 0.000 0.927 244 Q CB -1.200 27.530 28.738 -0.014 0.000 0.980 244 Q HN 1.466 nan 8.270 nan 0.000 0.525 245 N N -1.245 117.448 118.700 -0.012 0.000 2.673 245 N HA 0.558 5.298 4.740 0.000 0.000 0.265 245 N C 0.653 176.172 175.510 0.015 0.000 1.709 245 N CA 0.548 53.600 53.050 0.003 0.000 0.792 245 N CB -0.005 38.488 38.487 0.011 0.000 1.286 245 N HN 1.412 nan 8.380 nan 0.000 0.506 246 G N 0.085 108.883 108.800 -0.004 0.000 2.796 246 G HA2 -0.147 3.813 3.960 0.000 0.000 0.226 246 G HA3 -0.147 3.813 3.960 0.000 0.000 0.226 246 G C -0.379 174.524 174.900 0.005 0.000 1.381 246 G CA -0.523 44.591 45.100 0.023 0.000 0.867 246 G HN 0.949 nan 8.290 nan 0.000 0.552 247 Y N -0.473 119.837 120.300 0.016 0.000 2.712 247 Y HA 0.298 4.848 4.550 0.000 0.000 0.333 247 Y C 1.548 177.459 175.900 0.018 0.000 1.225 247 Y CA 0.787 58.899 58.100 0.020 0.000 1.499 247 Y CB 0.260 38.735 38.460 0.025 0.000 1.288 247 Y HN 0.724 nan 8.280 nan 0.000 0.575 248 I N 3.260 123.910 120.570 0.133 0.000 2.325 248 I HA 0.563 4.733 4.170 0.000 0.000 0.291 248 I C -1.275 174.903 176.117 0.101 0.000 1.019 248 I CA -0.218 61.135 61.300 0.087 0.000 1.302 248 I CB 0.261 38.288 38.000 0.045 0.000 1.401 248 I HN 0.382 nan 8.210 nan 0.000 0.485 249 L N 7.355 128.626 121.223 0.080 0.000 2.422 249 L HA 0.604 4.944 4.340 0.000 0.000 0.264 249 L C -2.436 174.458 176.870 0.039 0.000 0.984 249 L CA -1.778 53.100 54.840 0.065 0.000 0.819 249 L CB 2.600 44.699 42.059 0.066 0.000 1.330 249 L HN 0.446 nan 8.230 nan 0.000 0.410 250 P HA 0.148 nan 4.420 nan 0.000 0.268 250 P C 0.695 177.998 177.300 0.006 0.000 1.541 250 P CA -0.178 62.929 63.100 0.011 0.000 1.093 250 P CB 0.549 32.251 31.700 0.004 0.000 1.551 251 L N 2.550 123.778 121.223 0.008 0.000 2.187 251 L HA -0.159 4.181 4.340 0.000 0.000 0.213 251 L C 2.317 179.183 176.870 -0.006 0.000 1.100 251 L CA 1.273 56.117 54.840 0.007 0.000 0.765 251 L CB -0.572 41.494 42.059 0.011 0.000 0.904 251 L HN 0.285 nan 8.230 nan 0.000 0.437 252 I N -0.558 119.999 120.570 -0.022 0.000 2.333 252 I HA -0.195 3.975 4.170 0.000 0.000 0.246 252 I C 2.057 178.134 176.117 -0.068 0.000 1.106 252 I CA 0.844 62.117 61.300 -0.045 0.000 1.411 252 I CB -0.338 37.627 38.000 -0.058 0.000 1.082 252 I HN 0.188 nan 8.210 nan 0.000 0.420 253 D N 1.344 121.705 120.400 -0.065 0.000 2.092 253 D HA -0.148 4.492 4.640 0.000 0.000 0.193 253 D C 2.230 178.509 176.300 -0.035 0.000 0.994 253 D CA 1.402 55.355 54.000 -0.078 0.000 0.828 253 D CB -0.355 40.416 40.800 -0.047 0.000 0.963 253 D HN 0.260 nan 8.370 nan 0.000 0.450 254 L N 0.592 121.813 121.223 -0.003 0.000 2.465 254 L HA -0.040 4.300 4.340 0.000 0.000 0.224 254 L C 1.716 178.608 176.870 0.036 0.000 1.145 254 L CA 0.775 55.632 54.840 0.028 0.000 0.834 254 L CB -0.255 41.822 42.059 0.030 0.000 0.944 254 L HN 0.042 nan 8.230 nan 0.000 0.451 255 S N -3.151 112.555 115.700 0.010 0.000 2.568 255 S HA 0.145 4.615 4.470 0.000 0.000 0.232 255 S C 0.566 175.163 174.600 -0.006 0.000 0.975 255 S CA -0.548 57.660 58.200 0.013 0.000 0.949 255 S CB 0.130 63.333 63.200 0.006 0.000 0.829 255 S HN 0.098 nan 8.310 nan 0.000 0.479 256 T N 2.818 117.356 114.554 -0.026 0.000 2.855 256 T HA 0.581 4.931 4.350 0.000 0.000 0.281 256 T C -0.584 174.107 174.700 -0.016 0.000 1.007 256 T CA -0.599 61.464 62.100 -0.061 0.000 1.009 256 T CB 1.343 70.102 68.868 -0.181 0.000 0.983 256 T HN 0.252 nan 8.240 nan 0.000 0.455 257 L N 3.235 124.440 121.223 -0.029 0.000 2.282 257 L HA 0.451 4.791 4.340 0.000 0.000 0.288 257 L C -0.938 175.999 176.870 0.112 0.000 1.033 257 L CA -1.058 53.736 54.840 -0.077 0.000 0.807 257 L CB 0.622 42.519 42.059 -0.270 0.000 1.209 257 L HN 0.627 nan 8.230 nan 0.000 0.423 258 Y N 4.705 125.045 120.300 0.066 0.000 2.402 258 Y HA 0.467 5.017 4.550 0.000 0.000 0.332 258 Y C -0.792 175.053 175.900 -0.091 0.000 0.960 258 Y CA -1.146 57.052 58.100 0.163 0.000 1.228 258 Y CB 0.475 39.162 38.460 0.379 0.000 1.120 258 Y HN 0.533 nan 8.280 nan 0.000 0.491 259 N N 5.847 124.116 118.700 -0.718 0.000 2.312 259 N HA 0.558 5.298 4.740 0.000 0.000 0.296 259 N C -1.518 173.459 175.510 -0.888 0.000 1.193 259 N CA -0.674 51.877 53.050 -0.832 0.000 0.773 259 N CB 2.316 40.351 38.487 -0.754 0.000 1.435 259 N HN 0.535 nan 8.380 nan 0.000 0.484 260 L N 0.652 121.550 121.223 -0.542 0.000 2.346 260 L HA 0.564 4.904 4.340 0.000 0.000 0.276 260 L C 0.005 176.834 176.870 -0.069 0.000 1.006 260 L CA -0.480 54.203 54.840 -0.262 0.000 0.817 260 L CB 1.676 43.542 42.059 -0.322 0.000 1.272 260 L HN 0.421 nan 8.230 nan 0.000 0.421 261 E N 2.457 122.763 120.200 0.177 0.000 2.413 261 E HA 0.387 4.737 4.350 0.000 0.000 0.277 261 E C -1.539 175.155 176.600 0.156 0.000 0.958 261 E CA -0.828 55.686 56.400 0.190 0.000 0.779 261 E CB 3.237 33.126 29.700 0.314 0.000 1.278 261 E HN 0.667 nan 8.360 nan 0.000 0.456 262 N N -0.130 118.604 118.700 0.057 0.000 2.357 262 N HA 0.519 5.259 4.740 0.000 0.000 0.284 262 N C -1.212 174.334 175.510 0.059 0.000 1.236 262 N CA -0.595 52.418 53.050 -0.060 0.000 0.774 262 N CB 2.035 40.378 38.487 -0.240 0.000 1.534 262 N HN 0.486 nan 8.380 nan 0.000 0.478 263 S N -1.222 114.519 115.700 0.068 0.000 2.656 263 S HA 0.890 5.360 4.470 0.000 0.000 0.273 263 S C -1.480 173.188 174.600 0.114 0.000 1.168 263 S CA -0.896 57.372 58.200 0.114 0.000 0.817 263 S CB 1.322 64.624 63.200 0.169 0.000 1.146 263 S HN 1.066 nan 8.310 nan 0.000 0.475 264 A N 0.760 123.654 122.820 0.122 0.000 2.386 264 A HA 0.840 5.160 4.320 0.000 0.000 0.311 264 A C -1.122 176.545 177.584 0.139 0.000 1.068 264 A CA -0.699 51.418 52.037 0.133 0.000 0.743 264 A CB 1.503 20.581 19.000 0.129 0.000 1.258 264 A HN 0.669 nan 8.150 nan 0.000 0.429 265 Q N 0.059 119.961 119.800 0.171 0.000 2.347 265 Q HA 0.713 5.053 4.340 0.000 0.000 0.271 265 Q C -0.707 175.428 176.000 0.225 0.000 1.064 265 Q CA -0.532 55.425 55.803 0.256 0.000 0.800 265 Q CB 2.406 31.383 28.738 0.397 0.000 1.304 265 Q HN 1.050 nan 8.270 nan 0.000 0.438 266 A N -0.334 122.628 122.820 0.237 0.000 2.485 266 A HA 0.900 5.220 4.320 0.000 0.000 0.292 266 A C 0.230 177.893 177.584 0.132 0.000 1.147 266 A CA -0.178 51.901 52.037 0.070 0.000 0.750 266 A CB 1.555 20.586 19.000 0.051 0.000 1.331 266 A HN 1.019 nan 8.150 nan 0.000 0.419 267 G N -0.756 108.030 108.800 -0.023 0.000 2.173 267 G HA2 -0.007 3.953 3.960 0.000 0.000 0.174 267 G HA3 -0.007 3.953 3.960 0.000 0.000 0.174 267 G C -0.429 174.460 174.900 -0.017 0.000 1.025 267 G CA -0.007 45.133 45.100 0.067 0.000 0.706 267 G HN 0.801 nan 8.290 nan 0.000 0.499 268 L N 1.059 122.078 121.223 -0.341 0.000 2.395 268 L HA 0.707 5.047 4.340 0.000 0.000 0.269 268 L C 0.645 177.440 176.870 -0.126 0.000 1.133 268 L CA 0.081 54.692 54.840 -0.381 0.000 0.812 268 L CB 1.518 43.232 42.059 -0.575 0.000 1.125 268 L HN 0.175 nan 8.230 nan 0.000 0.452 269 T N 2.230 116.744 114.554 -0.066 0.000 2.881 269 T HA 0.384 4.734 4.350 0.000 0.000 0.290 269 T C -2.627 172.045 174.700 -0.045 0.000 1.000 269 T CA -1.439 60.641 62.100 -0.034 0.000 0.978 269 T CB 1.873 70.740 68.868 -0.002 0.000 0.997 269 T HN 0.221 nan 8.240 nan 0.000 0.443 270 P HA 0.098 nan 4.420 nan 0.000 0.262 270 P C 0.281 177.554 177.300 -0.044 0.000 1.182 270 P CA 0.547 63.623 63.100 -0.040 0.000 0.761 270 P CB -0.040 31.645 31.700 -0.024 0.000 0.795 271 N N -1.202 117.458 118.700 -0.068 0.000 2.863 271 N HA -0.157 4.583 4.740 0.000 0.000 0.245 271 N C -0.628 174.849 175.510 -0.056 0.000 1.001 271 N CA 0.210 53.222 53.050 -0.063 0.000 0.901 271 N CB -1.311 37.160 38.487 -0.027 0.000 1.124 271 N HN 0.143 nan 8.380 nan 0.000 0.582 272 V N 0.994 120.874 119.914 -0.056 0.000 2.483 272 V HA 0.245 4.365 4.120 0.000 0.000 0.295 272 V C 0.062 176.132 176.094 -0.040 0.000 1.035 272 V CA -0.607 61.676 62.300 -0.027 0.000 0.896 272 V CB 1.729 33.554 31.823 0.002 0.000 0.986 272 V HN 0.018 nan 8.190 nan 0.000 0.447 273 D N 3.217 123.604 120.400 -0.023 0.000 2.401 273 D HA 0.145 4.785 4.640 0.000 0.000 0.254 273 D C -0.561 175.756 176.300 0.027 0.000 1.192 273 D CA 0.388 54.371 54.000 -0.028 0.000 0.885 273 D CB 0.445 41.249 40.800 0.007 0.000 1.147 273 D HN 0.353 nan 8.370 nan 0.000 0.478 274 F N 3.836 123.699 119.950 -0.144 0.000 2.361 274 F HA 0.305 4.832 4.527 0.000 0.000 0.364 274 F C -0.689 175.063 175.800 -0.081 0.000 1.120 274 F CA -0.762 57.169 58.000 -0.114 0.000 1.102 274 F CB 0.657 39.561 39.000 -0.160 0.000 1.183 274 F HN -0.004 nan 8.300 nan 0.000 0.476 275 V N 6.739 126.384 119.914 -0.449 0.000 2.435 275 V HA 0.447 4.567 4.120 0.000 0.000 0.290 275 V C -0.560 175.285 176.094 -0.414 0.000 1.030 275 V CA -0.876 61.238 62.300 -0.309 0.000 0.881 275 V CB 1.539 33.259 31.823 -0.171 0.000 0.983 275 V HN 0.460 nan 8.190 nan 0.000 0.445 276 V N 4.963 124.743 119.914 -0.223 0.000 2.326 276 V HA 0.330 4.450 4.120 0.000 0.000 0.281 276 V C -0.029 175.970 176.094 -0.159 0.000 1.015 276 V CA -0.761 61.421 62.300 -0.197 0.000 0.823 276 V CB 1.359 33.122 31.823 -0.100 0.000 1.009 276 V HN 0.831 nan 8.190 nan 0.000 0.436 277 Q N 3.069 122.782 119.800 -0.146 0.000 2.364 277 Q HA 0.239 4.579 4.340 0.000 0.000 0.267 277 Q C -0.845 175.044 176.000 -0.185 0.000 0.999 277 Q CA 0.223 55.967 55.803 -0.098 0.000 0.886 277 Q CB 0.826 29.519 28.738 -0.076 0.000 1.243 277 Q HN 0.619 nan 8.270 nan 0.000 0.415 278 Y N 0.212 120.390 120.300 -0.203 0.000 2.313 278 Y HA 0.351 4.901 4.550 0.000 0.000 0.332 278 Y C 0.807 176.574 175.900 -0.222 0.000 1.071 278 Y CA -0.378 57.470 58.100 -0.420 0.000 1.169 278 Y CB 0.977 39.062 38.460 -0.625 0.000 1.192 278 Y HN 0.672 nan 8.280 nan 0.000 0.487 279 A N 4.060 126.866 122.820 -0.023 0.000 2.409 279 A HA 0.158 4.478 4.320 0.000 0.000 0.246 279 A C 0.329 177.919 177.584 0.011 0.000 1.099 279 A CA -0.555 51.435 52.037 -0.077 0.000 0.789 279 A CB 0.006 18.834 19.000 -0.287 0.000 1.053 279 A HN 0.857 nan 8.150 nan 0.000 0.503 280 N N -0.841 117.811 118.700 -0.080 0.000 2.447 280 N HA 0.469 5.209 4.740 0.000 0.000 0.271 280 N C 0.515 176.010 175.510 -0.025 0.000 1.226 280 N CA 0.024 53.066 53.050 -0.013 0.000 0.980 280 N CB 1.297 39.753 38.487 -0.051 0.000 1.206 280 N HN 0.833 nan 8.380 nan 0.000 0.558 281 L N -3.612 117.708 121.223 0.163 0.000 3.898 281 L HA -0.275 4.065 4.340 0.000 0.000 0.382 281 L C -0.555 176.554 176.870 0.399 0.000 0.711 281 L CA 1.460 56.476 54.840 0.294 0.000 2.828 281 L CB -1.293 40.828 42.059 0.104 0.000 0.852 281 L HN 0.524 nan 8.230 nan 0.000 0.694 282 Y N 1.326 121.655 120.300 0.049 0.000 2.309 282 Y HA 0.434 4.984 4.550 -0.000 0.000 0.327 282 Y C 1.024 176.866 175.900 -0.097 0.000 1.172 282 Y CA -0.680 57.278 58.100 -0.237 0.000 1.280 282 Y CB 0.557 38.485 38.460 -0.886 0.000 1.234 282 Y HN 0.022 nan 8.280 nan 0.000 0.512 283 R N 3.301 123.797 120.500 -0.006 0.000 2.233 283 R HA 0.259 4.599 4.340 0.000 0.000 0.334 283 R C -1.507 174.821 176.300 0.047 0.000 1.037 283 R CA -0.562 55.544 56.100 0.011 0.000 0.920 283 R CB 0.211 30.459 30.300 -0.086 0.000 1.137 283 R HN 0.469 nan 8.270 nan 0.000 0.492 284 Y N 3.402 123.792 120.300 0.150 0.000 2.486 284 Y HA 0.033 4.583 4.550 0.000 0.000 0.348 284 Y C 1.375 177.340 175.900 0.109 0.000 1.000 284 Y CA -0.249 57.975 58.100 0.207 0.000 1.253 284 Y CB 0.547 39.176 38.460 0.282 0.000 1.140 284 Y HN 0.469 nan 8.280 nan 0.000 0.526 285 L N 1.851 123.181 121.223 0.178 0.000 2.162 285 L HA 0.022 4.362 4.340 0.000 0.000 0.205 285 L C 0.794 177.775 176.870 0.185 0.000 1.086 285 L CA 0.691 55.580 54.840 0.082 0.000 0.778 285 L CB -0.148 41.868 42.059 -0.071 0.000 0.928 285 L HN 0.625 nan 8.230 nan 0.000 0.446 286 S N -1.977 113.895 115.700 0.287 0.000 2.570 286 S HA 0.599 5.069 4.470 0.000 0.000 0.270 286 S C -0.631 174.178 174.600 0.348 0.000 1.149 286 S CA -0.691 57.657 58.200 0.248 0.000 0.837 286 S CB 2.349 65.740 63.200 0.317 0.000 1.124 286 S HN -0.068 nan 8.310 nan 0.000 0.465 287 T N 2.004 116.683 114.554 0.208 0.000 2.921 287 T HA 0.607 4.957 4.350 0.000 0.000 0.297 287 T C -0.947 173.754 174.700 0.001 0.000 1.013 287 T CA -0.427 61.760 62.100 0.145 0.000 0.990 287 T CB 0.896 69.902 68.868 0.230 0.000 1.023 287 T HN 0.663 nan 8.240 nan 0.000 0.447 288 I N 2.236 122.732 120.570 -0.124 0.000 2.509 288 I HA 0.715 4.885 4.170 0.000 0.000 0.293 288 I C -0.388 175.583 176.117 -0.244 0.000 1.020 288 I CA -1.026 60.232 61.300 -0.069 0.000 1.088 288 I CB 1.784 39.832 38.000 0.079 0.000 1.267 288 I HN 0.729 nan 8.210 nan 0.000 0.430 289 A N 6.372 129.105 122.820 -0.145 0.000 2.335 289 A HA 0.727 5.047 4.320 0.000 0.000 0.304 289 A C -1.085 176.584 177.584 0.141 0.000 1.118 289 A CA -0.461 51.502 52.037 -0.123 0.000 0.757 289 A CB 1.325 20.149 19.000 -0.294 0.000 1.188 289 A HN 0.392 nan 8.150 nan 0.000 0.460 290 V N 3.305 123.318 119.914 0.165 0.000 2.347 290 V HA 0.304 4.424 4.120 0.000 0.000 0.280 290 V C -0.616 175.677 176.094 0.332 0.000 1.021 290 V CA -0.375 62.070 62.300 0.243 0.000 0.847 290 V CB 1.123 33.035 31.823 0.147 0.000 0.990 290 V HN 0.776 nan 8.190 nan 0.000 0.444 291 F N 5.234 125.295 119.950 0.185 0.000 2.515 291 F HA 0.356 4.883 4.527 0.000 0.000 0.353 291 F C 0.505 176.227 175.800 -0.130 0.000 1.213 291 F CA -1.778 56.250 58.000 0.047 0.000 1.194 291 F CB 0.107 39.151 39.000 0.074 0.000 1.488 291 F HN 0.587 nan 8.300 nan 0.000 0.619 292 D N 4.213 124.600 120.400 -0.021 0.000 2.435 292 D HA -0.038 4.602 4.640 0.000 0.000 0.230 292 D C -0.079 175.860 176.300 -0.601 0.000 1.215 292 D CA 0.088 53.770 54.000 -0.530 0.000 0.947 292 D CB -0.323 40.401 40.800 -0.126 0.000 1.048 292 D HN 0.265 nan 8.370 nan 0.000 0.512 293 N N 2.725 120.824 118.700 -1.002 0.000 3.050 293 N HA 0.182 4.922 4.740 0.000 0.000 0.289 293 N C 0.822 176.008 175.510 -0.541 0.000 1.209 293 N CA 0.441 52.949 53.050 -0.904 0.000 1.154 293 N CB -0.365 37.434 38.487 -1.147 0.000 1.444 293 N HN 0.616 nan 8.380 nan 0.000 0.529 294 G N 1.148 109.730 108.800 -0.364 0.000 2.305 294 G HA2 -0.235 3.725 3.960 0.000 0.000 0.287 294 G HA3 -0.235 3.725 3.960 0.000 0.000 0.287 294 G C 0.939 175.696 174.900 -0.239 0.000 1.036 294 G CA 0.571 45.528 45.100 -0.237 0.000 0.887 294 G HN 1.122 nan 8.290 nan 0.000 0.505 295 G N -2.525 106.077 108.800 -0.330 0.000 2.176 295 G HA2 -0.017 3.943 3.960 0.000 0.000 0.232 295 G HA3 -0.017 3.943 3.960 0.000 0.000 0.232 295 G C 0.356 175.086 174.900 -0.285 0.000 0.986 295 G CA 0.650 45.621 45.100 -0.216 0.000 0.643 295 G HN 1.692 nan 8.290 nan 0.000 0.522 296 S N -0.065 115.329 115.700 -0.510 0.000 2.475 296 S HA 0.787 5.257 4.470 0.000 0.000 0.298 296 S C -0.860 173.299 174.600 -0.735 0.000 1.119 296 S CA -0.381 57.577 58.200 -0.403 0.000 1.085 296 S CB 0.928 63.953 63.200 -0.292 0.000 1.028 296 S HN 0.312 nan 8.310 nan 0.000 0.489 297 F N 2.907 122.755 119.950 -0.169 0.000 2.445 297 F HA 0.444 4.971 4.527 -0.000 0.000 0.348 297 F C 0.433 176.180 175.800 -0.088 0.000 1.125 297 F CA -0.868 57.045 58.000 -0.145 0.000 0.983 297 F CB 1.188 40.101 39.000 -0.145 0.000 1.198 297 F HN 0.380 nan 8.300 nan 0.000 0.436 298 N N 1.474 120.189 118.700 0.026 0.000 2.417 298 N HA 0.473 5.213 4.740 0.000 0.000 0.300 298 N C -0.385 175.203 175.510 0.130 0.000 1.102 298 N CA -0.679 52.403 53.050 0.053 0.000 0.886 298 N CB 2.228 40.713 38.487 -0.004 0.000 1.203 298 N HN 0.588 nan 8.380 nan 0.000 0.496 299 A N 0.735 123.623 122.820 0.114 0.000 3.048 299 A HA 0.438 4.758 4.320 0.000 0.000 0.264 299 A C 1.389 179.085 177.584 0.186 0.000 1.796 299 A CA 0.380 52.499 52.037 0.138 0.000 1.445 299 A CB -1.480 17.580 19.000 0.100 0.000 1.074 299 A HN 0.924 nan 8.150 nan 0.000 0.621 300 G N 0.950 109.924 108.800 0.290 0.000 2.353 300 G HA2 -0.429 3.531 3.960 0.000 0.000 0.258 300 G HA3 -0.429 3.531 3.960 0.000 0.000 0.258 300 G C 1.385 176.377 174.900 0.153 0.000 1.013 300 G CA 1.519 46.786 45.100 0.278 0.000 0.622 300 G HN 1.551 nan 8.290 nan 0.000 0.535 301 T N -0.517 114.107 114.554 0.118 0.000 2.946 301 T HA 0.016 4.366 4.350 0.000 0.000 0.271 301 T C 1.465 176.201 174.700 0.059 0.000 1.104 301 T CA 1.924 64.068 62.100 0.073 0.000 1.114 301 T CB -0.264 68.635 68.868 0.053 0.000 0.867 301 T HN 0.668 nan 8.240 nan 0.000 0.513 302 D N 0.393 120.843 120.400 0.083 0.000 2.388 302 D HA 0.258 4.898 4.640 0.000 0.000 0.221 302 D C 0.114 176.498 176.300 0.141 0.000 1.133 302 D CA -0.535 53.520 54.000 0.092 0.000 0.831 302 D CB -0.386 40.441 40.800 0.045 0.000 0.962 302 D HN 0.488 nan 8.370 nan 0.000 0.502 303 I N 0.307 120.909 120.570 0.054 0.000 2.582 303 I HA 0.227 4.397 4.170 0.000 0.000 0.292 303 I C 0.602 176.660 176.117 -0.098 0.000 1.066 303 I CA -0.894 60.360 61.300 -0.076 0.000 1.053 303 I CB 2.152 40.041 38.000 -0.185 0.000 1.241 303 I HN -0.273 nan 8.210 nan 0.000 0.421 304 N N 3.668 122.258 118.700 -0.183 0.000 2.251 304 N HA 0.006 4.746 4.740 0.000 0.000 0.181 304 N C -0.612 174.890 175.510 -0.014 0.000 1.019 304 N CA 1.290 54.274 53.050 -0.109 0.000 0.862 304 N CB 0.287 38.666 38.487 -0.179 0.000 0.992 304 N HN 0.643 nan 8.380 nan 0.000 0.429 305 Y N -2.115 118.102 120.300 -0.138 0.000 2.732 305 Y HA 0.567 5.117 4.550 0.000 0.000 0.342 305 Y C -1.979 173.744 175.900 -0.295 0.000 1.203 305 Y CA -1.483 56.520 58.100 -0.162 0.000 1.092 305 Y CB 0.251 38.660 38.460 -0.086 0.000 1.345 305 Y HN -0.272 nan 8.280 nan 0.000 0.458 306 L N 1.849 123.007 121.223 -0.108 0.000 2.301 306 L HA 0.956 5.296 4.340 0.000 0.000 0.264 306 L C -0.013 176.727 176.870 -0.217 0.000 1.016 306 L CA -0.581 53.954 54.840 -0.509 0.000 0.821 306 L CB 2.114 43.363 42.059 -1.349 0.000 1.346 306 L HN 0.912 nan 8.230 nan 0.000 0.429 307 S N -0.288 115.183 115.700 -0.383 0.000 2.636 307 S HA 0.550 5.020 4.470 0.000 0.000 0.266 307 S C -2.178 172.309 174.600 -0.189 0.000 1.147 307 S CA -0.645 57.525 58.200 -0.051 0.000 0.815 307 S CB 1.458 64.669 63.200 0.017 0.000 1.119 307 S HN 0.569 nan 8.310 nan 0.000 0.470 308 Q N 1.477 121.282 119.800 0.009 0.000 2.290 308 Q HA 0.489 4.829 4.340 0.000 0.000 0.269 308 Q C -0.843 175.178 176.000 0.034 0.000 1.016 308 Q CA -0.619 55.215 55.803 0.052 0.000 0.754 308 Q CB 2.089 30.904 28.738 0.128 0.000 1.247 308 Q HN 0.687 nan 8.270 nan 0.000 0.451 309 R N -0.066 120.454 120.500 0.033 0.000 2.888 309 R HA 0.769 5.109 4.340 0.000 0.000 0.266 309 R C -0.794 175.515 176.300 0.015 0.000 1.020 309 R CA -0.630 55.478 56.100 0.014 0.000 0.963 309 R CB 1.583 31.885 30.300 0.002 0.000 1.197 309 R HN 0.216 nan 8.270 nan 0.000 0.481 310 T N 0.270 114.824 114.554 0.000 0.000 2.952 310 T HA 0.396 4.746 4.350 0.000 0.000 0.286 310 T C 1.386 176.081 174.700 -0.008 0.000 1.024 310 T CA -0.073 62.023 62.100 -0.005 0.000 1.029 310 T CB 1.667 70.527 68.868 -0.014 0.000 1.094 310 T HN 0.712 nan 8.240 nan 0.000 0.515 311 A N 1.579 124.392 122.820 -0.012 0.000 1.971 311 A HA -0.208 4.112 4.320 0.000 0.000 0.222 311 A C 2.165 179.740 177.584 -0.015 0.000 1.182 311 A CA 2.605 54.633 52.037 -0.015 0.000 0.649 311 A CB -1.885 17.103 19.000 -0.019 0.000 0.818 311 A HN 1.005 nan 8.150 nan 0.000 0.458 312 N N -2.018 116.673 118.700 -0.015 0.000 2.680 312 N HA 0.269 5.009 4.740 0.000 0.000 0.197 312 N C 1.272 176.773 175.510 -0.015 0.000 1.288 312 N CA 1.363 54.404 53.050 -0.015 0.000 0.924 312 N CB -1.717 36.761 38.487 -0.016 0.000 1.025 312 N HN 1.955 nan 8.380 nan 0.000 0.447 313 F N -1.208 118.734 119.950 -0.013 0.000 3.097 313 F HA -0.263 4.264 4.527 0.000 0.000 0.278 313 F C 1.960 177.750 175.800 -0.018 0.000 0.917 313 F CA 1.169 59.161 58.000 -0.014 0.000 0.962 313 F CB -2.978 36.014 39.000 -0.013 0.000 0.964 313 F HN 0.585 nan 8.300 nan 0.000 0.668 314 S N -1.087 114.602 115.700 -0.017 0.000 2.404 314 S HA 0.134 4.604 4.470 0.000 0.000 0.216 314 S C 0.608 175.192 174.600 -0.026 0.000 1.039 314 S CA 1.057 59.245 58.200 -0.020 0.000 1.062 314 S CB -0.282 62.908 63.200 -0.016 0.000 1.046 314 S HN 1.173 nan 8.310 nan 0.000 0.415 315 D N -0.118 120.269 120.400 -0.021 0.000 3.826 315 D HA -0.080 4.560 4.640 0.000 0.000 0.233 315 D C 0.514 176.802 176.300 -0.020 0.000 1.047 315 D CA 0.782 54.767 54.000 -0.025 0.000 1.052 315 D CB -1.173 39.595 40.800 -0.054 0.000 0.840 315 D HN 0.549 nan 8.370 nan 0.000 0.389 316 T N -1.458 113.092 114.554 -0.007 0.000 3.088 316 T HA 0.037 4.387 4.350 0.000 0.000 0.259 316 T C 1.097 175.794 174.700 -0.004 0.000 1.122 316 T CA 0.526 62.621 62.100 -0.008 0.000 1.095 316 T CB 0.513 69.376 68.868 -0.008 0.000 0.930 316 T HN 0.339 nan 8.240 nan 0.000 0.508 317 R N 0.551 121.063 120.500 0.019 0.000 2.583 317 R HA 0.257 4.597 4.340 0.000 0.000 0.282 317 R C -0.782 175.592 176.300 0.123 0.000 1.288 317 R CA -0.341 55.788 56.100 0.049 0.000 1.415 317 R CB 0.612 30.935 30.300 0.038 0.000 1.331 317 R HN 0.206 nan 8.270 nan 0.000 0.719 318 K N 2.328 122.746 120.400 0.029 0.000 2.315 318 K HA 0.269 4.589 4.320 0.000 0.000 0.291 318 K C -0.822 175.791 176.600 0.022 0.000 1.074 318 K CA 0.230 56.499 56.287 -0.031 0.000 0.936 318 K CB 0.315 32.688 32.500 -0.212 0.000 1.049 318 K HN 0.201 nan 8.250 nan 0.000 0.471 319 L N 3.464 124.792 121.223 0.174 0.000 2.388 319 L HA 0.327 4.667 4.340 0.000 0.000 0.264 319 L C -0.466 176.543 176.870 0.232 0.000 0.998 319 L CA -1.356 53.615 54.840 0.218 0.000 0.817 319 L CB 2.086 44.355 42.059 0.351 0.000 1.338 319 L HN 0.724 nan 8.230 nan 0.000 0.414 320 D N 0.686 121.194 120.400 0.180 0.000 2.362 320 D HA 0.168 4.808 4.640 0.000 0.000 0.242 320 D C -2.093 174.324 176.300 0.194 0.000 1.132 320 D CA -1.236 52.862 54.000 0.165 0.000 0.907 320 D CB 0.720 41.595 40.800 0.125 0.000 1.195 320 D HN 0.184 nan 8.370 nan 0.000 0.429 321 P HA -0.248 nan 4.420 nan 0.000 0.216 321 P C 0.982 178.458 177.300 0.293 0.000 1.157 321 P CA 1.690 64.897 63.100 0.178 0.000 0.880 321 P CB 0.098 31.874 31.700 0.127 0.000 0.791 322 K N -1.315 119.216 120.400 0.219 0.000 2.097 322 K HA -0.057 4.263 4.320 0.000 0.000 0.205 322 K C 2.016 178.742 176.600 0.209 0.000 1.050 322 K CA 1.643 58.052 56.287 0.204 0.000 0.938 322 K CB -0.734 31.851 32.500 0.142 0.000 0.718 322 K HN 0.170 nan 8.250 nan 0.000 0.442 323 T N 0.555 115.229 114.554 0.200 0.000 2.867 323 T HA -0.151 4.199 4.350 0.000 0.000 0.268 323 T C 1.183 176.011 174.700 0.213 0.000 1.057 323 T CA 0.670 62.871 62.100 0.168 0.000 1.136 323 T CB -0.136 68.812 68.868 0.134 0.000 0.874 323 T HN 0.426 nan 8.240 nan 0.000 0.466 324 W N 2.195 123.566 121.300 0.118 0.000 2.355 324 W HA -0.083 4.577 4.660 -0.000 0.000 0.309 324 W C 2.488 179.126 176.519 0.198 0.000 1.206 324 W CA 1.280 58.716 57.345 0.151 0.000 1.284 324 W CB -0.653 28.905 29.460 0.164 0.000 1.145 324 W HN 0.292 nan 8.180 nan 0.000 0.502 325 A N 0.971 124.085 122.820 0.491 0.000 1.940 325 A HA -0.097 4.223 4.320 0.000 0.000 0.219 325 A C 2.197 179.903 177.584 0.203 0.000 1.176 325 A CA 2.736 54.995 52.037 0.370 0.000 0.631 325 A CB -1.281 17.909 19.000 0.317 0.000 0.814 325 A HN 0.309 nan 8.150 nan 0.000 0.446 326 A N -1.186 121.726 122.820 0.153 0.000 1.908 326 A HA -0.234 4.086 4.320 0.000 0.000 0.218 326 A C 2.120 179.737 177.584 0.055 0.000 1.181 326 A CA 2.128 54.218 52.037 0.089 0.000 0.627 326 A CB -0.527 18.517 19.000 0.074 0.000 0.818 326 A HN 0.481 nan 8.150 nan 0.000 0.445 327 Q N -0.662 119.148 119.800 0.018 0.000 2.096 327 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 327 Q C 2.166 178.184 176.000 0.029 0.000 0.982 327 Q CA 2.297 58.077 55.803 -0.038 0.000 0.850 327 Q CB -0.789 27.831 28.738 -0.196 0.000 0.901 327 Q HN 0.649 nan 8.270 nan 0.000 0.422 328 T N -0.124 114.488 114.554 0.097 0.000 2.821 328 T HA -0.064 4.286 4.350 0.000 0.000 0.267 328 T C 1.577 176.341 174.700 0.107 0.000 1.046 328 T CA 0.937 63.165 62.100 0.214 0.000 1.139 328 T CB -0.085 69.000 68.868 0.361 0.000 0.871 328 T HN 0.273 nan 8.240 nan 0.000 0.454 329 R N 0.774 121.316 120.500 0.071 0.000 2.159 329 R HA 0.002 4.342 4.340 0.000 0.000 0.237 329 R C 2.476 178.783 176.300 0.012 0.000 1.131 329 R CA 0.838 56.951 56.100 0.021 0.000 0.982 329 R CB -0.096 30.221 30.300 0.029 0.000 0.868 329 R HN 0.240 nan 8.270 nan 0.000 0.453 330 R N 0.072 120.590 120.500 0.029 0.000 2.189 330 R HA -0.024 4.316 4.340 0.000 0.000 0.218 330 R C 1.935 178.253 176.300 0.030 0.000 1.074 330 R CA 0.848 56.962 56.100 0.023 0.000 0.991 330 R CB -0.123 30.192 30.300 0.024 0.000 0.883 330 R HN 0.065 nan 8.270 nan 0.000 0.457 331 R N 0.732 121.265 120.500 0.055 0.000 2.066 331 R HA 0.121 4.461 4.340 0.000 0.000 0.224 331 R C 1.955 178.249 176.300 -0.010 0.000 1.122 331 R CA 0.990 57.133 56.100 0.072 0.000 0.974 331 R CB 0.083 30.504 30.300 0.200 0.000 0.871 331 R HN 0.295 nan 8.270 nan 0.000 0.435 332 I N -4.695 115.828 120.570 -0.078 0.000 3.947 332 I HA 0.486 4.656 4.170 0.000 0.000 0.327 332 I C 0.205 176.237 176.117 -0.143 0.000 1.519 332 I CA 0.159 61.361 61.300 -0.162 0.000 1.122 332 I CB 0.953 38.735 38.000 -0.363 0.000 1.146 332 I HN 0.066 nan 8.210 nan 0.000 0.442 333 A N 0.302 123.070 122.820 -0.086 0.000 2.829 333 A HA -0.232 4.088 4.320 0.000 0.000 0.267 333 A C 0.633 178.172 177.584 -0.076 0.000 1.370 333 A CA 1.810 53.807 52.037 -0.067 0.000 0.900 333 A CB -2.257 16.706 19.000 -0.061 0.000 1.044 333 A HN 0.825 nan 8.150 nan 0.000 0.691 334 T N -1.978 112.511 114.554 -0.107 0.000 2.661 334 T HA 0.495 4.845 4.350 0.000 0.000 0.303 334 T C -2.126 172.495 174.700 -0.131 0.000 1.658 334 T CA 0.123 62.161 62.100 -0.102 0.000 0.974 334 T CB 0.909 69.709 68.868 -0.113 0.000 1.857 334 T HN 0.276 nan 8.240 nan 0.000 0.475 335 D N 0.555 120.896 120.400 -0.099 0.000 2.217 335 D HA 0.535 5.175 4.640 0.000 0.000 0.248 335 D C -0.334 175.874 176.300 -0.153 0.000 1.008 335 D CA -0.133 53.828 54.000 -0.064 0.000 0.914 335 D CB 0.772 41.585 40.800 0.021 0.000 1.182 335 D HN 0.289 nan 8.370 nan 0.000 0.451 336 F N 0.635 120.519 119.950 -0.111 0.000 2.399 336 F HA 0.234 4.761 4.527 -0.000 0.000 0.313 336 F C -1.349 174.346 175.800 -0.176 0.000 1.202 336 F CA -1.363 56.495 58.000 -0.238 0.000 1.192 336 F CB -0.155 38.596 39.000 -0.415 0.000 1.256 336 F HN 0.066 nan 8.300 nan 0.000 0.558 337 P HA -0.020 nan 4.420 nan 0.000 0.270 337 P C -1.073 176.260 177.300 0.056 0.000 1.227 337 P CA -0.179 62.988 63.100 0.112 0.000 0.788 337 P CB 0.322 32.196 31.700 0.290 0.000 0.926 338 K N 1.129 121.571 120.400 0.069 0.000 2.511 338 K HA 0.141 4.461 4.320 0.000 0.000 0.280 338 K C 1.278 177.940 176.600 0.104 0.000 1.008 338 K CA 1.188 57.516 56.287 0.069 0.000 1.050 338 K CB -0.699 31.860 32.500 0.098 0.000 0.889 338 K HN 0.852 nan 8.250 nan 0.000 0.484 339 G N 1.164 109.988 108.800 0.040 0.000 2.179 339 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 339 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 339 G C 0.044 174.902 174.900 -0.070 0.000 0.977 339 G CA 0.061 45.249 45.100 0.147 0.000 0.641 339 G HN 0.426 nan 8.290 nan 0.000 0.533 340 V N 0.987 120.691 119.914 -0.350 0.000 2.370 340 V HA 0.651 4.771 4.120 0.000 0.000 0.279 340 V C -0.294 175.405 176.094 -0.658 0.000 1.029 340 V CA -0.753 61.325 62.300 -0.371 0.000 0.870 340 V CB 0.867 32.447 31.823 -0.406 0.000 0.984 340 V HN 0.246 nan 8.190 nan 0.000 0.451 341 Y N 4.187 124.525 120.300 0.064 0.000 2.376 341 Y HA 0.586 5.136 4.550 -0.000 0.000 0.340 341 Y C -0.494 175.587 175.900 0.301 0.000 0.965 341 Y CA -0.815 57.427 58.100 0.238 0.000 1.078 341 Y CB 1.652 40.194 38.460 0.137 0.000 1.193 341 Y HN 0.637 nan 8.280 nan 0.000 0.452 342 Y N 2.617 123.186 120.300 0.449 0.000 2.446 342 Y HA 0.669 5.219 4.550 0.000 0.000 0.338 342 Y C -1.028 175.171 175.900 0.498 0.000 1.055 342 Y CA -1.793 56.483 58.100 0.294 0.000 1.101 342 Y CB 1.624 40.178 38.460 0.156 0.000 1.221 342 Y HN 0.801 nan 8.280 nan 0.000 0.460 343 C N 6.954 126.029 119.300 -0.376 0.000 2.505 343 C HA 0.362 4.822 4.460 0.000 0.000 0.342 343 C C -1.358 173.251 174.990 -0.636 0.000 1.121 343 C CA -0.716 58.137 59.018 -0.274 0.000 1.306 343 C CB -0.036 27.929 27.740 0.375 0.000 1.897 343 C HN 0.897 nan 8.230 nan 0.000 0.446 344 D N 4.077 124.163 120.400 -0.523 0.000 2.274 344 D HA 0.305 4.945 4.640 0.000 0.000 0.239 344 D C -0.041 176.222 176.300 -0.061 0.000 1.104 344 D CA 0.237 54.092 54.000 -0.242 0.000 0.840 344 D CB 0.804 41.602 40.800 -0.004 0.000 1.100 344 D HN 0.726 nan 8.370 nan 0.000 0.477 345 N N 3.514 122.222 118.700 0.014 0.000 2.517 345 N HA 0.100 4.840 4.740 0.000 0.000 0.285 345 N C 1.038 176.577 175.510 0.048 0.000 1.528 345 N CA -0.160 52.910 53.050 0.035 0.000 0.892 345 N CB 0.740 39.259 38.487 0.054 0.000 1.356 345 N HN 0.361 nan 8.380 nan 0.000 0.495 346 R N 0.408 120.945 120.500 0.063 0.000 2.075 346 R HA -0.030 4.310 4.340 0.000 0.000 0.232 346 R C 0.820 177.136 176.300 0.026 0.000 1.126 346 R CA 1.119 57.252 56.100 0.055 0.000 0.963 346 R CB 0.132 30.506 30.300 0.124 0.000 0.858 346 R HN 0.140 nan 8.270 nan 0.000 0.435 347 D N 0.572 120.993 120.400 0.035 0.000 2.149 347 D HA -0.053 4.587 4.640 0.000 0.000 0.201 347 D C 0.226 176.540 176.300 0.023 0.000 0.972 347 D CA 1.269 55.285 54.000 0.027 0.000 0.835 347 D CB 0.206 41.023 40.800 0.028 0.000 0.966 347 D HN 0.134 nan 8.370 nan 0.000 0.476 348 K N 1.035 121.449 120.400 0.025 0.000 2.753 348 K HA 0.309 4.629 4.320 0.000 0.000 0.185 348 K C -2.727 173.896 176.600 0.038 0.000 1.071 348 K CA -1.494 54.812 56.287 0.031 0.000 0.999 348 K CB 2.215 34.730 32.500 0.025 0.000 1.244 348 K HN -0.116 nan 8.250 nan 0.000 0.594 349 P HA -0.056 nan 4.420 nan 0.000 0.264 349 P C -0.068 177.293 177.300 0.101 0.000 1.183 349 P CA -0.098 63.042 63.100 0.066 0.000 0.763 349 P CB 0.407 32.132 31.700 0.041 0.000 0.807 350 I N 4.091 124.713 120.570 0.086 0.000 2.662 350 I HA -0.062 4.108 4.170 0.000 0.000 0.285 350 I C 0.045 176.305 176.117 0.238 0.000 1.161 350 I CA 0.525 61.830 61.300 0.009 0.000 1.415 350 I CB -1.184 36.587 38.000 -0.382 0.000 1.385 350 I HN 0.409 nan 8.210 nan 0.000 0.552 351 Y N 6.888 127.207 120.300 0.033 0.000 2.400 351 Y HA 0.228 4.778 4.550 -0.000 0.000 0.335 351 Y C 0.400 176.323 175.900 0.037 0.000 1.066 351 Y CA -1.566 56.582 58.100 0.081 0.000 1.285 351 Y CB 0.867 39.372 38.460 0.074 0.000 1.103 351 Y HN 0.732 nan 8.280 nan 0.000 0.490 352 T N 1.563 116.127 114.554 0.017 0.000 2.795 352 T HA 0.342 4.692 4.350 0.000 0.000 0.314 352 T C 1.077 175.589 174.700 -0.314 0.000 1.069 352 T CA 0.417 62.450 62.100 -0.112 0.000 1.071 352 T CB 0.719 69.560 68.868 -0.044 0.000 0.988 352 T HN 0.850 nan 8.240 nan 0.000 0.543 353 L N -1.898 119.188 121.223 -0.228 0.000 5.081 353 L HA -0.250 4.090 4.340 0.000 0.000 0.423 353 L C 1.377 178.070 176.870 -0.294 0.000 1.019 353 L CA 1.210 55.904 54.840 -0.243 0.000 1.223 353 L CB -2.501 39.403 42.059 -0.258 0.000 1.940 353 L HN 0.952 nan 8.230 nan 0.000 0.675 354 Q N -1.941 117.673 119.800 -0.310 0.000 1.985 354 Q HA 0.551 4.891 4.340 0.000 0.000 0.199 354 Q C 0.553 176.500 176.000 -0.089 0.000 0.776 354 Q CA 0.900 56.578 55.803 -0.208 0.000 0.988 354 Q CB 0.303 28.873 28.738 -0.280 0.000 1.224 354 Q HN 1.159 nan 8.270 nan 0.000 0.432 355 Y N -2.949 117.297 120.300 -0.091 0.000 3.073 355 Y HA 0.532 5.082 4.550 0.000 0.000 0.324 355 Y C 1.215 177.084 175.900 -0.051 0.000 0.936 355 Y CA 0.666 58.738 58.100 -0.047 0.000 1.139 355 Y CB -0.358 38.089 38.460 -0.021 0.000 1.418 355 Y HN 1.769 nan 8.280 nan 0.000 0.560 356 G N 1.067 109.824 108.800 -0.072 0.000 2.757 356 G HA2 0.108 4.068 3.960 0.000 0.000 0.638 356 G HA3 0.108 4.068 3.960 0.000 0.000 0.638 356 G C -0.470 174.400 174.900 -0.049 0.000 1.344 356 G CA -0.247 44.818 45.100 -0.058 0.000 0.855 356 G HN 1.655 nan 8.290 nan 0.000 0.537 357 N N -1.049 117.628 118.700 -0.037 0.000 2.458 357 N HA 0.412 5.152 4.740 0.000 0.000 0.258 357 N C 0.040 175.547 175.510 -0.005 0.000 1.219 357 N CA 0.620 53.657 53.050 -0.021 0.000 0.902 357 N CB 0.877 39.352 38.487 -0.021 0.000 1.076 357 N HN 0.964 nan 8.380 nan 0.000 0.455 358 V N 0.963 120.891 119.914 0.025 0.000 2.876 358 V HA 0.841 4.961 4.120 0.000 0.000 0.312 358 V C 0.545 176.771 176.094 0.219 0.000 1.085 358 V CA -0.759 61.576 62.300 0.060 0.000 0.945 358 V CB 1.756 33.549 31.823 -0.049 0.000 1.017 358 V HN 0.825 nan 8.190 nan 0.000 0.428 359 G N 1.132 110.067 108.800 0.226 0.000 2.619 359 G HA2 0.671 4.631 3.960 0.000 0.000 0.296 359 G HA3 0.671 4.631 3.960 0.000 0.000 0.296 359 G C -1.956 173.133 174.900 0.315 0.000 1.334 359 G CA -0.632 44.616 45.100 0.246 0.000 0.934 359 G HN 0.489 nan 8.290 nan 0.000 0.476 360 F N 1.934 121.937 119.950 0.088 0.000 2.410 360 F HA 0.625 5.152 4.527 -0.000 0.000 0.349 360 F C -0.136 175.657 175.800 -0.011 0.000 1.117 360 F CA -0.435 57.623 58.000 0.097 0.000 1.104 360 F CB 1.564 40.558 39.000 -0.011 0.000 1.122 360 F HN 0.265 nan 8.300 nan 0.000 0.483 361 V N 6.451 126.133 119.914 -0.386 0.000 2.581 361 V HA 0.600 4.720 4.120 0.000 0.000 0.303 361 V C -0.822 175.063 176.094 -0.349 0.000 1.041 361 V CA -0.863 61.297 62.300 -0.233 0.000 0.907 361 V CB 1.707 33.462 31.823 -0.113 0.000 0.994 361 V HN 0.545 nan 8.190 nan 0.000 0.442 362 V N 3.779 123.575 119.914 -0.196 0.000 2.524 362 V HA 0.418 4.538 4.120 0.000 0.000 0.297 362 V C -0.409 175.470 176.094 -0.358 0.000 1.035 362 V CA -0.641 61.465 62.300 -0.323 0.000 0.867 362 V CB 1.918 33.574 31.823 -0.278 0.000 1.004 362 V HN 0.892 nan 8.190 nan 0.000 0.426 363 N N 7.116 125.453 118.700 -0.605 0.000 2.609 363 N HA 0.350 5.090 4.740 0.000 0.000 0.234 363 N C -2.663 172.555 175.510 -0.487 0.000 1.001 363 N CA -1.611 51.075 53.050 -0.608 0.000 0.926 363 N CB 2.351 40.184 38.487 -1.089 0.000 1.130 363 N HN 0.335 nan 8.380 nan 0.000 0.510 364 P HA 0.104 nan 4.420 nan 0.000 0.275 364 P C 0.169 177.396 177.300 -0.122 0.000 1.228 364 P CA -0.127 62.835 63.100 -0.230 0.000 0.786 364 P CB 1.991 33.557 31.700 -0.222 0.000 0.927 365 K N 1.240 121.613 120.400 -0.045 0.000 2.214 365 K HA 0.094 4.414 4.320 0.000 0.000 0.201 365 K C 0.057 176.657 176.600 -0.001 0.000 1.049 365 K CA 0.885 57.156 56.287 -0.026 0.000 0.978 365 K CB 0.331 32.826 32.500 -0.010 0.000 0.842 365 K HN 0.407 nan 8.250 nan 0.000 0.474 366 T N 1.099 115.673 114.554 0.034 0.000 2.848 366 T HA 0.424 4.774 4.350 0.000 0.000 0.285 366 T C -1.399 173.328 174.700 0.044 0.000 0.995 366 T CA -0.647 61.462 62.100 0.015 0.000 0.970 366 T CB 2.176 71.034 68.868 -0.015 0.000 0.976 366 T HN -0.160 nan 8.240 nan 0.000 0.441 367 V N 4.771 124.690 119.914 0.008 0.000 2.419 367 V HA 0.411 4.531 4.120 0.000 0.000 0.287 367 V C -0.154 175.909 176.094 -0.051 0.000 1.017 367 V CA -1.160 61.146 62.300 0.010 0.000 0.844 367 V CB 1.378 33.207 31.823 0.010 0.000 1.011 367 V HN 0.768 nan 8.190 nan 0.000 0.429 368 N N 2.536 121.173 118.700 -0.104 0.000 2.379 368 N HA 0.326 5.066 4.740 0.000 0.000 0.260 368 N C 0.010 175.466 175.510 -0.090 0.000 1.254 368 N CA -0.546 52.439 53.050 -0.108 0.000 0.958 368 N CB 0.681 39.074 38.487 -0.157 0.000 1.208 368 N HN 0.645 nan 8.380 nan 0.000 0.532 369 Q N 0.801 120.555 119.800 -0.077 0.000 2.337 369 Q HA 0.102 4.442 4.340 0.000 0.000 0.270 369 Q C -0.218 175.739 176.000 -0.070 0.000 1.002 369 Q CA 0.129 55.897 55.803 -0.060 0.000 0.888 369 Q CB 0.258 28.968 28.738 -0.047 0.000 1.222 369 Q HN 0.435 nan 8.270 nan 0.000 0.400 370 N N -1.064 117.603 118.700 -0.054 0.000 2.776 370 N HA -0.172 4.568 4.740 0.000 0.000 0.249 370 N C -0.982 174.486 175.510 -0.070 0.000 1.111 370 N CA 0.923 53.943 53.050 -0.050 0.000 0.711 370 N CB -1.352 37.108 38.487 -0.045 0.000 1.065 370 N HN 0.697 nan 8.380 nan 0.000 0.556 371 A N 0.809 123.584 122.820 -0.075 0.000 2.407 371 A HA 0.629 4.949 4.320 0.000 0.000 0.248 371 A C 0.865 178.434 177.584 -0.025 0.000 1.082 371 A CA 0.166 52.165 52.037 -0.063 0.000 0.785 371 A CB 0.560 19.558 19.000 -0.004 0.000 1.020 371 A HN 0.460 nan 8.150 nan 0.000 0.489 372 R N 0.849 121.368 120.500 0.032 0.000 2.716 372 R HA 0.650 4.990 4.340 0.000 0.000 0.271 372 R C -2.021 174.343 176.300 0.106 0.000 1.028 372 R CA -0.931 55.180 56.100 0.018 0.000 0.883 372 R CB 1.043 31.366 30.300 0.038 0.000 1.250 372 R HN 0.443 nan 8.270 nan 0.000 0.465 373 L N 2.930 124.193 121.223 0.066 0.000 2.305 373 L HA 0.480 4.820 4.340 0.000 0.000 0.284 373 L C -0.398 176.556 176.870 0.140 0.000 1.013 373 L CA -0.860 54.048 54.840 0.114 0.000 0.819 373 L CB 1.465 43.584 42.059 0.100 0.000 1.227 373 L HN 0.462 nan 8.230 nan 0.000 0.417 377 Y N 0.345 120.678 120.300 0.055 0.000 2.524 377 Y HA 0.733 5.283 4.550 0.000 0.000 0.344 377 Y C 0.269 176.387 175.900 0.365 0.000 1.012 377 Y CA -1.040 57.271 58.100 0.352 0.000 1.068 377 Y CB 2.739 41.522 38.460 0.540 0.000 1.249 377 Y HN 0.561 nan 8.280 nan 0.000 0.468 378 E N 2.691 123.188 120.200 0.495 0.000 2.218 378 E HA 0.469 4.819 4.350 0.000 0.000 0.263 378 E C -1.927 174.781 176.600 0.180 0.000 0.879 378 E CA -0.664 55.853 56.400 0.195 0.000 0.762 378 E CB 1.290 31.141 29.700 0.251 0.000 1.166 378 E HN 0.583 nan 8.360 nan 0.000 0.415 379 Y N 1.823 122.087 120.300 -0.059 0.000 2.670 379 Y HA 0.646 5.196 4.550 0.000 0.000 0.334 379 Y C -1.953 173.874 175.900 -0.121 0.000 1.185 379 Y CA -1.476 56.493 58.100 -0.218 0.000 1.053 379 Y CB 0.719 38.885 38.460 -0.491 0.000 1.298 379 Y HN 0.212 nan 8.280 nan 0.000 0.459 380 F N 0.608 120.645 119.950 0.144 0.000 2.507 380 F HA 0.825 5.352 4.527 0.000 0.000 0.327 380 F C 0.250 176.072 175.800 0.038 0.000 1.068 380 F CA -0.859 57.174 58.000 0.055 0.000 0.965 380 F CB 2.135 41.114 39.000 -0.035 0.000 1.192 380 F HN 0.765 nan 8.300 nan 0.000 0.476 381 T N 0.516 115.187 114.554 0.195 0.000 2.893 381 T HA 0.352 4.702 4.350 0.000 0.000 0.337 381 T C -1.271 173.450 174.700 0.035 0.000 1.587 381 T CA -0.571 61.578 62.100 0.081 0.000 1.066 381 T CB 0.950 69.811 68.868 -0.011 0.000 1.414 381 T HN 0.477 nan 8.240 nan 0.000 0.488 382 S N 1.924 117.647 115.700 0.039 0.000 2.548 382 S HA 0.215 4.685 4.470 0.000 0.000 0.277 382 S C 1.571 176.185 174.600 0.023 0.000 1.315 382 S CA -0.668 57.543 58.200 0.018 0.000 1.050 382 S CB 0.932 64.148 63.200 0.028 0.000 0.918 382 S HN 0.730 nan 8.310 nan 0.000 0.497 383 R N 0.790 121.293 120.500 0.005 0.000 2.316 383 R HA 0.086 4.426 4.340 0.000 0.000 0.202 383 R C 0.799 177.115 176.300 0.027 0.000 1.029 383 R CA 1.115 57.219 56.100 0.006 0.000 1.018 383 R CB -0.780 29.525 30.300 0.009 0.000 0.888 383 R HN 0.613 nan 8.270 nan 0.000 0.471 384 T N 0.000 114.573 114.554 0.031 0.000 3.816 384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 384 T CA 0.000 62.121 62.100 0.035 0.000 1.349 384 T CB 0.000 68.885 68.868 0.028 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658