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 1vps_1_B DATA FIRST_RESID 32 DATA SEQUENCE GGMEVLDLVT GPDSVTEIEA FLNPRMGQPP TPESLTEGGQ YYGWSRGINL DATA SEQUENCE ATSDTEDSPG NNTLPTWSMA KLQLPMLNED LTCDTLQMWE AVSVKTEVVG DATA SEQUENCE SGSLLDVHGF NKPTDTVNTK GISTPVEGSQ YHVFAVGGEP LDLQGLVTDA DATA SEQUENCE RTKYKEEGVV TIKTITKKDM VNKDQVLNPI SKAKLDKDGM YPVEIWHPDP DATA SEQUENCE AKNENTRYFG NYTGGTTTPP VLQFTNTLTT VLLDENGVGP LCKGEGLYLS DATA SEQUENCE CVDIMGWRVT RNYDVHHWRG LPRYFKITLR KRWVKNPYP 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 32 G HA2 0.000 nan 3.960 nan 0.000 0.244 32 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 32 G C 0.000 174.872 174.900 -0.047 0.000 0.946 32 G CA 0.000 45.073 45.100 -0.045 0.000 0.502 33 G N 1.409 110.189 108.800 -0.032 0.000 2.778 33 G HA2 0.392 4.352 3.960 -0.000 0.000 0.287 33 G HA3 0.392 4.352 3.960 -0.000 0.000 0.287 33 G C 0.301 175.180 174.900 -0.035 0.000 0.747 33 G CA -0.251 44.833 45.100 -0.026 0.000 1.961 33 G HN 0.213 nan 8.290 nan 0.000 0.539 34 M N 2.172 121.745 119.600 -0.045 0.000 3.268 34 M HA 0.119 4.599 4.480 -0.000 0.000 0.249 34 M C 0.573 176.859 176.300 -0.024 0.000 1.527 34 M CA -0.195 55.076 55.300 -0.049 0.000 1.645 34 M CB -0.512 32.054 32.600 -0.057 0.000 1.193 34 M HN 0.502 nan 8.290 nan 0.000 0.534 35 E N 2.170 122.363 120.200 -0.012 0.000 2.130 35 E HA 0.322 4.672 4.350 -0.000 0.000 0.284 35 E C -1.254 175.356 176.600 0.016 0.000 1.018 35 E CA -0.545 55.856 56.400 0.002 0.000 0.817 35 E CB 0.909 30.611 29.700 0.004 0.000 1.078 35 E HN 0.365 nan 8.360 nan 0.000 0.396 36 V N 6.677 126.602 119.914 0.019 0.000 2.461 36 V HA 0.195 4.315 4.120 -0.000 0.000 0.275 36 V C 0.635 176.759 176.094 0.050 0.000 1.047 36 V CA -0.079 62.243 62.300 0.035 0.000 0.955 36 V CB 0.745 32.584 31.823 0.027 0.000 0.988 36 V HN 0.702 nan 8.190 nan 0.000 0.471 37 L N 2.258 123.533 121.223 0.087 0.000 2.790 37 L HA 0.612 4.952 4.340 -0.000 0.000 0.219 37 L C 0.097 177.043 176.870 0.126 0.000 2.006 37 L CA -1.029 53.869 54.840 0.096 0.000 2.500 37 L CB 0.384 42.508 42.059 0.108 0.000 2.732 37 L HN 0.402 nan 8.230 nan 0.000 0.605 38 D N 0.509 121.011 120.400 0.169 0.000 2.371 38 D HA 0.328 4.968 4.640 -0.000 0.000 0.242 38 D C -0.342 176.117 176.300 0.265 0.000 1.218 38 D CA -0.019 54.099 54.000 0.196 0.000 0.945 38 D CB 0.603 41.514 40.800 0.185 0.000 1.137 38 D HN 0.118 nan 8.370 nan 0.000 0.464 39 L N 0.837 122.164 121.223 0.173 0.000 2.326 39 L HA 0.211 4.551 4.340 -0.000 0.000 0.278 39 L C 0.007 176.940 176.870 0.105 0.000 1.092 39 L CA -0.868 54.025 54.840 0.088 0.000 0.810 39 L CB 1.068 43.160 42.059 0.056 0.000 1.153 39 L HN -0.001 nan 8.230 nan 0.000 0.439 40 V N 2.262 122.104 119.914 -0.119 0.000 2.572 40 V HA 0.151 4.271 4.120 -0.000 0.000 0.291 40 V C 0.739 176.810 176.094 -0.039 0.000 1.039 40 V CA -0.173 62.011 62.300 -0.194 0.000 1.055 40 V CB 1.084 32.539 31.823 -0.613 0.000 0.969 40 V HN 0.954 nan 8.190 nan 0.000 0.482 41 T N 1.456 116.045 114.554 0.059 0.000 2.949 41 T HA 0.915 5.265 4.350 -0.000 0.000 0.287 41 T C 0.122 174.841 174.700 0.032 0.000 1.034 41 T CA -0.039 62.088 62.100 0.045 0.000 1.018 41 T CB 1.837 70.748 68.868 0.071 0.000 1.135 41 T HN 1.810 nan 8.240 nan 0.000 0.532 42 G N 0.756 109.572 108.800 0.027 0.000 2.498 42 G HA2 0.153 4.113 3.960 -0.000 0.000 0.651 42 G HA3 0.153 4.113 3.960 -0.000 0.000 0.651 42 G C -3.143 171.766 174.900 0.015 0.000 1.284 42 G CA -1.038 44.076 45.100 0.024 0.000 0.950 42 G HN 0.840 nan 8.290 nan 0.000 0.511 43 P HA 0.336 nan 4.420 nan 0.000 0.264 43 P C -0.242 177.071 177.300 0.020 0.000 1.193 43 P CA 1.027 64.139 63.100 0.021 0.000 0.763 43 P CB 0.303 32.015 31.700 0.020 0.000 0.810 44 D N 0.898 121.322 120.400 0.040 0.000 2.981 44 D HA -0.146 4.494 4.640 -0.000 0.000 0.223 44 D C 0.775 177.123 176.300 0.081 0.000 1.151 44 D CA 1.512 55.556 54.000 0.072 0.000 0.827 44 D CB -1.686 39.157 40.800 0.072 0.000 1.101 44 D HN 0.517 nan 8.370 nan 0.000 0.426 45 S N -1.902 113.819 115.700 0.035 0.000 2.527 45 S HA 0.218 4.688 4.470 -0.000 0.000 0.222 45 S C 0.834 175.490 174.600 0.094 0.000 0.985 45 S CA 0.054 58.239 58.200 -0.025 0.000 0.921 45 S CB 0.883 64.048 63.200 -0.057 0.000 0.772 45 S HN 0.160 nan 8.310 nan 0.000 0.529 46 V N 0.589 120.605 119.914 0.171 0.000 2.735 46 V HA 0.749 4.869 4.120 -0.000 0.000 0.310 46 V C -0.230 175.981 176.094 0.195 0.000 1.061 46 V CA -0.439 61.988 62.300 0.212 0.000 0.913 46 V CB 1.886 33.776 31.823 0.113 0.000 1.005 46 V HN 0.365 nan 8.190 nan 0.000 0.428 47 T N 2.618 117.247 114.554 0.126 0.000 2.816 47 T HA 0.553 4.903 4.350 -0.000 0.000 0.299 47 T C -1.710 172.937 174.700 -0.087 0.000 1.230 47 T CA -0.449 61.632 62.100 -0.031 0.000 1.007 47 T CB 2.123 70.869 68.868 -0.203 0.000 1.289 47 T HN 0.765 nan 8.240 nan 0.000 0.508 48 E N 1.720 121.862 120.200 -0.096 0.000 2.256 48 E HA 0.499 4.849 4.350 -0.000 0.000 0.268 48 E C -1.047 175.487 176.600 -0.109 0.000 0.877 48 E CA -0.754 55.599 56.400 -0.080 0.000 0.757 48 E CB 1.398 31.084 29.700 -0.024 0.000 1.183 48 E HN 0.371 nan 8.360 nan 0.000 0.418 49 I N 2.490 122.986 120.570 -0.124 0.000 2.474 49 I HA 0.373 4.543 4.170 -0.000 0.000 0.294 49 I C -0.032 176.021 176.117 -0.107 0.000 1.005 49 I CA -0.431 60.787 61.300 -0.136 0.000 1.113 49 I CB 1.699 39.586 38.000 -0.189 0.000 1.289 49 I HN 0.545 nan 8.210 nan 0.000 0.436 50 E N 3.411 123.557 120.200 -0.090 0.000 2.288 50 E HA 0.853 5.203 4.350 -0.000 0.000 0.268 50 E C -1.211 175.337 176.600 -0.086 0.000 0.885 50 E CA -0.822 55.523 56.400 -0.092 0.000 0.767 50 E CB 3.171 32.891 29.700 0.032 0.000 1.220 50 E HN 0.760 nan 8.360 nan 0.000 0.427 51 A N 1.725 124.482 122.820 -0.104 0.000 2.597 51 A HA 0.621 4.941 4.320 -0.000 0.000 0.292 51 A C -1.902 175.752 177.584 0.117 0.000 1.057 51 A CA -0.867 51.132 52.037 -0.064 0.000 0.674 51 A CB 0.736 19.617 19.000 -0.198 0.000 1.278 51 A HN 0.532 nan 8.150 nan 0.000 0.416 52 F N -0.381 119.628 119.950 0.098 0.000 2.551 52 F HA 0.879 5.406 4.527 -0.000 0.000 0.316 52 F C -1.486 174.403 175.800 0.149 0.000 1.089 52 F CA -1.419 56.689 58.000 0.180 0.000 0.915 52 F CB 1.262 40.371 39.000 0.182 0.000 1.186 52 F HN 0.269 nan 8.300 nan 0.000 0.456 53 L N 4.124 125.559 121.223 0.355 0.000 2.325 53 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 53 L C -0.381 176.656 176.870 0.279 0.000 1.004 53 L CA -0.557 54.417 54.840 0.224 0.000 0.823 53 L CB 1.259 43.461 42.059 0.238 0.000 1.236 53 L HN 0.622 nan 8.230 nan 0.000 0.415 54 N N 4.439 123.293 118.700 0.256 0.000 2.525 54 N HA 0.320 5.060 4.740 -0.000 0.000 0.271 54 N C -2.354 173.237 175.510 0.136 0.000 1.194 54 N CA -1.149 52.024 53.050 0.204 0.000 0.964 54 N CB 0.875 39.505 38.487 0.238 0.000 1.126 54 N HN 0.329 nan 8.380 nan 0.000 0.452 55 P HA 0.145 nan 4.420 nan 0.000 0.272 55 P C -0.611 176.739 177.300 0.083 0.000 1.223 55 P CA -0.165 62.956 63.100 0.035 0.000 0.784 55 P CB 0.810 32.478 31.700 -0.053 0.000 0.923 56 R N 3.059 123.611 120.500 0.086 0.000 2.587 56 R HA 0.289 4.629 4.340 -0.000 0.000 0.283 56 R C 0.831 177.181 176.300 0.084 0.000 1.472 56 R CA -0.577 55.599 56.100 0.128 0.000 1.578 56 R CB 0.484 30.866 30.300 0.137 0.000 1.130 56 R HN 0.472 nan 8.270 nan 0.000 0.602 57 M N -0.839 118.824 119.600 0.104 0.000 2.558 57 M HA 0.157 4.637 4.480 -0.000 0.000 0.255 57 M C 1.121 177.525 176.300 0.174 0.000 1.113 57 M CA 0.861 56.221 55.300 0.100 0.000 1.097 57 M CB 0.150 32.844 32.600 0.158 0.000 1.426 57 M HN 0.654 nan 8.290 nan 0.000 0.488 58 G N -0.532 108.390 108.800 0.203 0.000 4.077 58 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.199 58 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.199 58 G C 0.078 175.108 174.900 0.217 0.000 1.302 58 G CA -0.543 44.680 45.100 0.206 0.000 0.918 58 G HN 0.365 nan 8.290 nan 0.000 0.369 59 Q N 3.131 123.104 119.800 0.288 0.000 2.295 59 Q HA 0.590 4.930 4.340 -0.000 0.000 0.259 59 Q C -2.357 173.806 176.000 0.270 0.000 0.976 59 Q CA -1.732 54.244 55.803 0.287 0.000 0.923 59 Q CB 1.184 30.162 28.738 0.400 0.000 1.185 59 Q HN 0.299 nan 8.270 nan 0.000 0.410 60 P HA 0.108 nan 4.420 nan 0.000 0.273 60 P C -2.166 175.014 177.300 -0.200 0.000 1.250 60 P CA -1.086 62.037 63.100 0.039 0.000 0.793 60 P CB 0.324 32.036 31.700 0.020 0.000 1.011 61 P HA -0.088 nan 4.420 nan 0.000 0.219 61 P C 0.196 177.205 177.300 -0.485 0.000 1.146 61 P CA 1.581 64.095 63.100 -0.977 0.000 0.808 61 P CB -0.141 31.247 31.700 -0.520 0.000 0.779 62 T N -4.783 109.641 114.554 -0.218 0.000 2.908 62 T HA 0.549 4.899 4.350 -0.000 0.000 0.290 62 T C -2.883 171.797 174.700 -0.034 0.000 1.034 62 T CA -2.581 59.460 62.100 -0.098 0.000 1.010 62 T CB 1.488 70.321 68.868 -0.058 0.000 1.068 62 T HN -0.216 nan 8.240 nan 0.000 0.481 63 P HA 0.216 nan 4.420 nan 0.000 0.269 63 P C 0.252 177.553 177.300 0.002 0.000 1.209 63 P CA -0.147 62.956 63.100 0.006 0.000 0.776 63 P CB 1.026 32.744 31.700 0.029 0.000 0.876 64 E N 0.325 120.524 120.200 -0.001 0.000 2.285 64 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 64 E C 0.888 177.507 176.600 0.031 0.000 0.997 64 E CA 0.278 56.684 56.400 0.011 0.000 0.845 64 E CB -0.020 29.687 29.700 0.011 0.000 0.782 64 E HN 0.435 nan 8.360 nan 0.000 0.491 65 S N 0.807 116.522 115.700 0.026 0.000 2.563 65 S HA -0.053 4.417 4.470 -0.000 0.000 0.294 65 S C 0.919 175.532 174.600 0.022 0.000 1.279 65 S CA -0.233 57.981 58.200 0.023 0.000 1.069 65 S CB 0.355 63.568 63.200 0.021 0.000 0.828 65 S HN 0.198 nan 8.310 nan 0.000 0.497 66 L N 4.279 125.506 121.223 0.007 0.000 2.610 66 L HA 0.071 4.411 4.340 -0.000 0.000 0.232 66 L C 1.971 178.815 176.870 -0.043 0.000 1.149 66 L CA 0.837 55.666 54.840 -0.019 0.000 0.872 66 L CB -0.597 41.450 42.059 -0.022 0.000 0.992 66 L HN 0.920 nan 8.230 nan 0.000 0.447 67 T N -6.575 107.970 114.554 -0.014 0.000 3.004 67 T HA 0.133 4.483 4.350 -0.000 0.000 0.266 67 T C 1.132 175.848 174.700 0.027 0.000 0.986 67 T CA -0.271 61.823 62.100 -0.009 0.000 0.902 67 T CB 0.283 69.147 68.868 -0.007 0.000 1.118 67 T HN 0.209 nan 8.240 nan 0.000 0.522 68 E N 0.679 120.904 120.200 0.042 0.000 2.501 68 E HA 0.453 4.803 4.350 -0.000 0.000 0.201 68 E C 1.367 178.037 176.600 0.117 0.000 1.016 68 E CA 0.200 56.641 56.400 0.069 0.000 0.920 68 E CB 0.640 30.370 29.700 0.050 0.000 1.023 68 E HN 0.626 nan 8.360 nan 0.000 0.474 69 G N 0.232 109.123 108.800 0.152 0.000 2.624 69 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.190 69 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.190 69 G C 1.129 176.182 174.900 0.256 0.000 1.008 69 G CA -0.230 45.044 45.100 0.290 0.000 0.731 69 G HN 0.354 nan 8.290 nan 0.000 0.478 70 G N 1.215 110.093 108.800 0.129 0.000 2.470 70 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.220 70 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.220 70 G C 1.655 176.630 174.900 0.125 0.000 1.121 70 G CA 1.778 46.956 45.100 0.129 0.000 0.766 70 G HN 0.814 nan 8.290 nan 0.000 0.553 71 Q N -0.075 119.696 119.800 -0.048 0.000 2.437 71 Q HA -0.104 4.236 4.340 -0.000 0.000 0.210 71 Q C 1.112 176.953 176.000 -0.265 0.000 0.972 71 Q CA 0.910 56.588 55.803 -0.209 0.000 0.903 71 Q CB -0.463 28.034 28.738 -0.403 0.000 0.967 71 Q HN 0.608 nan 8.270 nan 0.000 0.486 72 Y N -0.753 119.645 120.300 0.164 0.000 2.457 72 Y HA 0.161 4.711 4.550 -0.000 0.000 0.263 72 Y C 0.288 176.484 175.900 0.493 0.000 1.164 72 Y CA -1.080 57.162 58.100 0.237 0.000 1.274 72 Y CB -0.011 38.572 38.460 0.205 0.000 1.097 72 Y HN 0.034 nan 8.280 nan 0.000 0.523 73 Y N 1.746 122.272 120.300 0.377 0.000 2.650 73 Y HA 0.374 4.924 4.550 -0.000 0.000 0.331 73 Y C 1.204 177.292 175.900 0.312 0.000 1.165 73 Y CA 0.523 58.804 58.100 0.301 0.000 1.473 73 Y CB 0.315 38.890 38.460 0.192 0.000 1.224 73 Y HN 0.390 nan 8.280 nan 0.000 0.533 74 G N 3.148 111.932 108.800 -0.026 0.000 2.201 74 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.212 74 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.212 74 G C -0.512 174.212 174.900 -0.292 0.000 0.994 74 G CA -0.128 44.782 45.100 -0.317 0.000 0.644 74 G HN 0.588 nan 8.290 nan 0.000 0.508 75 W N 0.673 122.080 121.300 0.180 0.000 3.017 75 W HA 0.751 5.411 4.660 -0.000 0.000 0.341 75 W C 0.645 177.369 176.519 0.341 0.000 1.180 75 W CA -0.254 57.256 57.345 0.275 0.000 1.097 75 W CB 0.786 30.426 29.460 0.301 0.000 1.468 75 W HN 0.509 nan 8.180 nan 0.000 0.584 76 S N 0.802 116.916 115.700 0.690 0.000 2.730 76 S HA 0.679 5.149 4.470 -0.000 0.000 0.284 76 S C 0.058 174.958 174.600 0.500 0.000 1.153 76 S CA -0.869 57.653 58.200 0.536 0.000 0.995 76 S CB 1.141 64.726 63.200 0.641 0.000 1.058 76 S HN 0.330 nan 8.310 nan 0.000 0.552 77 R N 0.035 120.691 120.500 0.261 0.000 2.541 77 R HA 0.462 4.802 4.340 -0.000 0.000 0.263 77 R C 0.874 177.086 176.300 -0.148 0.000 1.112 77 R CA -0.248 55.877 56.100 0.041 0.000 1.170 77 R CB -0.313 29.957 30.300 -0.051 0.000 1.167 77 R HN 0.954 nan 8.270 nan 0.000 0.582 78 G N 1.334 109.882 108.800 -0.419 0.000 2.202 78 G HA2 0.017 3.977 3.960 -0.000 0.000 0.251 78 G HA3 0.017 3.977 3.960 -0.000 0.000 0.251 78 G C 0.431 175.191 174.900 -0.234 0.000 1.219 78 G CA -0.249 44.520 45.100 -0.552 0.000 0.943 78 G HN 0.433 nan 8.290 nan 0.000 0.465 79 I N 3.061 123.503 120.570 -0.214 0.000 2.662 79 I HA -0.037 4.133 4.170 -0.000 0.000 0.285 79 I C 0.600 176.655 176.117 -0.103 0.000 1.161 79 I CA -0.127 61.109 61.300 -0.106 0.000 1.415 79 I CB 0.142 38.033 38.000 -0.180 0.000 1.385 79 I HN 0.594 nan 8.210 nan 0.000 0.552 80 N N 8.437 127.107 118.700 -0.050 0.000 2.430 80 N HA 0.423 5.163 4.740 -0.000 0.000 0.292 80 N C -1.026 174.453 175.510 -0.052 0.000 1.051 80 N CA -0.638 52.383 53.050 -0.048 0.000 0.917 80 N CB 1.974 40.446 38.487 -0.025 0.000 1.164 80 N HN 0.434 nan 8.380 nan 0.000 0.484 81 L N 0.854 122.036 121.223 -0.068 0.000 2.375 81 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 81 L C 1.076 177.909 176.870 -0.061 0.000 1.058 81 L CA -1.278 53.517 54.840 -0.074 0.000 0.803 81 L CB 1.039 43.039 42.059 -0.098 0.000 1.212 81 L HN 0.617 nan 8.230 nan 0.000 0.451 82 A N 0.439 123.222 122.820 -0.063 0.000 2.507 82 A HA 0.248 4.568 4.320 -0.000 0.000 0.235 82 A C 1.063 178.614 177.584 -0.056 0.000 1.070 82 A CA 0.325 52.326 52.037 -0.060 0.000 0.768 82 A CB 0.102 19.065 19.000 -0.063 0.000 1.011 82 A HN 0.902 nan 8.150 nan 0.000 0.502 83 T N -1.594 112.930 114.554 -0.050 0.000 3.065 83 T HA 0.366 4.716 4.350 -0.000 0.000 0.252 83 T C 0.591 175.264 174.700 -0.044 0.000 1.099 83 T CA 0.664 62.736 62.100 -0.046 0.000 1.063 83 T CB -0.549 68.296 68.868 -0.038 0.000 0.948 83 T HN 1.772 nan 8.240 nan 0.000 0.506 84 S N -0.037 115.636 115.700 -0.045 0.000 2.655 84 S HA 0.323 4.793 4.470 -0.000 0.000 0.266 84 S C -0.113 174.461 174.600 -0.043 0.000 1.149 84 S CA -0.209 57.967 58.200 -0.041 0.000 0.818 84 S CB 0.954 64.132 63.200 -0.036 0.000 1.130 84 S HN -0.001 nan 8.310 nan 0.000 0.476 85 D N 0.533 120.910 120.400 -0.039 0.000 2.309 85 D HA -0.024 4.616 4.640 -0.000 0.000 0.212 85 D C 1.434 177.710 176.300 -0.040 0.000 0.968 85 D CA 1.996 55.973 54.000 -0.038 0.000 0.882 85 D CB 0.032 40.813 40.800 -0.032 0.000 0.918 85 D HN 0.716 nan 8.370 nan 0.000 0.503 86 T N -3.641 110.889 114.554 -0.039 0.000 3.084 86 T HA 0.240 4.590 4.350 -0.000 0.000 0.270 86 T C 0.175 174.848 174.700 -0.046 0.000 1.008 86 T CA -0.530 61.546 62.100 -0.040 0.000 0.900 86 T CB 0.416 69.265 68.868 -0.032 0.000 1.084 86 T HN -0.136 nan 8.240 nan 0.000 0.538 87 E N 2.226 122.396 120.200 -0.049 0.000 2.675 87 E HA 0.326 4.676 4.350 -0.000 0.000 0.236 87 E C -1.605 174.958 176.600 -0.063 0.000 1.059 87 E CA -0.218 56.151 56.400 -0.052 0.000 0.775 87 E CB 1.294 30.969 29.700 -0.041 0.000 1.356 87 E HN 0.331 nan 8.360 nan 0.000 0.403 88 D N 0.737 121.086 120.400 -0.084 0.000 2.454 88 D HA 0.227 4.867 4.640 -0.000 0.000 0.247 88 D C -1.003 175.220 176.300 -0.129 0.000 1.129 88 D CA -0.497 53.442 54.000 -0.102 0.000 0.877 88 D CB 0.744 41.473 40.800 -0.119 0.000 1.082 88 D HN -0.137 nan 8.370 nan 0.000 0.537 89 S N 5.435 121.081 115.700 -0.090 0.000 2.269 89 S HA 0.365 4.835 4.470 -0.000 0.000 0.194 89 S C -2.419 172.159 174.600 -0.037 0.000 1.547 89 S CA -1.017 57.138 58.200 -0.075 0.000 1.186 89 S CB 1.081 64.256 63.200 -0.043 0.000 1.069 89 S HN 0.443 nan 8.310 nan 0.000 0.473 90 P HA 0.200 nan 4.420 nan 0.000 0.271 90 P C 0.424 177.770 177.300 0.078 0.000 1.216 90 P CA -0.055 63.069 63.100 0.040 0.000 0.776 90 P CB 0.575 32.328 31.700 0.087 0.000 0.881 91 G N 2.530 111.374 108.800 0.073 0.000 2.483 91 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.248 91 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.248 91 G C 1.008 175.973 174.900 0.108 0.000 1.248 91 G CA -0.405 44.740 45.100 0.076 0.000 0.838 91 G HN 0.410 nan 8.290 nan 0.000 0.566 92 N N 1.258 120.018 118.700 0.099 0.000 2.104 92 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 92 N C 1.921 177.498 175.510 0.111 0.000 1.024 92 N CA 1.527 54.639 53.050 0.104 0.000 0.853 92 N CB -0.145 38.390 38.487 0.080 0.000 1.008 92 N HN 0.715 nan 8.380 nan 0.000 0.424 93 N N -0.117 118.647 118.700 0.106 0.000 2.501 93 N HA -0.044 4.696 4.740 -0.000 0.000 0.195 93 N C 0.717 176.326 175.510 0.164 0.000 1.213 93 N CA 0.775 53.901 53.050 0.126 0.000 0.864 93 N CB -0.607 37.943 38.487 0.106 0.000 0.999 93 N HN 0.272 nan 8.380 nan 0.000 0.454 94 T N -3.473 111.187 114.554 0.176 0.000 3.044 94 T HA 0.305 4.655 4.350 -0.000 0.000 0.260 94 T C 0.190 175.084 174.700 0.323 0.000 1.019 94 T CA -0.461 61.792 62.100 0.255 0.000 0.921 94 T CB -0.151 68.830 68.868 0.189 0.000 1.053 94 T HN 0.064 nan 8.240 nan 0.000 0.533 95 L N 2.453 123.795 121.223 0.198 0.000 2.294 95 L HA 0.516 4.856 4.340 -0.000 0.000 0.283 95 L C -2.751 174.114 176.870 -0.010 0.000 1.015 95 L CA -2.511 52.394 54.840 0.109 0.000 0.831 95 L CB 1.576 43.703 42.059 0.113 0.000 1.217 95 L HN -0.106 nan 8.230 nan 0.000 0.420 96 P HA 0.123 nan 4.420 nan 0.000 0.268 96 P C -0.454 176.762 177.300 -0.140 0.000 1.205 96 P CA -0.062 62.896 63.100 -0.236 0.000 0.771 96 P CB 0.926 32.297 31.700 -0.548 0.000 0.858 97 T N -1.019 113.511 114.554 -0.040 0.000 2.930 97 T HA 0.479 4.829 4.350 -0.000 0.000 0.290 97 T C -0.840 173.915 174.700 0.092 0.000 1.052 97 T CA -0.952 61.187 62.100 0.066 0.000 1.017 97 T CB 0.579 69.537 68.868 0.150 0.000 1.137 97 T HN 0.158 nan 8.240 nan 0.000 0.511 98 W N 1.413 122.776 121.300 0.105 0.000 2.181 98 W HA 0.452 5.112 4.660 0.000 0.000 0.335 98 W C 0.571 177.141 176.519 0.086 0.000 1.310 98 W CA 0.090 57.489 57.345 0.090 0.000 1.226 98 W CB 0.508 30.002 29.460 0.057 0.000 1.155 98 W HN 0.584 nan 8.180 nan 0.000 0.565 99 S N 3.715 119.631 115.700 0.360 0.000 2.541 99 S HA 0.740 5.210 4.470 -0.000 0.000 0.283 99 S C -0.341 174.402 174.600 0.239 0.000 1.196 99 S CA -0.788 57.561 58.200 0.249 0.000 1.062 99 S CB 1.001 64.328 63.200 0.211 0.000 1.009 99 S HN 0.383 nan 8.310 nan 0.000 0.502 100 M N 1.115 120.797 119.600 0.135 0.000 2.603 100 M HA 0.914 5.394 4.480 -0.000 0.000 0.275 100 M C -1.635 174.659 176.300 -0.011 0.000 1.226 100 M CA -0.820 54.516 55.300 0.061 0.000 0.870 100 M CB 1.243 33.868 32.600 0.042 0.000 1.716 100 M HN 0.571 nan 8.290 nan 0.000 0.482 101 A N 1.366 124.137 122.820 -0.082 0.000 2.547 101 A HA 0.808 5.128 4.320 -0.000 0.000 0.297 101 A C -1.802 175.632 177.584 -0.249 0.000 1.056 101 A CA -0.808 51.136 52.037 -0.155 0.000 0.688 101 A CB 1.694 20.575 19.000 -0.199 0.000 1.282 101 A HN 1.000 nan 8.150 nan 0.000 0.400 102 K N 2.880 123.088 120.400 -0.320 0.000 2.394 102 K HA 0.672 4.992 4.320 -0.000 0.000 0.260 102 K C -1.548 174.819 176.600 -0.388 0.000 0.967 102 K CA -0.414 55.536 56.287 -0.563 0.000 0.855 102 K CB 0.644 32.745 32.500 -0.666 0.000 1.101 102 K HN 0.683 nan 8.250 nan 0.000 0.433 103 L N 3.708 124.708 121.223 -0.372 0.000 2.309 103 L HA 0.329 4.669 4.340 -0.000 0.000 0.282 103 L C 0.100 176.824 176.870 -0.243 0.000 1.036 103 L CA -1.150 53.527 54.840 -0.273 0.000 0.806 103 L CB 1.698 43.603 42.059 -0.256 0.000 1.220 103 L HN 0.510 nan 8.230 nan 0.000 0.429 104 Q N 3.592 123.278 119.800 -0.189 0.000 2.286 104 Q HA 0.466 4.806 4.340 -0.000 0.000 0.257 104 Q C -0.552 175.350 176.000 -0.164 0.000 0.941 104 Q CA -0.008 55.706 55.803 -0.149 0.000 0.912 104 Q CB 1.732 30.407 28.738 -0.106 0.000 1.192 104 Q HN 0.489 nan 8.270 nan 0.000 0.410 105 L N 4.225 125.355 121.223 -0.154 0.000 2.352 105 L HA 0.484 4.824 4.340 -0.000 0.000 0.269 105 L C -1.860 174.977 176.870 -0.055 0.000 1.034 105 L CA -2.122 52.574 54.840 -0.241 0.000 0.806 105 L CB 1.095 42.928 42.059 -0.378 0.000 1.244 105 L HN 0.394 nan 8.230 nan 0.000 0.447 106 P HA 0.036 nan 4.420 nan 0.000 0.268 106 P C -0.560 176.931 177.300 0.317 0.000 1.204 106 P CA -0.222 62.976 63.100 0.163 0.000 0.768 106 P CB 0.801 32.623 31.700 0.204 0.000 0.842 107 M N 3.329 123.028 119.600 0.165 0.000 2.248 107 M HA 0.040 4.520 4.480 -0.000 0.000 0.337 107 M C 0.479 176.828 176.300 0.081 0.000 1.121 107 M CA 0.580 55.953 55.300 0.122 0.000 1.155 107 M CB 0.253 32.886 32.600 0.054 0.000 1.514 107 M HN 0.326 nan 8.290 nan 0.000 0.452 108 L N 1.648 122.876 121.223 0.008 0.000 2.638 108 L HA 0.258 4.598 4.340 -0.000 0.000 0.195 108 L C 0.193 177.014 176.870 -0.082 0.000 1.065 108 L CA -0.169 54.612 54.840 -0.098 0.000 0.859 108 L CB -0.089 41.814 42.059 -0.260 0.000 1.269 108 L HN 0.597 nan 8.230 nan 0.000 0.484 109 N N 1.856 120.520 118.700 -0.061 0.000 2.457 109 N HA 0.082 4.822 4.740 -0.000 0.000 0.250 109 N C 0.438 175.918 175.510 -0.049 0.000 0.982 109 N CA -0.061 52.960 53.050 -0.049 0.000 0.941 109 N CB 1.711 40.173 38.487 -0.042 0.000 1.120 109 N HN 0.348 nan 8.380 nan 0.000 0.505 110 E N 0.031 120.209 120.200 -0.036 0.000 2.158 110 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 110 E C -0.420 176.151 176.600 -0.048 0.000 0.982 110 E CA 0.697 57.076 56.400 -0.035 0.000 0.823 110 E CB 0.323 30.010 29.700 -0.020 0.000 0.766 110 E HN 0.263 nan 8.360 nan 0.000 0.468 111 D N 0.349 120.722 120.400 -0.045 0.000 2.492 111 D HA 0.204 4.844 4.640 -0.000 0.000 0.248 111 D C 0.262 176.518 176.300 -0.074 0.000 1.101 111 D CA -0.526 53.443 54.000 -0.052 0.000 0.840 111 D CB 1.705 42.490 40.800 -0.024 0.000 1.209 111 D HN 0.060 nan 8.370 nan 0.000 0.524 112 L N 2.570 123.712 121.223 -0.135 0.000 2.591 112 L HA 0.052 4.392 4.340 -0.000 0.000 0.228 112 L C 1.932 178.757 176.870 -0.075 0.000 1.133 112 L CA 0.457 55.168 54.840 -0.215 0.000 0.880 112 L CB -0.100 41.656 42.059 -0.506 0.000 1.033 112 L HN 0.441 nan 8.230 nan 0.000 0.450 113 T N -4.548 109.986 114.554 -0.032 0.000 3.100 113 T HA 0.053 4.403 4.350 -0.000 0.000 0.253 113 T C 0.849 175.567 174.700 0.030 0.000 1.118 113 T CA -0.356 61.749 62.100 0.008 0.000 1.058 113 T CB -0.658 68.209 68.868 -0.001 0.000 0.953 113 T HN 0.150 nan 8.240 nan 0.000 0.515 114 C N 3.205 122.526 119.300 0.036 0.000 2.642 114 C HA 0.168 4.628 4.460 -0.000 0.000 0.420 114 C C 2.069 177.100 174.990 0.068 0.000 1.349 114 C CA -0.110 58.938 59.018 0.050 0.000 1.821 114 C CB -0.007 27.771 27.740 0.063 0.000 2.637 114 C HN 0.642 nan 8.230 nan 0.000 0.605 115 D N 1.130 121.559 120.400 0.049 0.000 2.123 115 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 115 D C 0.542 176.880 176.300 0.062 0.000 0.992 115 D CA 1.473 55.499 54.000 0.044 0.000 0.833 115 D CB 0.257 41.067 40.800 0.017 0.000 0.954 115 D HN 0.666 nan 8.370 nan 0.000 0.455 116 T N 0.088 114.687 114.554 0.075 0.000 2.824 116 T HA 0.588 4.938 4.350 -0.000 0.000 0.282 116 T C -0.384 174.450 174.700 0.223 0.000 0.993 116 T CA -0.702 61.472 62.100 0.124 0.000 0.967 116 T CB 1.683 70.578 68.868 0.044 0.000 0.960 116 T HN -0.015 nan 8.240 nan 0.000 0.441 117 L N 1.772 123.147 121.223 0.253 0.000 2.230 117 L HA 0.601 4.941 4.340 -0.000 0.000 0.255 117 L C -0.164 176.791 176.870 0.141 0.000 1.039 117 L CA -1.246 53.722 54.840 0.214 0.000 0.846 117 L CB 1.767 43.937 42.059 0.186 0.000 1.419 117 L HN 0.420 nan 8.230 nan 0.000 0.435 118 Q N 0.933 120.687 119.800 -0.077 0.000 2.306 118 Q HA 0.715 5.055 4.340 -0.000 0.000 0.265 118 Q C -1.268 174.590 176.000 -0.236 0.000 1.022 118 Q CA -0.492 55.112 55.803 -0.332 0.000 0.853 118 Q CB 2.950 31.331 28.738 -0.594 0.000 1.327 118 Q HN 0.443 nan 8.270 nan 0.000 0.449 119 M N 1.023 120.460 119.600 -0.272 0.000 2.433 119 M HA 0.358 4.838 4.480 -0.000 0.000 0.290 119 M C -1.934 174.250 176.300 -0.193 0.000 1.173 119 M CA -0.438 54.766 55.300 -0.160 0.000 0.905 119 M CB 2.119 34.694 32.600 -0.041 0.000 1.692 119 M HN 0.621 nan 8.290 nan 0.000 0.462 120 W N 2.827 124.107 121.300 -0.033 0.000 2.253 120 W HA 0.269 4.929 4.660 -0.000 0.000 0.322 120 W C 0.193 176.701 176.519 -0.019 0.000 1.342 120 W CA 0.129 57.453 57.345 -0.034 0.000 1.218 120 W CB 0.430 29.875 29.460 -0.026 0.000 1.205 120 W HN 0.450 nan 8.180 nan 0.000 0.551 121 E N 2.663 123.042 120.200 0.298 0.000 2.199 121 E HA 0.560 4.910 4.350 -0.000 0.000 0.265 121 E C -0.988 175.713 176.600 0.168 0.000 0.882 121 E CA -0.860 55.642 56.400 0.171 0.000 0.759 121 E CB 1.274 31.035 29.700 0.101 0.000 1.148 121 E HN 0.469 nan 8.360 nan 0.000 0.412 122 A N 4.094 126.987 122.820 0.121 0.000 2.354 122 A HA 0.296 4.616 4.320 -0.000 0.000 0.281 122 A C 0.654 178.295 177.584 0.095 0.000 1.174 122 A CA -0.436 51.659 52.037 0.097 0.000 0.828 122 A CB 0.805 19.858 19.000 0.088 0.000 1.099 122 A HN 0.539 nan 8.150 nan 0.000 0.516 123 V N 2.299 122.267 119.914 0.089 0.000 2.492 123 V HA 0.091 4.211 4.120 -0.000 0.000 0.241 123 V C 1.135 177.278 176.094 0.082 0.000 1.041 123 V CA 1.760 64.108 62.300 0.081 0.000 1.057 123 V CB -0.667 31.200 31.823 0.073 0.000 0.711 123 V HN 1.084 nan 8.190 nan 0.000 0.468 124 S N -1.691 114.058 115.700 0.080 0.000 2.636 124 S HA 0.699 5.169 4.470 -0.000 0.000 0.268 124 S C -1.373 173.276 174.600 0.081 0.000 1.159 124 S CA -0.386 57.863 58.200 0.081 0.000 0.815 124 S CB 2.238 65.472 63.200 0.057 0.000 1.130 124 S HN 0.375 nan 8.310 nan 0.000 0.471 125 V N 0.392 120.351 119.914 0.075 0.000 2.851 125 V HA 0.625 4.745 4.120 -0.000 0.000 0.307 125 V C -1.814 174.275 176.094 -0.008 0.000 1.129 125 V CA -0.574 61.764 62.300 0.063 0.000 0.932 125 V CB 1.986 33.902 31.823 0.156 0.000 1.024 125 V HN 0.971 nan 8.190 nan 0.000 0.426 126 K N 3.583 123.972 120.400 -0.018 0.000 2.263 126 K HA 0.591 4.911 4.320 -0.000 0.000 0.272 126 K C -0.671 175.871 176.600 -0.097 0.000 1.033 126 K CA -0.215 56.053 56.287 -0.032 0.000 0.884 126 K CB 1.662 34.197 32.500 0.058 0.000 1.107 126 K HN 0.766 nan 8.250 nan 0.000 0.460 127 T N 2.120 116.518 114.554 -0.260 0.000 2.893 127 T HA 0.340 4.690 4.350 -0.000 0.000 0.291 127 T C -1.636 172.868 174.700 -0.327 0.000 1.028 127 T CA -0.606 61.219 62.100 -0.458 0.000 0.995 127 T CB 1.333 69.585 68.868 -1.026 0.000 1.051 127 T HN 0.677 nan 8.240 nan 0.000 0.470 128 E N 2.664 122.727 120.200 -0.229 0.000 2.335 128 E HA 0.524 4.874 4.350 -0.000 0.000 0.280 128 E C -1.678 174.841 176.600 -0.136 0.000 0.918 128 E CA -0.738 55.580 56.400 -0.137 0.000 0.765 128 E CB 1.938 31.617 29.700 -0.035 0.000 1.218 128 E HN 0.447 nan 8.360 nan 0.000 0.425 129 V N 4.112 123.945 119.914 -0.134 0.000 2.406 129 V HA 0.264 4.384 4.120 -0.000 0.000 0.272 129 V C -0.081 175.917 176.094 -0.161 0.000 1.043 129 V CA -0.515 61.715 62.300 -0.117 0.000 0.915 129 V CB 1.185 32.949 31.823 -0.097 0.000 0.988 129 V HN 0.460 nan 8.190 nan 0.000 0.466 130 V N 4.168 123.985 119.914 -0.163 0.000 2.472 130 V HA 0.801 4.921 4.120 -0.000 0.000 0.290 130 V C 1.070 177.012 176.094 -0.255 0.000 1.037 130 V CA 0.641 62.793 62.300 -0.247 0.000 0.908 130 V CB 0.988 32.692 31.823 -0.199 0.000 0.985 130 V HN 1.130 nan 8.190 nan 0.000 0.454 131 G N 3.267 111.864 108.800 -0.339 0.000 2.168 131 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.197 131 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.197 131 G C 1.039 175.794 174.900 -0.243 0.000 0.997 131 G CA 0.666 45.607 45.100 -0.265 0.000 0.658 131 G HN 1.084 nan 8.290 nan 0.000 0.513 132 S N -0.064 115.456 115.700 -0.299 0.000 2.419 132 S HA 0.072 4.542 4.470 -0.000 0.000 0.235 132 S C 2.471 177.003 174.600 -0.113 0.000 1.019 132 S CA 1.764 59.861 58.200 -0.172 0.000 0.982 132 S CB -0.649 62.482 63.200 -0.115 0.000 0.789 132 S HN 1.585 nan 8.310 nan 0.000 0.490 133 G N 1.878 110.585 108.800 -0.156 0.000 2.448 133 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 133 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 133 G C 1.663 176.537 174.900 -0.043 0.000 1.127 133 G CA 1.077 46.137 45.100 -0.066 0.000 0.766 133 G HN 0.815 nan 8.290 nan 0.000 0.552 134 S N 0.450 116.110 115.700 -0.066 0.000 2.474 134 S HA 0.058 4.528 4.470 -0.000 0.000 0.235 134 S C 2.120 176.717 174.600 -0.005 0.000 0.997 134 S CA 0.527 58.708 58.200 -0.031 0.000 0.949 134 S CB -0.294 62.879 63.200 -0.046 0.000 0.766 134 S HN 0.310 nan 8.310 nan 0.000 0.517 135 L N 0.469 121.684 121.223 -0.012 0.000 2.551 135 L HA 0.156 4.496 4.340 -0.000 0.000 0.228 135 L C 1.790 178.673 176.870 0.021 0.000 1.153 135 L CA 0.479 55.328 54.840 0.016 0.000 0.851 135 L CB -0.567 41.498 42.059 0.011 0.000 0.959 135 L HN 0.348 nan 8.230 nan 0.000 0.451 136 L N -0.541 120.691 121.223 0.015 0.000 2.610 136 L HA -0.018 4.322 4.340 -0.000 0.000 0.232 136 L C 0.709 177.586 176.870 0.013 0.000 1.149 136 L CA -0.002 54.851 54.840 0.023 0.000 0.872 136 L CB -0.331 41.747 42.059 0.032 0.000 0.992 136 L HN 0.157 nan 8.230 nan 0.000 0.447 137 D N 1.015 121.401 120.400 -0.023 0.000 2.344 137 D HA 0.084 4.724 4.640 -0.000 0.000 0.253 137 D C 0.553 176.742 176.300 -0.185 0.000 1.255 137 D CA 0.027 53.934 54.000 -0.155 0.000 0.894 137 D CB 1.213 41.889 40.800 -0.206 0.000 1.067 137 D HN 0.012 nan 8.370 nan 0.000 0.492 138 V N 2.103 121.930 119.914 -0.144 0.000 2.988 138 V HA 0.326 4.446 4.120 -0.000 0.000 0.356 138 V C 0.253 176.332 176.094 -0.026 0.000 1.380 138 V CA -0.148 62.111 62.300 -0.068 0.000 1.184 138 V CB -0.689 31.136 31.823 0.003 0.000 1.204 138 V HN 0.576 nan 8.190 nan 0.000 0.530 139 H N -1.297 117.796 119.070 0.038 0.000 2.672 139 H HA 0.706 5.262 4.556 -0.000 0.000 0.277 139 H C 0.973 176.333 175.328 0.054 0.000 1.074 139 H CA 0.125 56.196 56.048 0.039 0.000 1.173 139 H CB 0.070 29.850 29.762 0.031 0.000 1.558 139 H HN 0.422 nan 8.280 nan 0.000 0.539 140 G N -0.032 108.747 108.800 -0.034 0.000 2.504 140 G HA2 0.115 4.075 3.960 -0.000 0.000 0.257 140 G HA3 0.115 4.075 3.960 -0.000 0.000 0.257 140 G C -0.540 174.463 174.900 0.171 0.000 1.451 140 G CA -0.595 44.543 45.100 0.063 0.000 1.059 140 G HN 0.318 nan 8.290 nan 0.000 0.550 141 F N 0.910 120.827 119.950 -0.056 0.000 2.750 141 F HA 0.379 4.906 4.527 -0.000 0.000 0.297 141 F C 0.763 176.525 175.800 -0.063 0.000 1.138 141 F CA -1.216 56.754 58.000 -0.051 0.000 1.346 141 F CB -0.403 38.564 39.000 -0.054 0.000 0.965 141 F HN 0.083 nan 8.300 nan 0.000 0.514 142 N N 1.151 119.809 118.700 -0.070 0.000 2.294 142 N HA 0.006 4.746 4.740 -0.000 0.000 0.248 142 N C -0.033 175.366 175.510 -0.186 0.000 1.300 142 N CA -0.279 52.699 53.050 -0.121 0.000 0.925 142 N CB 0.285 38.724 38.487 -0.079 0.000 1.188 142 N HN 0.123 nan 8.380 nan 0.000 0.512 143 K N 1.900 122.207 120.400 -0.154 0.000 2.491 143 K HA 0.019 4.339 4.320 -0.000 0.000 0.279 143 K C -2.175 174.354 176.600 -0.119 0.000 1.026 143 K CA -0.770 55.428 56.287 -0.147 0.000 1.070 143 K CB 0.136 32.572 32.500 -0.107 0.000 0.887 143 K HN 0.332 nan 8.250 nan 0.000 0.481 144 P HA 0.021 nan 4.420 nan 0.000 0.276 144 P C 0.287 177.557 177.300 -0.051 0.000 1.244 144 P CA -0.313 62.738 63.100 -0.083 0.000 0.801 144 P CB 1.156 32.801 31.700 -0.092 0.000 1.006 145 T N -3.099 111.437 114.554 -0.031 0.000 2.995 145 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 145 T C 0.563 175.254 174.700 -0.015 0.000 1.091 145 T CA 0.823 62.913 62.100 -0.017 0.000 1.128 145 T CB -0.551 68.313 68.868 -0.006 0.000 0.891 145 T HN 0.339 nan 8.240 nan 0.000 0.492 146 D N 2.218 122.607 120.400 -0.018 0.000 2.473 146 D HA 0.233 4.873 4.640 -0.000 0.000 0.226 146 D C 1.248 177.534 176.300 -0.023 0.000 1.089 146 D CA -0.271 53.720 54.000 -0.015 0.000 0.883 146 D CB 1.308 42.102 40.800 -0.009 0.000 1.029 146 D HN 0.278 nan 8.370 nan 0.000 0.517 147 T N -0.368 114.173 114.554 -0.023 0.000 3.067 147 T HA -0.032 4.318 4.350 -0.000 0.000 0.261 147 T C 1.842 176.530 174.700 -0.020 0.000 1.110 147 T CA 0.369 62.453 62.100 -0.027 0.000 1.113 147 T CB 0.025 68.878 68.868 -0.024 0.000 0.917 147 T HN 0.147 nan 8.240 nan 0.000 0.499 148 V N 2.585 122.491 119.914 -0.013 0.000 2.379 148 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 148 V C 2.166 178.255 176.094 -0.009 0.000 1.044 148 V CA 1.500 63.794 62.300 -0.009 0.000 1.036 148 V CB -0.450 31.370 31.823 -0.005 0.000 0.664 148 V HN 0.558 nan 8.190 nan 0.000 0.453 149 N N -1.525 117.169 118.700 -0.010 0.000 2.220 149 N HA 0.040 4.780 4.740 -0.000 0.000 0.195 149 N C 0.248 175.752 175.510 -0.011 0.000 1.123 149 N CA 0.645 53.691 53.050 -0.007 0.000 0.874 149 N CB 0.853 39.339 38.487 -0.003 0.000 0.995 149 N HN 0.431 nan 8.380 nan 0.000 0.498 150 T N 1.268 115.809 114.554 -0.023 0.000 3.860 150 T HA -0.124 4.226 4.350 -0.000 0.000 0.378 150 T C -0.035 174.650 174.700 -0.025 0.000 0.761 150 T CA 1.038 63.115 62.100 -0.039 0.000 2.004 150 T CB -0.758 68.084 68.868 -0.044 0.000 1.778 150 T HN 0.222 nan 8.240 nan 0.000 0.801 151 K N -0.798 119.590 120.400 -0.019 0.000 2.054 151 K HA 0.838 5.158 4.320 -0.000 0.000 0.248 151 K C 1.146 177.742 176.600 -0.006 0.000 1.019 151 K CA -0.084 56.200 56.287 -0.005 0.000 0.855 151 K CB 0.913 33.414 32.500 0.002 0.000 1.473 151 K HN 0.577 nan 8.250 nan 0.000 0.483 152 G N 0.790 109.593 108.800 0.004 0.000 2.554 152 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.253 152 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.253 152 G C -0.310 174.598 174.900 0.013 0.000 1.172 152 G CA 0.101 45.205 45.100 0.006 0.000 0.950 152 G HN 0.731 nan 8.290 nan 0.000 0.557 153 I N -2.324 118.251 120.570 0.009 0.000 3.145 153 I HA 0.798 4.968 4.170 -0.000 0.000 0.313 153 I C 0.255 176.372 176.117 -0.000 0.000 1.122 153 I CA -0.497 60.813 61.300 0.017 0.000 0.987 153 I CB 2.167 40.180 38.000 0.022 0.000 1.236 153 I HN 0.745 nan 8.210 nan 0.000 0.453 154 S N 1.779 117.480 115.700 0.002 0.000 2.455 154 S HA 0.211 4.681 4.470 -0.000 0.000 0.278 154 S C 0.144 174.733 174.600 -0.019 0.000 1.216 154 S CA -0.276 57.911 58.200 -0.022 0.000 1.055 154 S CB -0.310 62.879 63.200 -0.019 0.000 0.939 154 S HN 0.661 nan 8.310 nan 0.000 0.494 155 T N 8.885 123.423 114.554 -0.025 0.000 2.822 155 T HA 0.129 4.479 4.350 -0.000 0.000 0.288 155 T C -1.949 172.758 174.700 0.012 0.000 0.991 155 T CA -0.454 61.642 62.100 -0.008 0.000 1.176 155 T CB 0.116 68.973 68.868 -0.018 0.000 0.951 155 T HN 0.591 nan 8.240 nan 0.000 0.526 156 P HA 0.197 nan 4.420 nan 0.000 0.274 156 P C -0.158 177.194 177.300 0.086 0.000 1.256 156 P CA -0.573 62.559 63.100 0.054 0.000 0.795 156 P CB 0.577 32.303 31.700 0.044 0.000 1.038 157 V N 1.536 121.524 119.914 0.123 0.000 2.617 157 V HA -0.014 4.106 4.120 -0.000 0.000 0.304 157 V C 0.871 177.034 176.094 0.115 0.000 1.040 157 V CA 1.130 63.524 62.300 0.155 0.000 1.149 157 V CB -0.878 31.041 31.823 0.159 0.000 0.914 157 V HN 0.595 nan 8.190 nan 0.000 0.487 158 E N 2.225 122.512 120.200 0.145 0.000 2.454 158 E HA 0.727 5.077 4.350 -0.000 0.000 0.279 158 E C 0.083 176.789 176.600 0.176 0.000 1.029 158 E CA -0.277 56.201 56.400 0.130 0.000 0.831 158 E CB 2.310 32.092 29.700 0.136 0.000 1.405 158 E HN 0.953 nan 8.360 nan 0.000 0.463 159 G N 0.404 109.284 108.800 0.133 0.000 2.378 159 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.198 159 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.198 159 G C -0.736 174.081 174.900 -0.139 0.000 1.223 159 G CA -0.476 44.704 45.100 0.133 0.000 1.088 159 G HN 0.431 nan 8.290 nan 0.000 0.530 160 S N 0.856 116.314 115.700 -0.402 0.000 2.549 160 S HA 0.506 4.976 4.470 -0.000 0.000 0.283 160 S C 0.180 174.635 174.600 -0.241 0.000 1.320 160 S CA 0.334 58.376 58.200 -0.264 0.000 1.058 160 S CB 1.038 64.207 63.200 -0.051 0.000 0.882 160 S HN 0.618 nan 8.310 nan 0.000 0.498 161 Q N 1.265 120.963 119.800 -0.170 0.000 2.375 161 Q HA 0.590 4.930 4.340 -0.000 0.000 0.271 161 Q C -1.675 174.317 176.000 -0.013 0.000 1.074 161 Q CA -0.699 55.036 55.803 -0.114 0.000 0.808 161 Q CB 2.288 31.006 28.738 -0.032 0.000 1.327 161 Q HN 0.687 nan 8.270 nan 0.000 0.441 162 Y N 1.523 121.622 120.300 -0.335 0.000 2.362 162 Y HA 0.352 4.902 4.550 -0.000 0.000 0.326 162 Y C -1.676 173.944 175.900 -0.468 0.000 1.083 162 Y CA -0.569 57.404 58.100 -0.212 0.000 1.073 162 Y CB 1.323 39.705 38.460 -0.131 0.000 1.211 162 Y HN 0.664 nan 8.280 nan 0.000 0.433 163 H N 5.634 124.563 119.070 -0.235 0.000 2.823 163 H HA 0.707 5.263 4.556 -0.000 0.000 0.332 163 H C -1.381 173.825 175.328 -0.205 0.000 0.980 163 H CA -0.639 55.308 56.048 -0.167 0.000 1.286 163 H CB 1.845 31.594 29.762 -0.021 0.000 1.541 163 H HN 0.432 nan 8.280 nan 0.000 0.521 164 V N 4.611 124.481 119.914 -0.074 0.000 2.808 164 V HA 0.439 4.559 4.120 -0.000 0.000 0.308 164 V C -0.736 175.573 176.094 0.358 0.000 1.099 164 V CA -1.042 61.296 62.300 0.063 0.000 0.920 164 V CB 2.076 33.850 31.823 -0.081 0.000 1.014 164 V HN 0.636 nan 8.190 nan 0.000 0.425 165 F N 1.580 121.724 119.950 0.322 0.000 2.613 165 F HA 1.034 5.561 4.527 -0.000 0.000 0.310 165 F C -0.454 175.641 175.800 0.491 0.000 1.085 165 F CA -1.041 57.203 58.000 0.407 0.000 0.945 165 F CB 1.789 40.940 39.000 0.252 0.000 1.298 165 F HN 0.780 nan 8.300 nan 0.000 0.455 166 A N 1.817 124.968 122.820 0.551 0.000 2.572 166 A HA 0.844 5.164 4.320 -0.000 0.000 0.295 166 A C -2.136 175.670 177.584 0.369 0.000 1.072 166 A CA -0.876 51.367 52.037 0.343 0.000 0.691 166 A CB 1.859 20.971 19.000 0.188 0.000 1.291 166 A HN 1.076 nan 8.150 nan 0.000 0.404 167 V N 0.628 120.713 119.914 0.285 0.000 2.686 167 V HA 0.874 4.994 4.120 -0.000 0.000 0.306 167 V C 0.413 176.585 176.094 0.130 0.000 1.065 167 V CA 0.336 62.759 62.300 0.206 0.000 0.894 167 V CB 1.708 33.691 31.823 0.266 0.000 1.004 167 V HN 1.758 nan 8.190 nan 0.000 0.424 168 G N 2.050 110.910 108.800 0.100 0.000 2.608 168 G HA2 0.541 4.501 3.960 -0.000 0.000 0.291 168 G HA3 0.541 4.501 3.960 -0.000 0.000 0.291 168 G C 0.310 175.280 174.900 0.117 0.000 1.425 168 G CA 0.119 45.263 45.100 0.074 0.000 0.787 168 G HN 0.931 nan 8.290 nan 0.000 0.484 169 G N -1.247 107.600 108.800 0.079 0.000 3.042 169 G HA2 0.467 4.427 3.960 -0.000 0.000 0.212 169 G HA3 0.467 4.427 3.960 -0.000 0.000 0.212 169 G C 0.301 175.262 174.900 0.102 0.000 1.166 169 G CA 0.289 45.463 45.100 0.123 0.000 0.767 169 G HN 0.533 nan 8.290 nan 0.000 0.546 170 E N -0.687 119.450 120.200 -0.106 0.000 2.449 170 E HA 0.297 4.647 4.350 -0.000 0.000 0.278 170 E C -2.941 173.059 176.600 -1.000 0.000 0.992 170 E CA -2.152 53.960 56.400 -0.480 0.000 0.807 170 E CB 2.169 31.695 29.700 -0.290 0.000 1.350 170 E HN -0.141 nan 8.360 nan 0.000 0.462 171 P HA 0.021 nan 4.420 nan 0.000 0.271 171 P C -0.731 176.232 177.300 -0.561 0.000 1.218 171 P CA -0.424 62.084 63.100 -0.987 0.000 0.780 171 P CB 0.377 31.665 31.700 -0.687 0.000 0.901 172 L N 3.434 124.373 121.223 -0.473 0.000 2.513 172 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 172 L C -0.046 176.540 176.870 -0.472 0.000 1.187 172 L CA 0.703 55.282 54.840 -0.434 0.000 0.895 172 L CB -0.560 41.185 42.059 -0.525 0.000 1.147 172 L HN 0.279 nan 8.230 nan 0.000 0.483 173 D N 6.151 126.335 120.400 -0.360 0.000 2.351 173 D HA 0.283 4.923 4.640 -0.000 0.000 0.251 173 D C -0.334 175.768 176.300 -0.329 0.000 1.137 173 D CA 0.228 54.041 54.000 -0.312 0.000 0.879 173 D CB 1.038 41.720 40.800 -0.198 0.000 1.181 173 D HN 0.455 nan 8.370 nan 0.000 0.448 174 L N 1.854 122.886 121.223 -0.317 0.000 2.334 174 L HA 0.362 4.702 4.340 -0.000 0.000 0.276 174 L C -0.038 176.871 176.870 0.066 0.000 1.014 174 L CA -0.916 53.809 54.840 -0.191 0.000 0.815 174 L CB 1.691 43.535 42.059 -0.359 0.000 1.268 174 L HN 0.165 nan 8.230 nan 0.000 0.428 175 Q N 1.348 121.267 119.800 0.199 0.000 2.325 175 Q HA 0.572 4.912 4.340 -0.000 0.000 0.270 175 Q C -0.487 175.699 176.000 0.309 0.000 1.020 175 Q CA -0.359 55.590 55.803 0.243 0.000 0.785 175 Q CB 2.113 30.942 28.738 0.152 0.000 1.259 175 Q HN 0.693 nan 8.270 nan 0.000 0.452 176 G N 3.079 111.997 108.800 0.196 0.000 2.420 176 G HA2 0.602 4.562 3.960 -0.000 0.000 0.284 176 G HA3 0.602 4.562 3.960 -0.000 0.000 0.284 176 G C -1.365 173.504 174.900 -0.051 0.000 1.177 176 G CA -0.466 44.485 45.100 -0.248 0.000 0.841 176 G HN 0.745 nan 8.290 nan 0.000 0.527 177 L N 2.010 123.219 121.223 -0.023 0.000 2.705 177 L HA 0.533 4.873 4.340 -0.000 0.000 0.260 177 L C -0.675 176.244 176.870 0.082 0.000 0.921 177 L CA -0.880 53.999 54.840 0.065 0.000 0.948 177 L CB 1.843 43.958 42.059 0.094 0.000 1.427 177 L HN 0.657 nan 8.230 nan 0.000 0.432 178 V N 0.206 120.125 119.914 0.008 0.000 3.113 178 V HA 0.587 4.707 4.120 -0.000 0.000 0.316 178 V C 0.693 176.797 176.094 0.018 0.000 1.125 178 V CA 0.013 62.328 62.300 0.025 0.000 1.026 178 V CB 1.448 33.295 31.823 0.041 0.000 1.080 178 V HN 0.735 nan 8.190 nan 0.000 0.444 179 T N 0.491 115.061 114.554 0.027 0.000 2.812 179 T HA 0.019 4.369 4.350 -0.000 0.000 0.264 179 T C 0.253 174.953 174.700 0.000 0.000 1.042 179 T CA 2.117 64.223 62.100 0.010 0.000 1.140 179 T CB -0.249 68.632 68.868 0.020 0.000 0.870 179 T HN 0.895 nan 8.240 nan 0.000 0.445 180 D N -0.732 119.668 120.400 0.000 0.000 2.686 180 D HA 0.528 5.168 4.640 -0.000 0.000 0.249 180 D C 0.282 176.569 176.300 -0.022 0.000 1.260 180 D CA -0.413 53.574 54.000 -0.021 0.000 0.910 180 D CB 1.559 42.333 40.800 -0.044 0.000 1.323 180 D HN 0.059 nan 8.370 nan 0.000 0.561 181 A N 3.873 126.683 122.820 -0.016 0.000 2.172 181 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 181 A C 1.672 179.240 177.584 -0.026 0.000 1.154 181 A CA 0.847 52.879 52.037 -0.009 0.000 0.701 181 A CB -0.076 18.919 19.000 -0.007 0.000 0.789 181 A HN 0.564 nan 8.150 nan 0.000 0.465 182 R N -0.550 119.921 120.500 -0.048 0.000 2.300 182 R HA 0.061 4.401 4.340 -0.000 0.000 0.199 182 R C -0.115 176.117 176.300 -0.113 0.000 0.920 182 R CA 0.191 56.254 56.100 -0.062 0.000 1.046 182 R CB -0.134 30.134 30.300 -0.053 0.000 0.984 182 R HN 0.279 nan 8.270 nan 0.000 0.493 183 T N 2.340 116.788 114.554 -0.177 0.000 2.871 183 T HA 0.014 4.364 4.350 -0.000 0.000 0.296 183 T C 0.239 174.703 174.700 -0.393 0.000 0.998 183 T CA 0.549 62.434 62.100 -0.358 0.000 1.162 183 T CB 0.577 69.083 68.868 -0.603 0.000 0.947 183 T HN 0.061 nan 8.240 nan 0.000 0.536 184 K N 3.930 124.139 120.400 -0.318 0.000 2.265 184 K HA 0.195 4.515 4.320 -0.000 0.000 0.242 184 K C -0.630 175.872 176.600 -0.163 0.000 1.137 184 K CA -0.317 55.862 56.287 -0.181 0.000 1.082 184 K CB 0.093 32.534 32.500 -0.098 0.000 1.731 184 K HN 0.515 nan 8.250 nan 0.000 0.392 185 Y N 1.491 121.789 120.300 -0.003 0.000 2.397 185 Y HA 0.001 4.551 4.550 -0.000 0.000 0.335 185 Y C 1.107 177.011 175.900 0.007 0.000 1.213 185 Y CA -0.254 57.848 58.100 0.003 0.000 1.391 185 Y CB 0.432 38.892 38.460 -0.000 0.000 1.293 185 Y HN 0.129 nan 8.280 nan 0.000 0.557 186 K N 2.116 122.627 120.400 0.185 0.000 2.414 186 K HA -0.037 4.283 4.320 -0.000 0.000 0.272 186 K C 0.676 177.332 176.600 0.094 0.000 0.993 186 K CA 0.160 56.510 56.287 0.104 0.000 0.964 186 K CB 0.475 33.025 32.500 0.083 0.000 0.925 186 K HN 0.795 nan 8.250 nan 0.000 0.487 187 E N 1.242 121.479 120.200 0.062 0.000 2.230 187 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 187 E C -0.292 176.326 176.600 0.030 0.000 0.987 187 E CA 0.752 57.180 56.400 0.048 0.000 0.841 187 E CB 0.344 30.066 29.700 0.038 0.000 0.783 187 E HN 0.508 nan 8.360 nan 0.000 0.481 188 E N -0.800 119.416 120.200 0.028 0.000 2.195 188 E HA 0.408 4.758 4.350 -0.000 0.000 0.271 188 E C 0.229 176.839 176.600 0.018 0.000 0.923 188 E CA -0.056 56.354 56.400 0.016 0.000 0.790 188 E CB 1.838 31.548 29.700 0.016 0.000 1.155 188 E HN 0.170 nan 8.360 nan 0.000 0.402 189 G N 1.193 109.996 108.800 0.005 0.000 2.284 189 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 189 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 189 G C 0.065 174.962 174.900 -0.005 0.000 1.009 189 G CA 0.063 45.169 45.100 0.009 0.000 0.625 189 G HN 0.714 nan 8.290 nan 0.000 0.501 190 V N -1.922 117.979 119.914 -0.022 0.000 3.049 190 V HA 0.876 4.996 4.120 -0.000 0.000 0.309 190 V C -0.062 175.966 176.094 -0.110 0.000 1.148 190 V CA -1.192 61.073 62.300 -0.058 0.000 0.990 190 V CB 2.171 33.977 31.823 -0.029 0.000 1.039 190 V HN 0.631 nan 8.190 nan 0.000 0.430 191 V N 3.139 122.919 119.914 -0.224 0.000 2.333 191 V HA 0.634 4.754 4.120 -0.000 0.000 0.274 191 V C 0.740 176.868 176.094 0.057 0.000 1.028 191 V CA 0.634 62.773 62.300 -0.267 0.000 0.851 191 V CB 0.867 32.167 31.823 -0.871 0.000 1.000 191 V HN 1.278 nan 8.190 nan 0.000 0.456 192 T N 1.829 116.450 114.554 0.112 0.000 2.841 192 T HA 0.571 4.921 4.350 -0.000 0.000 0.276 192 T C 1.235 176.090 174.700 0.258 0.000 1.003 192 T CA -0.703 61.462 62.100 0.109 0.000 0.995 192 T CB 1.255 70.049 68.868 -0.123 0.000 1.260 192 T HN 0.180 nan 8.240 nan 0.000 0.581 193 I N 0.469 121.048 120.570 0.015 0.000 2.208 193 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 193 I C 2.823 179.013 176.117 0.123 0.000 1.097 193 I CA 1.587 62.926 61.300 0.065 0.000 1.363 193 I CB -0.385 37.546 38.000 -0.114 0.000 1.051 193 I HN 0.759 nan 8.210 nan 0.000 0.413 194 K N 0.710 121.161 120.400 0.084 0.000 2.097 194 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 194 K C 2.000 178.647 176.600 0.078 0.000 1.049 194 K CA 1.818 58.150 56.287 0.076 0.000 0.933 194 K CB -0.056 32.486 32.500 0.069 0.000 0.717 194 K HN 0.240 nan 8.250 nan 0.000 0.442 195 T N 1.597 116.203 114.554 0.086 0.000 2.803 195 T HA -0.120 4.229 4.350 -0.000 0.000 0.269 195 T C 1.659 176.400 174.700 0.068 0.000 1.052 195 T CA 1.139 63.275 62.100 0.060 0.000 1.136 195 T CB -0.013 68.875 68.868 0.034 0.000 0.864 195 T HN 0.148 nan 8.240 nan 0.000 0.467 196 I N 1.772 122.414 120.570 0.121 0.000 2.339 196 I HA -0.025 4.145 4.170 -0.000 0.000 0.245 196 I C 2.867 179.035 176.117 0.086 0.000 1.096 196 I CA 1.525 62.893 61.300 0.113 0.000 1.408 196 I CB -1.751 36.368 38.000 0.199 0.000 1.092 196 I HN 0.378 nan 8.210 nan 0.000 0.423 197 T N -2.353 112.256 114.554 0.091 0.000 3.067 197 T HA 0.003 4.353 4.350 -0.000 0.000 0.257 197 T C 1.015 175.743 174.700 0.046 0.000 1.105 197 T CA 0.209 62.348 62.100 0.064 0.000 1.104 197 T CB 0.161 69.067 68.868 0.063 0.000 0.925 197 T HN 0.096 nan 8.240 nan 0.000 0.498 198 K N 0.077 120.504 120.400 0.046 0.000 3.446 198 K HA -0.113 4.207 4.320 -0.000 0.000 0.312 198 K C -0.347 176.272 176.600 0.031 0.000 1.329 198 K CA 1.028 57.336 56.287 0.034 0.000 0.935 198 K CB -1.974 30.542 32.500 0.026 0.000 1.281 198 K HN 0.587 nan 8.250 nan 0.000 0.457 199 K N 0.455 120.876 120.400 0.035 0.000 2.482 199 K HA 0.328 4.648 4.320 -0.000 0.000 0.257 199 K C -0.537 176.082 176.600 0.032 0.000 0.969 199 K CA -1.031 55.273 56.287 0.029 0.000 0.842 199 K CB 1.668 34.183 32.500 0.025 0.000 1.359 199 K HN -0.145 nan 8.250 nan 0.000 0.441 200 D N 1.462 121.878 120.400 0.026 0.000 2.378 200 D HA 0.056 4.696 4.640 -0.000 0.000 0.238 200 D C 0.330 176.645 176.300 0.024 0.000 1.180 200 D CA 0.463 54.479 54.000 0.026 0.000 0.895 200 D CB 0.594 41.404 40.800 0.017 0.000 1.192 200 D HN 0.255 nan 8.370 nan 0.000 0.438 201 M N 0.689 120.304 119.600 0.024 0.000 2.245 201 M HA 0.095 4.575 4.480 -0.000 0.000 0.330 201 M C 0.250 176.555 176.300 0.008 0.000 1.098 201 M CA -0.195 55.115 55.300 0.016 0.000 1.172 201 M CB 0.807 33.417 32.600 0.018 0.000 1.467 201 M HN 0.153 nan 8.290 nan 0.000 0.454 202 V N 0.157 120.074 119.914 0.005 0.000 3.096 202 V HA 0.395 4.515 4.120 -0.000 0.000 0.319 202 V C 0.827 176.920 176.094 -0.001 0.000 1.103 202 V CA -0.827 61.475 62.300 0.003 0.000 1.016 202 V CB 1.405 33.231 31.823 0.005 0.000 1.090 202 V HN 0.964 nan 8.190 nan 0.000 0.449 203 N N 1.245 119.944 118.700 -0.002 0.000 2.272 203 N HA -0.228 4.512 4.740 -0.000 0.000 0.185 203 N C 1.223 176.730 175.510 -0.004 0.000 1.014 203 N CA 1.953 55.000 53.050 -0.004 0.000 0.870 203 N CB -0.608 37.876 38.487 -0.005 0.000 0.975 203 N HN 0.860 nan 8.380 nan 0.000 0.433 204 K N 0.027 120.426 120.400 -0.002 0.000 2.360 204 K HA -0.058 4.262 4.320 -0.000 0.000 0.201 204 K C 0.678 177.276 176.600 -0.003 0.000 1.046 204 K CA 1.044 57.331 56.287 -0.001 0.000 0.945 204 K CB 0.022 32.524 32.500 0.003 0.000 0.750 204 K HN 0.214 nan 8.250 nan 0.000 0.464 205 D N 1.102 121.498 120.400 -0.007 0.000 2.371 205 D HA -0.102 4.538 4.640 -0.000 0.000 0.221 205 D C 1.305 177.596 176.300 -0.016 0.000 0.986 205 D CA 0.914 54.905 54.000 -0.016 0.000 0.899 205 D CB 0.181 40.966 40.800 -0.025 0.000 0.902 205 D HN 0.327 nan 8.370 nan 0.000 0.530 206 Q N 0.017 119.810 119.800 -0.011 0.000 2.425 206 Q HA 0.056 4.396 4.340 -0.000 0.000 0.204 206 Q C 1.070 177.061 176.000 -0.015 0.000 0.933 206 Q CA 0.151 55.947 55.803 -0.012 0.000 0.939 206 Q CB 0.900 29.631 28.738 -0.011 0.000 1.044 206 Q HN 0.227 nan 8.270 nan 0.000 0.513 207 V N -3.560 116.347 119.914 -0.012 0.000 3.856 207 V HA 0.443 4.562 4.120 -0.000 0.000 0.302 207 V C -0.631 175.461 176.094 -0.004 0.000 1.389 207 V CA -1.217 61.076 62.300 -0.012 0.000 0.964 207 V CB 0.755 32.574 31.823 -0.008 0.000 1.227 207 V HN 0.008 nan 8.190 nan 0.000 0.474 208 L N 2.557 123.781 121.223 0.001 0.000 2.261 208 L HA 0.561 4.901 4.340 -0.000 0.000 0.289 208 L C -0.579 176.300 176.870 0.015 0.000 1.059 208 L CA -0.036 54.812 54.840 0.013 0.000 0.816 208 L CB 0.491 42.559 42.059 0.015 0.000 1.191 208 L HN 0.865 nan 8.230 nan 0.000 0.431 209 N N 6.315 125.027 118.700 0.020 0.000 2.518 209 N HA 0.381 5.121 4.740 -0.000 0.000 0.254 209 N C -2.114 173.416 175.510 0.034 0.000 0.979 209 N CA -2.296 50.767 53.050 0.021 0.000 0.930 209 N CB 1.869 40.365 38.487 0.015 0.000 1.152 209 N HN 0.224 nan 8.380 nan 0.000 0.505 210 P HA -0.094 nan 4.420 nan 0.000 0.217 210 P C 1.268 178.594 177.300 0.043 0.000 1.148 210 P CA 1.081 64.202 63.100 0.035 0.000 0.834 210 P CB 0.353 32.068 31.700 0.024 0.000 0.783 211 I N -1.566 119.029 120.570 0.041 0.000 2.286 211 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 211 I C 0.682 176.845 176.117 0.077 0.000 1.115 211 I CA 1.087 62.416 61.300 0.048 0.000 1.392 211 I CB -0.532 37.491 38.000 0.038 0.000 1.065 211 I HN -0.166 nan 8.210 nan 0.000 0.418 212 S N 3.034 118.787 115.700 0.088 0.000 3.530 212 S HA 0.224 4.694 4.470 -0.000 0.000 0.279 212 S C -0.081 174.679 174.600 0.266 0.000 1.280 212 S CA -0.032 58.255 58.200 0.146 0.000 0.946 212 S CB -0.431 62.801 63.200 0.053 0.000 1.501 212 S HN 0.212 nan 8.310 nan 0.000 0.498 213 K N 1.310 121.867 120.400 0.261 0.000 2.443 213 K HA 0.877 5.197 4.320 -0.000 0.000 0.251 213 K C -0.538 176.104 176.600 0.070 0.000 0.972 213 K CA -0.791 55.624 56.287 0.212 0.000 0.833 213 K CB 2.264 34.808 32.500 0.073 0.000 1.317 213 K HN 0.433 nan 8.250 nan 0.000 0.441 214 A N 1.391 124.104 122.820 -0.179 0.000 2.557 214 A HA 0.635 4.955 4.320 -0.000 0.000 0.292 214 A C -1.764 175.532 177.584 -0.479 0.000 1.139 214 A CA -0.847 50.941 52.037 -0.415 0.000 0.665 214 A CB 1.410 19.889 19.000 -0.867 0.000 1.285 214 A HN 0.573 nan 8.150 nan 0.000 0.433 215 K N -0.036 120.047 120.400 -0.528 0.000 2.378 215 K HA 0.490 4.810 4.320 -0.000 0.000 0.252 215 K C -1.367 174.735 176.600 -0.830 0.000 0.931 215 K CA -0.816 55.133 56.287 -0.563 0.000 0.794 215 K CB 2.300 34.574 32.500 -0.377 0.000 1.181 215 K HN 0.439 nan 8.250 nan 0.000 0.425 216 L N 4.716 125.411 121.223 -0.879 0.000 2.415 216 L HA 0.064 4.404 4.340 -0.000 0.000 0.269 216 L C 0.010 176.577 176.870 -0.504 0.000 1.244 216 L CA 0.506 54.770 54.840 -0.959 0.000 1.113 216 L CB -0.665 40.880 42.059 -0.856 0.000 1.352 216 L HN 0.620 nan 8.230 nan 0.000 0.433 217 D N 0.867 121.047 120.400 -0.367 0.000 2.369 217 D HA 0.076 4.716 4.640 -0.000 0.000 0.211 217 D C -0.133 176.188 176.300 0.035 0.000 1.077 217 D CA 0.177 54.123 54.000 -0.091 0.000 0.842 217 D CB 0.161 40.923 40.800 -0.063 0.000 0.947 217 D HN 0.375 nan 8.370 nan 0.000 0.509 218 K N 0.070 120.534 120.400 0.106 0.000 2.468 218 K HA 0.322 4.642 4.320 -0.000 0.000 0.252 218 K C -1.577 175.123 176.600 0.166 0.000 0.932 218 K CA -0.880 55.494 56.287 0.146 0.000 0.794 218 K CB 2.392 34.994 32.500 0.171 0.000 1.241 218 K HN -0.157 nan 8.250 nan 0.000 0.428 219 D N 0.442 120.911 120.400 0.116 0.000 2.345 219 D HA 0.268 4.908 4.640 -0.000 0.000 0.247 219 D C 0.755 177.143 176.300 0.146 0.000 1.108 219 D CA 0.883 54.961 54.000 0.129 0.000 0.894 219 D CB 0.757 41.608 40.800 0.085 0.000 1.203 219 D HN 0.665 nan 8.370 nan 0.000 0.430 220 G N 3.601 112.508 108.800 0.178 0.000 2.305 220 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.287 220 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.287 220 G C 0.636 175.615 174.900 0.131 0.000 1.036 220 G CA 0.646 45.840 45.100 0.157 0.000 0.887 220 G HN 0.429 nan 8.290 nan 0.000 0.505 221 M N -2.244 117.453 119.600 0.162 0.000 2.180 221 M HA 0.275 4.755 4.480 -0.000 0.000 0.289 221 M C 0.035 176.313 176.300 -0.037 0.000 1.089 221 M CA 0.278 55.593 55.300 0.026 0.000 1.120 221 M CB 0.366 32.920 32.600 -0.077 0.000 1.864 221 M HN 0.184 nan 8.290 nan 0.000 0.636 222 Y N 2.158 122.528 120.300 0.117 0.000 2.454 222 Y HA 0.389 4.939 4.550 -0.000 0.000 0.345 222 Y C -2.091 174.026 175.900 0.363 0.000 0.970 222 Y CA -2.654 55.576 58.100 0.216 0.000 1.204 222 Y CB -0.011 38.455 38.460 0.009 0.000 1.122 222 Y HN -0.001 nan 8.280 nan 0.000 0.514 223 P HA -0.077 nan 4.420 nan 0.000 0.265 223 P C 0.931 178.323 177.300 0.152 0.000 1.193 223 P CA 0.155 63.339 63.100 0.140 0.000 0.765 223 P CB 0.923 32.587 31.700 -0.059 0.000 0.823 224 V N 2.005 121.887 119.914 -0.054 0.000 2.970 224 V HA -0.162 3.958 4.120 -0.000 0.000 0.260 224 V C 1.380 177.357 176.094 -0.194 0.000 1.100 224 V CA 1.668 63.856 62.300 -0.186 0.000 1.122 224 V CB -1.436 30.122 31.823 -0.442 0.000 0.721 224 V HN 0.589 nan 8.190 nan 0.000 0.483 225 E N 0.225 120.325 120.200 -0.167 0.000 2.502 225 E HA 0.097 4.447 4.350 -0.000 0.000 0.194 225 E C 1.692 178.232 176.600 -0.100 0.000 1.062 225 E CA 0.887 57.227 56.400 -0.099 0.000 0.867 225 E CB -0.047 29.640 29.700 -0.022 0.000 0.888 225 E HN 0.666 nan 8.360 nan 0.000 0.510 226 I N -1.125 119.280 120.570 -0.275 0.000 3.673 226 I HA 0.160 4.330 4.170 -0.000 0.000 0.281 226 I C 0.212 175.833 176.117 -0.827 0.000 1.182 226 I CA -0.250 60.724 61.300 -0.542 0.000 1.391 226 I CB 0.351 37.853 38.000 -0.831 0.000 1.383 226 I HN 0.049 nan 8.210 nan 0.000 0.456 227 W N 2.731 123.816 121.300 -0.358 0.000 2.349 227 W HA 0.430 5.090 4.660 -0.000 0.000 0.309 227 W C -0.178 176.124 176.519 -0.362 0.000 1.083 227 W CA -0.434 56.726 57.345 -0.308 0.000 1.224 227 W CB 0.621 30.086 29.460 0.008 0.000 1.256 227 W HN -0.023 nan 8.180 nan 0.000 0.461 228 H N 1.923 121.225 119.070 0.387 0.000 2.731 228 H HA 0.364 4.920 4.556 -0.000 0.000 0.368 228 H C -2.386 172.975 175.328 0.055 0.000 1.168 228 H CA -2.655 53.562 56.048 0.282 0.000 1.181 228 H CB 1.283 31.141 29.762 0.160 0.000 1.743 228 H HN -0.031 nan 8.280 nan 0.000 0.547 229 P HA -0.069 nan 4.420 nan 0.000 0.267 229 P C -0.020 177.106 177.300 -0.290 0.000 1.205 229 P CA 0.202 63.015 63.100 -0.479 0.000 0.765 229 P CB 0.490 31.438 31.700 -1.254 0.000 0.828 230 D N 5.252 125.520 120.400 -0.220 0.000 2.339 230 D HA 0.077 4.717 4.640 -0.000 0.000 0.241 230 D C -1.294 175.013 176.300 0.012 0.000 1.183 230 D CA -2.333 51.630 54.000 -0.061 0.000 0.859 230 D CB 0.633 41.401 40.800 -0.053 0.000 1.067 230 D HN 0.210 nan 8.370 nan 0.000 0.484 231 P HA -0.068 nan 4.420 nan 0.000 0.223 231 P C 0.833 178.175 177.300 0.069 0.000 1.151 231 P CA 0.435 63.622 63.100 0.145 0.000 0.787 231 P CB 0.291 32.067 31.700 0.127 0.000 0.788 232 A N -0.679 122.164 122.820 0.039 0.000 2.167 232 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 232 A C 1.536 179.122 177.584 0.004 0.000 1.151 232 A CA 0.968 53.015 52.037 0.017 0.000 0.735 232 A CB -0.414 18.594 19.000 0.013 0.000 0.802 232 A HN 0.211 nan 8.150 nan 0.000 0.467 233 K N -2.413 117.988 120.400 0.002 0.000 1.908 233 K HA 0.325 4.645 4.320 -0.000 0.000 0.286 233 K C -0.470 176.125 176.600 -0.008 0.000 0.951 233 K CA -0.728 55.547 56.287 -0.020 0.000 0.966 233 K CB 0.295 32.767 32.500 -0.047 0.000 3.230 233 K HN 0.028 nan 8.250 nan 0.000 1.118 234 N N 1.740 120.419 118.700 -0.035 0.000 2.727 234 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 234 N C 0.101 175.599 175.510 -0.021 0.000 1.048 234 N CA 0.719 53.758 53.050 -0.019 0.000 0.714 234 N CB -0.690 37.846 38.487 0.082 0.000 0.959 234 N HN 0.458 nan 8.380 nan 0.000 0.544 235 E N 0.248 120.426 120.200 -0.037 0.000 2.268 235 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 235 E C 0.814 177.392 176.600 -0.037 0.000 0.995 235 E CA 0.872 57.250 56.400 -0.037 0.000 0.836 235 E CB 0.067 29.745 29.700 -0.037 0.000 0.763 235 E HN 0.317 nan 8.360 nan 0.000 0.491 236 N N -0.618 118.059 118.700 -0.039 0.000 2.416 236 N HA 0.146 4.886 4.740 -0.000 0.000 0.267 236 N C -1.481 174.018 175.510 -0.018 0.000 1.294 236 N CA 0.052 53.086 53.050 -0.027 0.000 0.891 236 N CB 0.942 39.412 38.487 -0.029 0.000 1.238 236 N HN -0.150 nan 8.380 nan 0.000 0.508 237 T N 0.041 114.582 114.554 -0.022 0.000 2.933 237 T HA 0.470 4.820 4.350 -0.000 0.000 0.305 237 T C -1.033 173.649 174.700 -0.031 0.000 1.092 237 T CA -0.687 61.411 62.100 -0.003 0.000 1.008 237 T CB 1.819 70.680 68.868 -0.012 0.000 1.102 237 T HN -0.137 nan 8.240 nan 0.000 0.469 238 R N 2.414 122.892 120.500 -0.036 0.000 2.437 238 R HA 0.524 4.864 4.340 -0.000 0.000 0.310 238 R C -1.211 174.914 176.300 -0.292 0.000 0.955 238 R CA -0.772 55.183 56.100 -0.242 0.000 0.851 238 R CB 0.911 31.142 30.300 -0.115 0.000 1.161 238 R HN 0.807 nan 8.270 nan 0.000 0.446 239 Y N -0.079 119.862 120.300 -0.598 0.000 2.536 239 Y HA 0.802 5.352 4.550 -0.000 0.000 0.347 239 Y C -1.133 174.229 175.900 -0.897 0.000 1.000 239 Y CA -1.790 55.998 58.100 -0.521 0.000 1.051 239 Y CB 1.432 39.756 38.460 -0.227 0.000 1.259 239 Y HN 0.309 nan 8.280 nan 0.000 0.468 240 F N 1.583 121.360 119.950 -0.288 0.000 2.579 240 F HA 0.761 5.288 4.527 -0.000 0.000 0.325 240 F C 0.189 175.922 175.800 -0.111 0.000 1.162 240 F CA -1.069 56.758 58.000 -0.288 0.000 0.946 240 F CB 2.255 40.926 39.000 -0.547 0.000 1.211 240 F HN 0.946 nan 8.300 nan 0.000 0.447 241 G N 2.018 110.921 108.800 0.172 0.000 2.612 241 G HA2 0.656 4.616 3.960 -0.000 0.000 0.298 241 G HA3 0.656 4.616 3.960 -0.000 0.000 0.298 241 G C -1.819 173.155 174.900 0.124 0.000 1.336 241 G CA -1.063 44.103 45.100 0.111 0.000 0.953 241 G HN 0.737 nan 8.290 nan 0.000 0.482 242 N N -1.278 117.479 118.700 0.094 0.000 2.331 242 N HA 0.590 5.330 4.740 -0.000 0.000 0.280 242 N C -1.703 173.954 175.510 0.244 0.000 1.155 242 N CA -0.956 52.196 53.050 0.171 0.000 0.822 242 N CB 2.293 40.874 38.487 0.158 0.000 1.619 242 N HN 0.642 nan 8.380 nan 0.000 0.476 243 Y N 0.014 120.415 120.300 0.169 0.000 2.492 243 Y HA 0.708 5.258 4.550 -0.000 0.000 0.346 243 Y C -1.637 174.355 175.900 0.154 0.000 0.997 243 Y CA -0.422 57.815 58.100 0.228 0.000 1.025 243 Y CB 2.462 41.100 38.460 0.296 0.000 1.263 243 Y HN 0.690 nan 8.280 nan 0.000 0.454 244 T N 5.097 119.238 114.554 -0.688 0.000 2.949 244 T HA 0.534 4.884 4.350 -0.000 0.000 0.300 244 T C 0.083 174.276 174.700 -0.846 0.000 0.988 244 T CA -0.266 61.492 62.100 -0.570 0.000 0.993 244 T CB 1.156 69.908 68.868 -0.193 0.000 0.984 244 T HN 1.004 nan 8.240 nan 0.000 0.442 245 G N 1.124 109.508 108.800 -0.693 0.000 2.582 245 G HA2 0.786 4.746 3.960 -0.000 0.000 0.232 245 G HA3 0.786 4.746 3.960 -0.000 0.000 0.232 245 G C 0.430 175.315 174.900 -0.025 0.000 1.458 245 G CA 0.028 44.969 45.100 -0.265 0.000 1.062 245 G HN 1.270 nan 8.290 nan 0.000 0.566 246 G N -2.912 105.960 108.800 0.119 0.000 2.661 246 G HA2 0.249 4.209 3.960 -0.000 0.000 0.685 246 G HA3 0.249 4.209 3.960 -0.000 0.000 0.685 246 G C 0.639 175.702 174.900 0.272 0.000 1.298 246 G CA 0.701 45.889 45.100 0.147 0.000 0.855 246 G HN 1.667 nan 8.290 nan 0.000 0.560 247 T N -4.616 110.085 114.554 0.244 0.000 3.018 247 T HA 0.300 4.650 4.350 -0.000 0.000 0.246 247 T C 1.804 176.702 174.700 0.330 0.000 1.026 247 T CA 1.971 64.268 62.100 0.328 0.000 1.081 247 T CB 0.162 69.106 68.868 0.127 0.000 0.970 247 T HN 1.916 nan 8.240 nan 0.000 0.475 248 T N 0.039 114.713 114.554 0.199 0.000 3.231 248 T HA 0.267 4.617 4.350 -0.000 0.000 0.292 248 T C 0.221 174.988 174.700 0.112 0.000 1.001 248 T CA -0.388 61.805 62.100 0.156 0.000 0.920 248 T CB -0.313 68.617 68.868 0.103 0.000 1.140 248 T HN 0.222 nan 8.240 nan 0.000 0.525 249 T N 5.108 119.725 114.554 0.104 0.000 2.908 249 T HA 0.216 4.566 4.350 -0.000 0.000 0.301 249 T C -2.557 172.173 174.700 0.050 0.000 1.019 249 T CA -0.437 61.699 62.100 0.059 0.000 1.152 249 T CB 0.297 69.184 68.868 0.033 0.000 0.966 249 T HN 0.181 nan 8.240 nan 0.000 0.540 250 P HA 0.231 nan 4.420 nan 0.000 0.271 250 P C -2.422 174.897 177.300 0.032 0.000 1.220 250 P CA -1.248 61.875 63.100 0.038 0.000 0.768 250 P CB -0.183 31.536 31.700 0.032 0.000 0.848 251 P HA 0.162 nan 4.420 nan 0.000 0.275 251 P C -0.848 176.476 177.300 0.040 0.000 1.227 251 P CA 0.175 63.300 63.100 0.041 0.000 0.781 251 P CB 0.624 32.350 31.700 0.044 0.000 0.906 252 V N 4.389 124.328 119.914 0.041 0.000 2.709 252 V HA 0.612 4.732 4.120 -0.000 0.000 0.308 252 V C -0.506 175.590 176.094 0.004 0.000 1.062 252 V CA -0.520 61.794 62.300 0.024 0.000 0.901 252 V CB 1.891 33.722 31.823 0.013 0.000 1.003 252 V HN 0.372 nan 8.190 nan 0.000 0.425 253 L N 3.874 125.103 121.223 0.010 0.000 2.545 253 L HA 0.691 5.031 4.340 -0.000 0.000 0.258 253 L C -1.105 175.798 176.870 0.056 0.000 0.942 253 L CA -0.057 54.779 54.840 -0.006 0.000 0.855 253 L CB 2.587 44.651 42.059 0.007 0.000 1.374 253 L HN 0.709 nan 8.230 nan 0.000 0.411 254 Q N 2.854 122.664 119.800 0.017 0.000 2.348 254 Q HA 0.841 5.181 4.340 -0.000 0.000 0.271 254 Q C -1.653 174.390 176.000 0.071 0.000 1.067 254 Q CA -0.198 55.576 55.803 -0.047 0.000 0.839 254 Q CB 2.395 31.069 28.738 -0.107 0.000 1.354 254 Q HN 0.431 nan 8.270 nan 0.000 0.447 255 F N -2.137 117.754 119.950 -0.100 0.000 2.604 255 F HA 0.842 5.369 4.527 -0.000 0.000 0.316 255 F C -0.789 174.955 175.800 -0.094 0.000 1.136 255 F CA -0.749 57.186 58.000 -0.109 0.000 0.989 255 F CB 1.617 40.551 39.000 -0.110 0.000 1.258 255 F HN 0.407 nan 8.300 nan 0.000 0.451 256 T N 1.370 115.916 114.554 -0.012 0.000 2.886 256 T HA 0.285 4.635 4.350 -0.000 0.000 0.330 256 T C -0.743 173.937 174.700 -0.033 0.000 1.488 256 T CA -0.613 61.451 62.100 -0.061 0.000 1.054 256 T CB 1.246 70.046 68.868 -0.113 0.000 1.348 256 T HN 0.936 nan 8.240 nan 0.000 0.489 257 N N 1.407 120.086 118.700 -0.035 0.000 2.276 257 N HA 0.067 4.807 4.740 -0.000 0.000 0.212 257 N C 1.031 176.525 175.510 -0.027 0.000 1.127 257 N CA 0.485 53.516 53.050 -0.032 0.000 0.834 257 N CB 0.038 38.498 38.487 -0.044 0.000 1.014 257 N HN 0.660 nan 8.380 nan 0.000 0.491 258 T N -3.269 111.262 114.554 -0.037 0.000 3.054 258 T HA 0.249 4.599 4.350 -0.000 0.000 0.255 258 T C 0.179 174.858 174.700 -0.034 0.000 1.035 258 T CA -0.486 61.594 62.100 -0.033 0.000 0.941 258 T CB -0.053 68.791 68.868 -0.039 0.000 1.026 258 T HN 0.072 nan 8.240 nan 0.000 0.533 259 L N 2.632 123.829 121.223 -0.043 0.000 2.272 259 L HA 0.617 4.957 4.340 -0.000 0.000 0.289 259 L C -0.791 176.050 176.870 -0.049 0.000 1.032 259 L CA -0.031 54.779 54.840 -0.050 0.000 0.810 259 L CB 1.482 43.500 42.059 -0.068 0.000 1.205 259 L HN 0.039 nan 8.230 nan 0.000 0.422 260 T N 3.138 117.669 114.554 -0.037 0.000 2.794 260 T HA 0.442 4.792 4.350 -0.000 0.000 0.280 260 T C -0.230 174.448 174.700 -0.038 0.000 0.987 260 T CA -0.351 61.731 62.100 -0.028 0.000 0.993 260 T CB 1.001 69.866 68.868 -0.005 0.000 0.939 260 T HN 0.620 nan 8.240 nan 0.000 0.449 261 T N 3.207 117.733 114.554 -0.047 0.000 2.743 261 T HA 0.359 4.709 4.350 -0.000 0.000 0.292 261 T C 0.400 175.110 174.700 0.017 0.000 0.972 261 T CA -0.501 61.561 62.100 -0.063 0.000 0.967 261 T CB 0.625 69.413 68.868 -0.133 0.000 0.926 261 T HN 0.328 nan 8.240 nan 0.000 0.459 262 V N 5.476 125.414 119.914 0.040 0.000 2.572 262 V HA 0.138 4.258 4.120 -0.000 0.000 0.291 262 V C 1.135 177.317 176.094 0.146 0.000 1.039 262 V CA 0.104 62.452 62.300 0.080 0.000 1.055 262 V CB 0.749 32.612 31.823 0.068 0.000 0.969 262 V HN 0.857 nan 8.190 nan 0.000 0.482 263 L N 4.879 126.188 121.223 0.143 0.000 2.640 263 L HA 0.294 4.634 4.340 -0.000 0.000 0.230 263 L C 0.467 177.404 176.870 0.113 0.000 1.123 263 L CA 0.066 55.010 54.840 0.173 0.000 0.900 263 L CB 0.054 42.215 42.059 0.171 0.000 1.146 263 L HN 0.463 nan 8.230 nan 0.000 0.484 264 L N 1.168 122.444 121.223 0.088 0.000 2.426 264 L HA 0.065 4.405 4.340 -0.000 0.000 0.271 264 L C 0.306 177.205 176.870 0.047 0.000 1.169 264 L CA -0.440 54.436 54.840 0.061 0.000 0.836 264 L CB 0.238 42.329 42.059 0.053 0.000 1.112 264 L HN 0.161 nan 8.230 nan 0.000 0.465 265 D N 1.497 121.914 120.400 0.028 0.000 2.440 265 D HA -0.021 4.619 4.640 -0.000 0.000 0.269 265 D C 1.001 177.309 176.300 0.013 0.000 1.249 265 D CA -0.511 53.495 54.000 0.011 0.000 1.055 265 D CB 0.290 41.087 40.800 -0.005 0.000 1.104 265 D HN 0.584 nan 8.370 nan 0.000 0.561 266 E N -0.192 120.010 120.200 0.003 0.000 2.267 266 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 266 E C 0.231 176.837 176.600 0.009 0.000 0.998 266 E CA 0.954 57.357 56.400 0.006 0.000 0.830 266 E CB -0.600 29.099 29.700 -0.001 0.000 0.751 266 E HN 0.419 nan 8.360 nan 0.000 0.491 267 N N 0.506 119.212 118.700 0.009 0.000 2.230 267 N HA 0.112 4.852 4.740 -0.000 0.000 0.202 267 N C 0.750 176.270 175.510 0.017 0.000 1.119 267 N CA 0.755 53.812 53.050 0.011 0.000 0.851 267 N CB 1.032 39.523 38.487 0.008 0.000 0.990 267 N HN 0.417 nan 8.380 nan 0.000 0.497 268 G N 0.354 109.167 108.800 0.021 0.000 2.147 268 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 268 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 268 G C -0.260 174.659 174.900 0.032 0.000 1.005 268 G CA 0.164 45.281 45.100 0.028 0.000 0.713 268 G HN 0.181 nan 8.290 nan 0.000 0.515 269 V N 0.497 120.428 119.914 0.028 0.000 2.409 269 V HA 0.779 4.899 4.120 -0.000 0.000 0.291 269 V C 1.081 177.196 176.094 0.034 0.000 1.020 269 V CA -0.148 62.170 62.300 0.030 0.000 0.848 269 V CB 1.342 33.178 31.823 0.022 0.000 0.990 269 V HN 0.659 nan 8.190 nan 0.000 0.430 270 G N 5.131 113.959 108.800 0.046 0.000 2.543 270 G HA2 0.565 4.525 3.960 -0.000 0.000 0.290 270 G HA3 0.565 4.525 3.960 -0.000 0.000 0.290 270 G C -2.823 172.107 174.900 0.050 0.000 1.310 270 G CA -1.607 43.526 45.100 0.055 0.000 1.025 270 G HN 0.547 nan 8.290 nan 0.000 0.502 271 P HA 0.179 nan 4.420 nan 0.000 0.265 271 P C -0.488 176.849 177.300 0.062 0.000 1.193 271 P CA 0.228 63.356 63.100 0.048 0.000 0.765 271 P CB 0.594 32.329 31.700 0.058 0.000 0.823 272 L N 3.101 124.352 121.223 0.048 0.000 2.325 272 L HA 0.412 4.752 4.340 -0.000 0.000 0.278 272 L C -0.227 176.687 176.870 0.073 0.000 1.023 272 L CA -0.767 54.109 54.840 0.060 0.000 0.811 272 L CB 1.540 43.614 42.059 0.025 0.000 1.249 272 L HN 0.322 nan 8.230 nan 0.000 0.431 273 C N 2.416 121.787 119.300 0.118 0.000 2.200 273 C HA 0.132 4.592 4.460 -0.000 0.000 0.328 273 C C 1.620 176.684 174.990 0.123 0.000 1.148 273 C CA -0.615 58.483 59.018 0.133 0.000 1.624 273 C CB 0.030 27.878 27.740 0.180 0.000 2.167 273 C HN 0.862 nan 8.230 nan 0.000 0.484 274 K N 2.023 122.474 120.400 0.085 0.000 2.228 274 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 274 K C 1.647 178.360 176.600 0.188 0.000 1.051 274 K CA 1.148 57.482 56.287 0.079 0.000 0.960 274 K CB 0.057 32.544 32.500 -0.023 0.000 0.743 274 K HN 0.818 nan 8.250 nan 0.000 0.458 275 G N -0.118 108.775 108.800 0.156 0.000 3.453 275 G HA2 0.035 3.995 3.960 -0.000 0.000 0.263 275 G HA3 0.035 3.995 3.960 -0.000 0.000 0.263 275 G C -0.663 174.310 174.900 0.123 0.000 1.060 275 G CA -0.233 44.957 45.100 0.149 0.000 0.793 275 G HN 0.397 nan 8.290 nan 0.000 0.532 276 E N -1.097 119.190 120.200 0.144 0.000 2.539 276 E HA -0.160 4.190 4.350 -0.000 0.000 0.253 276 E C 0.662 177.283 176.600 0.036 0.000 1.145 276 E CA 0.425 56.908 56.400 0.138 0.000 0.738 276 E CB -1.294 28.508 29.700 0.169 0.000 1.308 276 E HN 0.495 nan 8.360 nan 0.000 0.409 277 G N 0.664 109.470 108.800 0.010 0.000 2.702 277 G HA2 0.541 4.501 3.960 -0.000 0.000 0.295 277 G HA3 0.541 4.501 3.960 -0.000 0.000 0.295 277 G C -0.972 173.833 174.900 -0.158 0.000 1.446 277 G CA -0.807 44.215 45.100 -0.130 0.000 0.983 277 G HN 0.053 nan 8.290 nan 0.000 0.520 278 L N 2.431 123.518 121.223 -0.228 0.000 2.326 278 L HA 0.665 5.005 4.340 -0.000 0.000 0.278 278 L C -1.216 175.473 176.870 -0.301 0.000 1.092 278 L CA -1.027 53.719 54.840 -0.157 0.000 0.810 278 L CB 0.437 42.395 42.059 -0.167 0.000 1.153 278 L HN 0.474 nan 8.230 nan 0.000 0.439 279 Y N 5.506 125.737 120.300 -0.115 0.000 2.331 279 Y HA 0.562 5.112 4.550 -0.000 0.000 0.338 279 Y C -0.425 175.374 175.900 -0.167 0.000 0.976 279 Y CA -0.526 57.490 58.100 -0.139 0.000 1.137 279 Y CB 1.310 39.696 38.460 -0.124 0.000 1.172 279 Y HN 0.400 nan 8.280 nan 0.000 0.478 280 L N 3.436 124.577 121.223 -0.136 0.000 2.322 280 L HA 0.694 5.034 4.340 -0.000 0.000 0.281 280 L C -0.472 176.326 176.870 -0.119 0.000 1.014 280 L CA -0.486 54.163 54.840 -0.319 0.000 0.815 280 L CB 1.716 43.283 42.059 -0.820 0.000 1.247 280 L HN 0.563 nan 8.230 nan 0.000 0.421 281 S N 1.583 117.328 115.700 0.074 0.000 2.549 281 S HA 0.815 5.285 4.470 -0.000 0.000 0.280 281 S C -0.799 174.114 174.600 0.522 0.000 1.109 281 S CA -0.737 57.602 58.200 0.232 0.000 0.905 281 S CB 2.229 65.473 63.200 0.073 0.000 1.081 281 S HN 0.867 nan 8.310 nan 0.000 0.477 282 C N -0.193 119.465 119.300 0.597 0.000 3.231 282 C HA 0.912 5.372 4.460 -0.000 0.000 0.343 282 C C -1.440 173.714 174.990 0.274 0.000 1.349 282 C CA -0.749 58.589 59.018 0.532 0.000 1.209 282 C CB 0.636 28.689 27.740 0.521 0.000 1.475 282 C HN 1.007 nan 8.230 nan 0.000 0.460 283 V N 1.187 121.117 119.914 0.027 0.000 2.789 283 V HA 0.654 4.774 4.120 -0.000 0.000 0.300 283 V C -2.060 173.959 176.094 -0.126 0.000 1.184 283 V CA 0.079 62.286 62.300 -0.155 0.000 0.930 283 V CB 1.961 33.496 31.823 -0.480 0.000 1.041 283 V HN 1.041 nan 8.190 nan 0.000 0.430 284 D N 7.369 127.710 120.400 -0.099 0.000 2.363 284 D HA 0.401 5.041 4.640 -0.000 0.000 0.258 284 D C -0.420 175.752 176.300 -0.214 0.000 1.259 284 D CA 0.005 53.932 54.000 -0.122 0.000 0.921 284 D CB 1.705 42.575 40.800 0.117 0.000 1.201 284 D HN 0.494 nan 8.370 nan 0.000 0.524 285 I N 2.111 122.473 120.570 -0.347 0.000 2.342 285 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 285 I C 1.546 177.520 176.117 -0.239 0.000 1.010 285 I CA -0.356 60.799 61.300 -0.241 0.000 1.308 285 I CB 1.347 39.209 38.000 -0.230 0.000 1.400 285 I HN 0.118 nan 8.210 nan 0.000 0.488 286 M N 4.064 123.600 119.600 -0.107 0.000 2.510 286 M HA 0.293 4.773 4.480 -0.000 0.000 0.256 286 M C 0.913 177.176 176.300 -0.062 0.000 1.132 286 M CA 0.233 55.509 55.300 -0.040 0.000 1.105 286 M CB -0.469 32.115 32.600 -0.027 0.000 1.375 286 M HN 0.889 nan 8.290 nan 0.000 0.477 287 G N -0.875 107.857 108.800 -0.113 0.000 2.250 287 G HA2 0.007 3.967 3.960 -0.000 0.000 0.252 287 G HA3 0.007 3.967 3.960 -0.000 0.000 0.252 287 G C -1.956 172.800 174.900 -0.239 0.000 1.325 287 G CA -0.929 43.992 45.100 -0.298 0.000 1.091 287 G HN 0.229 nan 8.290 nan 0.000 0.476 288 W N 0.690 122.075 121.300 0.141 0.000 2.962 288 W HA 0.685 5.345 4.660 -0.000 0.000 0.341 288 W C 0.413 177.003 176.519 0.118 0.000 1.155 288 W CA -0.693 56.726 57.345 0.122 0.000 1.165 288 W CB 1.890 31.351 29.460 0.001 0.000 1.435 288 W HN 0.963 nan 8.180 nan 0.000 0.546 289 R N 0.002 120.760 120.500 0.430 0.000 2.668 289 R HA 0.822 5.162 4.340 -0.000 0.000 0.279 289 R C -1.441 174.870 176.300 0.017 0.000 0.976 289 R CA -0.713 55.516 56.100 0.215 0.000 0.978 289 R CB 1.554 31.970 30.300 0.193 0.000 1.133 289 R HN 0.147 nan 8.270 nan 0.000 0.484 290 V N 1.916 121.762 119.914 -0.113 0.000 2.487 290 V HA 0.310 4.430 4.120 -0.000 0.000 0.298 290 V C 0.460 176.489 176.094 -0.108 0.000 1.028 290 V CA -0.726 61.430 62.300 -0.239 0.000 0.860 290 V CB 1.536 33.136 31.823 -0.371 0.000 0.991 290 V HN 1.059 nan 8.190 nan 0.000 0.427 291 T N 2.108 116.636 114.554 -0.043 0.000 2.788 291 T HA 0.316 4.666 4.350 -0.000 0.000 0.280 291 T C 0.849 175.498 174.700 -0.084 0.000 0.984 291 T CA -0.412 61.666 62.100 -0.036 0.000 0.972 291 T CB 0.830 69.727 68.868 0.048 0.000 1.039 291 T HN 0.573 nan 8.240 nan 0.000 0.530 292 R N 0.515 120.935 120.500 -0.132 0.000 2.310 292 R HA 0.154 4.494 4.340 -0.000 0.000 0.202 292 R C -0.077 176.147 176.300 -0.125 0.000 0.933 292 R CA -0.015 55.981 56.100 -0.173 0.000 1.054 292 R CB -0.076 30.027 30.300 -0.328 0.000 0.985 292 R HN 0.531 nan 8.270 nan 0.000 0.489 293 N N 1.123 119.766 118.700 -0.096 0.000 2.609 293 N HA 0.054 4.794 4.740 -0.000 0.000 0.234 293 N C -0.839 174.632 175.510 -0.064 0.000 1.001 293 N CA -0.431 52.514 53.050 -0.175 0.000 0.926 293 N CB 0.861 39.252 38.487 -0.160 0.000 1.130 293 N HN 0.017 nan 8.380 nan 0.000 0.510 294 Y N 0.191 120.478 120.300 -0.022 0.000 3.491 294 Y HA -0.269 4.281 4.550 -0.000 0.000 0.215 294 Y C 0.029 175.915 175.900 -0.024 0.000 1.219 294 Y CA 0.144 58.228 58.100 -0.026 0.000 1.485 294 Y CB -2.605 35.840 38.460 -0.026 0.000 1.450 294 Y HN 0.581 nan 8.280 nan 0.000 0.603 295 D N -2.524 117.944 120.400 0.114 0.000 2.751 295 D HA -0.155 4.485 4.640 -0.000 0.000 0.233 295 D C -0.015 176.357 176.300 0.120 0.000 1.149 295 D CA 1.039 55.082 54.000 0.071 0.000 0.682 295 D CB -0.967 39.882 40.800 0.082 0.000 1.068 295 D HN 0.262 nan 8.370 nan 0.000 0.429 296 V N 0.838 120.800 119.914 0.080 0.000 2.529 296 V HA 0.025 4.145 4.120 -0.000 0.000 0.292 296 V C 0.839 176.961 176.094 0.047 0.000 1.028 296 V CA 0.354 62.684 62.300 0.049 0.000 1.074 296 V CB 0.754 32.581 31.823 0.006 0.000 0.958 296 V HN 0.219 nan 8.190 nan 0.000 0.481 297 H N 3.537 122.456 119.070 -0.251 0.000 2.472 297 H HA 0.580 5.136 4.556 -0.000 0.000 0.335 297 H C -0.157 175.035 175.328 -0.227 0.000 1.136 297 H CA -0.414 55.484 56.048 -0.249 0.000 1.264 297 H CB 0.821 30.193 29.762 -0.649 0.000 1.486 297 H HN 0.646 nan 8.280 nan 0.000 0.517 298 H N 2.041 121.230 119.070 0.198 0.000 2.744 298 H HA 0.032 4.588 4.556 -0.000 0.000 0.339 298 H C -0.634 175.036 175.328 0.570 0.000 1.004 298 H CA -0.749 55.499 56.048 0.334 0.000 1.257 298 H CB 0.925 30.863 29.762 0.293 0.000 1.552 298 H HN 0.611 nan 8.280 nan 0.000 0.522 299 W N 2.407 124.092 121.300 0.642 0.000 2.158 299 W HA 0.148 4.808 4.660 0.000 0.000 0.339 299 W C 0.861 177.586 176.519 0.344 0.000 1.294 299 W CA -0.047 57.548 57.345 0.417 0.000 1.231 299 W CB 0.493 30.102 29.460 0.249 0.000 1.143 299 W HN 0.334 nan 8.180 nan 0.000 0.571 300 R N 2.009 122.717 120.500 0.347 0.000 2.534 300 R HA 0.687 5.027 4.340 -0.000 0.000 0.301 300 R C -0.470 175.734 176.300 -0.161 0.000 0.961 300 R CA -0.669 55.342 56.100 -0.148 0.000 0.871 300 R CB 1.085 31.172 30.300 -0.356 0.000 1.170 300 R HN 0.557 nan 8.270 nan 0.000 0.446 301 G N 3.134 111.773 108.800 -0.268 0.000 2.533 301 G HA2 0.674 4.634 3.960 -0.000 0.000 0.304 301 G HA3 0.674 4.634 3.960 -0.000 0.000 0.304 301 G C -1.488 173.277 174.900 -0.226 0.000 1.263 301 G CA -0.666 44.322 45.100 -0.187 0.000 0.964 301 G HN 0.446 nan 8.290 nan 0.000 0.479 302 L N 1.411 122.551 121.223 -0.138 0.000 2.370 302 L HA 0.519 4.859 4.340 -0.000 0.000 0.266 302 L C -2.074 174.759 176.870 -0.061 0.000 1.002 302 L CA -2.143 52.621 54.840 -0.128 0.000 0.818 302 L CB 3.217 45.210 42.059 -0.111 0.000 1.325 302 L HN 0.352 nan 8.230 nan 0.000 0.418 303 P HA 0.147 nan 4.420 nan 0.000 0.272 303 P C -1.372 175.954 177.300 0.045 0.000 1.223 303 P CA -0.441 62.679 63.100 0.033 0.000 0.784 303 P CB 1.219 32.936 31.700 0.028 0.000 0.923 304 R N 2.021 122.594 120.500 0.121 0.000 2.534 304 R HA 0.368 4.708 4.340 -0.000 0.000 0.301 304 R C -1.367 175.019 176.300 0.142 0.000 0.961 304 R CA -0.831 55.293 56.100 0.040 0.000 0.871 304 R CB 1.023 31.295 30.300 -0.047 0.000 1.170 304 R HN 0.488 nan 8.270 nan 0.000 0.446 305 Y N 4.339 124.579 120.300 -0.101 0.000 2.352 305 Y HA 0.510 5.060 4.550 -0.000 0.000 0.326 305 Y C -1.653 174.155 175.900 -0.153 0.000 1.166 305 Y CA -0.471 57.640 58.100 0.018 0.000 1.182 305 Y CB 0.926 39.376 38.460 -0.017 0.000 1.216 305 Y HN 0.503 nan 8.280 nan 0.000 0.474 306 F N 4.366 123.842 119.950 -0.791 0.000 2.556 306 F HA 0.443 4.970 4.527 -0.000 0.000 0.314 306 F C -0.721 174.563 175.800 -0.861 0.000 1.106 306 F CA -1.033 56.598 58.000 -0.614 0.000 0.911 306 F CB 2.161 40.989 39.000 -0.287 0.000 1.190 306 F HN 0.376 nan 8.300 nan 0.000 0.448 307 K N 4.293 124.504 120.400 -0.314 0.000 2.621 307 K HA 0.626 4.946 4.320 -0.000 0.000 0.233 307 K C -1.757 174.824 176.600 -0.031 0.000 0.972 307 K CA -0.386 55.803 56.287 -0.162 0.000 0.988 307 K CB 0.634 33.145 32.500 0.017 0.000 1.187 307 K HN 0.560 nan 8.250 nan 0.000 0.471 308 I N 2.614 123.166 120.570 -0.030 0.000 2.353 308 I HA 0.205 4.375 4.170 -0.000 0.000 0.293 308 I C 0.152 176.256 176.117 -0.022 0.000 0.992 308 I CA -0.193 61.105 61.300 -0.003 0.000 1.268 308 I CB 1.959 39.950 38.000 -0.015 0.000 1.387 308 I HN 0.423 nan 8.210 nan 0.000 0.478 309 T N 7.385 121.944 114.554 0.009 0.000 2.744 309 T HA 0.701 5.051 4.350 -0.000 0.000 0.291 309 T C -0.268 174.448 174.700 0.026 0.000 0.957 309 T CA -0.329 61.778 62.100 0.013 0.000 1.002 309 T CB 0.345 69.233 68.868 0.034 0.000 0.919 309 T HN 0.202 nan 8.240 nan 0.000 0.468 310 L N 3.708 124.940 121.223 0.016 0.000 2.354 310 L HA 0.769 5.109 4.340 -0.000 0.000 0.264 310 L C 0.127 177.157 176.870 0.267 0.000 1.008 310 L CA -1.028 53.870 54.840 0.095 0.000 0.819 310 L CB 1.905 43.928 42.059 -0.060 0.000 1.339 310 L HN 0.606 nan 8.230 nan 0.000 0.420 311 R N 0.010 120.729 120.500 0.365 0.000 2.774 311 R HA 0.640 4.980 4.340 -0.000 0.000 0.272 311 R C -1.444 174.943 176.300 0.145 0.000 1.000 311 R CA -1.098 55.177 56.100 0.291 0.000 0.906 311 R CB 1.691 32.066 30.300 0.124 0.000 1.227 311 R HN 0.346 nan 8.270 nan 0.000 0.468 312 K N 1.516 121.800 120.400 -0.194 0.000 2.249 312 K HA 0.258 4.578 4.320 -0.000 0.000 0.280 312 K C -0.441 175.952 176.600 -0.344 0.000 1.033 312 K CA -0.598 55.380 56.287 -0.515 0.000 0.946 312 K CB 1.220 33.265 32.500 -0.759 0.000 1.005 312 K HN 0.381 nan 8.250 nan 0.000 0.469 313 R N 2.237 122.546 120.500 -0.320 0.000 2.599 313 R HA 0.266 4.606 4.340 -0.000 0.000 0.295 313 R C -1.640 174.538 176.300 -0.204 0.000 0.963 313 R CA -0.481 55.507 56.100 -0.186 0.000 0.883 313 R CB 0.742 31.008 30.300 -0.058 0.000 1.171 313 R HN 0.514 nan 8.270 nan 0.000 0.450 314 W N 5.108 126.376 121.300 -0.054 0.000 2.287 314 W HA 0.404 5.064 4.660 -0.000 0.000 0.313 314 W C -0.170 176.330 176.519 -0.033 0.000 1.267 314 W CA -0.222 57.096 57.345 -0.046 0.000 1.201 314 W CB 1.311 30.750 29.460 -0.036 0.000 1.196 314 W HN 0.342 nan 8.180 nan 0.000 0.536 315 V N 0.923 120.976 119.914 0.232 0.000 2.971 315 V HA 0.553 4.673 4.120 -0.000 0.000 0.309 315 V C -0.723 175.437 176.094 0.111 0.000 1.130 315 V CA -1.884 60.489 62.300 0.122 0.000 0.964 315 V CB 1.787 33.638 31.823 0.047 0.000 1.029 315 V HN 0.278 nan 8.190 nan 0.000 0.427 316 K N 2.880 123.318 120.400 0.063 0.000 2.339 316 K HA 0.322 4.642 4.320 -0.000 0.000 0.286 316 K C 0.328 176.950 176.600 0.037 0.000 1.050 316 K CA 0.178 56.494 56.287 0.047 0.000 0.956 316 K CB 0.033 32.547 32.500 0.023 0.000 0.990 316 K HN 0.904 nan 8.250 nan 0.000 0.475 317 N N 5.519 124.260 118.700 0.067 0.000 2.090 317 N HA -0.132 4.608 4.740 -0.000 0.000 0.287 317 N C -1.847 173.672 175.510 0.015 0.000 1.383 317 N CA -0.381 52.724 53.050 0.092 0.000 0.899 317 N CB 0.506 39.069 38.487 0.126 0.000 1.251 317 N HN 0.414 nan 8.380 nan 0.000 0.492 318 P HA 0.026 nan 4.420 nan 0.000 0.261 318 P C -0.663 176.489 177.300 -0.247 0.000 1.268 318 P CA 0.080 63.056 63.100 -0.206 0.000 0.833 318 P CB 0.063 31.582 31.700 -0.301 0.000 1.231 319 Y N 1.772 122.077 120.300 0.009 0.000 2.377 319 Y HA 0.287 4.837 4.550 -0.000 0.000 0.330 319 Y C -1.053 174.850 175.900 0.005 0.000 1.108 319 Y CA -1.923 56.181 58.100 0.007 0.000 1.308 319 Y CB -1.018 37.447 38.460 0.008 0.000 1.216 319 Y HN 0.011 nan 8.280 nan 0.000 0.518 320 P HA 0.000 nan 4.420 nan 0.000 0.216 320 P CA 0.000 63.150 63.100 0.083 0.000 0.800 320 P CB 0.000 31.739 31.700 0.065 0.000 0.726