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 2bui_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 1.754 122.161 120.400 0.012 0.000 2.485 2 K HA 0.263 4.583 4.320 -0.000 0.000 0.277 2 K C -0.738 175.866 176.600 0.007 0.000 0.990 2 K CA 0.634 56.926 56.287 0.008 0.000 0.994 2 K CB 0.349 32.851 32.500 0.003 0.000 0.906 2 K HN 0.490 nan 8.250 nan 0.000 0.488 3 R N 1.125 121.626 120.500 0.003 0.000 2.604 3 R HA 0.672 5.011 4.340 -0.000 0.000 0.287 3 R C -0.798 175.494 176.300 -0.012 0.000 0.970 3 R CA -0.896 55.204 56.100 0.000 0.000 0.946 3 R CB 1.881 32.182 30.300 0.001 0.000 1.127 3 R HN 0.620 nan 8.270 nan 0.000 0.473 4 A N 2.027 124.837 122.820 -0.018 0.000 2.342 4 A HA 0.674 4.994 4.320 -0.000 0.000 0.323 4 A C -0.500 177.060 177.584 -0.040 0.000 1.125 4 A CA -0.684 51.330 52.037 -0.039 0.000 0.785 4 A CB 1.235 20.204 19.000 -0.051 0.000 1.221 4 A HN 0.537 nan 8.150 nan 0.000 0.463 5 V N -0.207 119.676 119.914 -0.051 0.000 3.040 5 V HA 0.715 4.835 4.120 -0.000 0.000 0.312 5 V C -0.816 175.245 176.094 -0.054 0.000 1.115 5 V CA -1.062 61.211 62.300 -0.046 0.000 0.998 5 V CB 1.827 33.624 31.823 -0.044 0.000 1.042 5 V HN 0.616 nan 8.190 nan 0.000 0.433 6 I N 3.263 123.817 120.570 -0.026 0.000 2.297 6 I HA 0.377 4.547 4.170 -0.000 0.000 0.291 6 I C 1.168 177.333 176.117 0.080 0.000 1.033 6 I CA 0.220 61.520 61.300 -0.001 0.000 1.253 6 I CB 0.847 38.848 38.000 0.001 0.000 1.396 6 I HN 1.025 nan 8.210 nan 0.000 0.476 7 T N 1.431 116.005 114.554 0.033 0.000 3.174 7 T HA 0.562 4.912 4.350 -0.000 0.000 0.269 7 T C 0.496 175.275 174.700 0.132 0.000 1.017 7 T CA -0.379 61.743 62.100 0.037 0.000 0.899 7 T CB 0.153 69.001 68.868 -0.034 0.000 1.077 7 T HN 0.795 nan 8.240 nan 0.000 0.552 8 G N 1.248 110.185 108.800 0.228 0.000 2.442 8 G HA2 0.509 4.469 3.960 -0.000 0.000 0.296 8 G HA3 0.509 4.469 3.960 -0.000 0.000 0.296 8 G C -2.102 172.846 174.900 0.079 0.000 1.564 8 G CA -0.833 44.404 45.100 0.228 0.000 0.828 8 G HN 0.746 nan 8.290 nan 0.000 0.571 9 L N -1.475 119.778 121.223 0.049 0.000 2.540 9 L HA 1.059 5.399 4.340 -0.000 0.000 0.256 9 L C -0.051 176.797 176.870 -0.037 0.000 1.001 9 L CA -0.630 54.166 54.840 -0.074 0.000 0.843 9 L CB 1.725 43.640 42.059 -0.240 0.000 1.436 9 L HN 1.509 nan 8.230 nan 0.000 0.410 10 G N 0.613 109.378 108.800 -0.059 0.000 2.733 10 G HA2 0.784 4.744 3.960 -0.000 0.000 0.297 10 G HA3 0.784 4.744 3.960 -0.000 0.000 0.297 10 G C -2.080 172.792 174.900 -0.047 0.000 1.422 10 G CA -0.642 44.436 45.100 -0.037 0.000 0.942 10 G HN 1.032 nan 8.290 nan 0.000 0.510 11 I N 0.277 120.830 120.570 -0.027 0.000 2.908 11 I HA 0.614 4.784 4.170 -0.000 0.000 0.300 11 I C -1.569 174.537 176.117 -0.019 0.000 1.385 11 I CA -0.972 60.307 61.300 -0.035 0.000 1.004 11 I CB 2.368 40.339 38.000 -0.049 0.000 1.309 11 I HN 0.381 nan 8.210 nan 0.000 0.449 12 V N 5.892 125.780 119.914 -0.043 0.000 2.462 12 V HA 0.568 4.688 4.120 -0.000 0.000 0.288 12 V C -0.312 175.690 176.094 -0.153 0.000 1.020 12 V CA -0.183 62.066 62.300 -0.085 0.000 0.857 12 V CB 1.196 32.968 31.823 -0.085 0.000 1.013 12 V HN 0.847 nan 8.190 nan 0.000 0.431 13 S N 2.596 118.232 115.700 -0.106 0.000 2.806 13 S HA 0.500 4.970 4.470 -0.000 0.000 0.306 13 S C 0.905 175.448 174.600 -0.095 0.000 1.167 13 S CA 0.001 58.145 58.200 -0.094 0.000 0.847 13 S CB 1.782 65.008 63.200 0.044 0.000 1.216 13 S HN 0.309 nan 8.310 nan 0.000 0.532 14 S N 0.586 116.244 115.700 -0.070 0.000 2.399 14 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 14 S C 1.465 176.042 174.600 -0.039 0.000 1.022 14 S CA 1.517 59.680 58.200 -0.062 0.000 0.983 14 S CB -0.872 62.307 63.200 -0.036 0.000 0.803 14 S HN 0.739 nan 8.310 nan 0.000 0.480 15 I N -1.802 118.749 120.570 -0.032 0.000 3.889 15 I HA 0.594 4.764 4.170 -0.000 0.000 0.332 15 I C 0.440 176.541 176.117 -0.026 0.000 1.493 15 I CA -0.408 60.868 61.300 -0.041 0.000 1.158 15 I CB 0.199 38.147 38.000 -0.088 0.000 1.117 15 I HN 0.116 nan 8.210 nan 0.000 0.411 16 G N 1.082 109.872 108.800 -0.017 0.000 2.378 16 G HA2 0.032 3.992 3.960 -0.000 0.000 0.302 16 G HA3 0.032 3.992 3.960 -0.000 0.000 0.302 16 G C -0.788 174.105 174.900 -0.012 0.000 1.669 16 G CA -0.655 44.440 45.100 -0.008 0.000 0.920 16 G HN 0.024 nan 8.290 nan 0.000 0.697 17 N N 0.105 118.798 118.700 -0.011 0.000 2.280 17 N HA 0.096 4.835 4.740 -0.000 0.000 0.192 17 N C 0.340 175.854 175.510 0.006 0.000 1.109 17 N CA 0.684 53.728 53.050 -0.009 0.000 0.855 17 N CB 0.402 38.888 38.487 -0.002 0.000 0.974 17 N HN 0.823 nan 8.380 nan 0.000 0.482 18 N N -1.931 116.775 118.700 0.010 0.000 3.046 18 N HA -0.010 4.730 4.740 -0.000 0.000 0.243 18 N C 0.287 175.809 175.510 0.020 0.000 1.452 18 N CA -0.704 52.355 53.050 0.016 0.000 0.882 18 N CB 1.047 39.545 38.487 0.019 0.000 1.425 18 N HN -0.257 nan 8.380 nan 0.000 0.517 19 Q N -0.292 119.523 119.800 0.025 0.000 2.096 19 Q HA -0.290 4.050 4.340 -0.000 0.000 0.208 19 Q C 1.091 177.102 176.000 0.018 0.000 0.993 19 Q CA 2.152 57.975 55.803 0.033 0.000 0.862 19 Q CB -0.107 28.665 28.738 0.056 0.000 0.915 19 Q HN 0.716 nan 8.270 nan 0.000 0.416 20 Q N 0.009 119.813 119.800 0.008 0.000 2.020 20 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 20 Q C 2.042 178.022 176.000 -0.034 0.000 0.982 20 Q CA 1.728 57.519 55.803 -0.020 0.000 0.838 20 Q CB -0.053 28.678 28.738 -0.011 0.000 0.899 20 Q HN 0.489 nan 8.270 nan 0.000 0.423 21 E N -0.197 119.993 120.200 -0.018 0.000 2.118 21 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 21 E C 2.035 178.620 176.600 -0.027 0.000 0.992 21 E CA 1.221 57.607 56.400 -0.023 0.000 0.804 21 E CB 0.104 29.797 29.700 -0.013 0.000 0.741 21 E HN 0.123 nan 8.360 nan 0.000 0.458 22 V N 1.112 121.024 119.914 -0.003 0.000 2.358 22 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 22 V C 2.243 178.331 176.094 -0.009 0.000 1.047 22 V CA 1.283 63.592 62.300 0.016 0.000 1.035 22 V CB -0.403 31.484 31.823 0.107 0.000 0.658 22 V HN 0.256 nan 8.190 nan 0.000 0.452 23 L N 1.159 122.366 121.223 -0.026 0.000 2.012 23 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 23 L C 2.462 179.240 176.870 -0.154 0.000 1.073 23 L CA 2.538 57.329 54.840 -0.081 0.000 0.748 23 L CB -1.082 40.854 42.059 -0.206 0.000 0.891 23 L HN 0.226 nan 8.230 nan 0.000 0.431 24 A N -1.534 121.202 122.820 -0.141 0.000 1.877 24 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 24 A C 2.400 179.909 177.584 -0.126 0.000 1.186 24 A CA 2.074 54.023 52.037 -0.147 0.000 0.620 24 A CB -1.089 17.849 19.000 -0.104 0.000 0.822 24 A HN 0.541 nan 8.150 nan 0.000 0.443 25 S N -0.142 115.502 115.700 -0.092 0.000 2.359 25 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 25 S C 1.852 176.397 174.600 -0.091 0.000 1.035 25 S CA 1.513 59.662 58.200 -0.085 0.000 1.018 25 S CB -0.507 62.645 63.200 -0.080 0.000 0.876 25 S HN 0.501 nan 8.310 nan 0.000 0.448 26 L N 0.748 121.923 121.223 -0.079 0.000 2.012 26 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 26 L C 2.701 179.576 176.870 0.008 0.000 1.073 26 L CA 1.412 56.250 54.840 -0.004 0.000 0.748 26 L CB -0.443 41.719 42.059 0.172 0.000 0.891 26 L HN 0.226 nan 8.230 nan 0.000 0.431 27 R N -0.080 120.302 120.500 -0.197 0.000 2.152 27 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 27 R C 1.614 177.818 176.300 -0.160 0.000 1.117 27 R CA 1.138 57.035 56.100 -0.338 0.000 0.981 27 R CB -0.030 29.953 30.300 -0.527 0.000 0.870 27 R HN 0.462 nan 8.270 nan 0.000 0.451 28 E N -1.039 119.092 120.200 -0.116 0.000 2.481 28 E HA 0.121 4.471 4.350 -0.000 0.000 0.198 28 E C 0.485 177.055 176.600 -0.050 0.000 1.027 28 E CA 0.236 56.590 56.400 -0.077 0.000 0.900 28 E CB 1.039 30.694 29.700 -0.075 0.000 0.993 28 E HN 0.402 nan 8.360 nan 0.000 0.482 29 G N 2.952 111.726 108.800 -0.043 0.000 2.249 29 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.273 29 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.273 29 G C 0.119 174.996 174.900 -0.039 0.000 1.036 29 G CA 0.466 45.546 45.100 -0.033 0.000 0.824 29 G HN 0.237 nan 8.290 nan 0.000 0.504 30 R N 0.370 120.840 120.500 -0.049 0.000 2.347 30 R HA 0.445 4.785 4.340 -0.000 0.000 0.304 30 R C 0.764 177.039 176.300 -0.043 0.000 1.072 30 R CA 0.328 56.404 56.100 -0.041 0.000 0.980 30 R CB 0.462 30.736 30.300 -0.044 0.000 0.986 30 R HN 0.273 nan 8.270 nan 0.000 0.448 31 S N 2.006 117.690 115.700 -0.026 0.000 2.580 31 S HA 0.284 4.754 4.470 -0.000 0.000 0.274 31 S C 0.829 175.425 174.600 -0.005 0.000 1.329 31 S CA -0.132 58.058 58.200 -0.017 0.000 1.036 31 S CB 1.287 64.486 63.200 -0.002 0.000 0.919 31 S HN 0.779 nan 8.310 nan 0.000 0.515 32 G N 3.268 112.068 108.800 -0.000 0.000 3.519 32 G HA2 0.257 4.217 3.960 -0.000 0.000 0.269 32 G HA3 0.257 4.217 3.960 -0.000 0.000 0.269 32 G C -0.041 174.892 174.900 0.055 0.000 1.028 32 G CA -0.278 44.830 45.100 0.013 0.000 0.809 32 G HN 0.598 nan 8.290 nan 0.000 0.521 33 I N 2.809 123.422 120.570 0.073 0.000 2.395 33 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 33 I C 0.614 176.827 176.117 0.159 0.000 1.023 33 I CA -0.430 60.949 61.300 0.130 0.000 1.350 33 I CB 0.375 38.440 38.000 0.108 0.000 1.409 33 I HN 0.071 nan 8.210 nan 0.000 0.507 34 T N 2.733 117.432 114.554 0.241 0.000 2.907 34 T HA 0.566 4.916 4.350 -0.000 0.000 0.290 34 T C -0.432 174.391 174.700 0.205 0.000 1.066 34 T CA -0.722 61.519 62.100 0.235 0.000 1.012 34 T CB 1.876 70.901 68.868 0.263 0.000 1.184 34 T HN 0.218 nan 8.240 nan 0.000 0.522 35 F N 1.423 121.399 119.950 0.043 0.000 2.459 35 F HA 0.551 5.078 4.527 -0.000 0.000 0.346 35 F C 0.444 176.125 175.800 -0.198 0.000 1.128 35 F CA -0.128 57.843 58.000 -0.047 0.000 1.268 35 F CB 0.944 39.932 39.000 -0.019 0.000 1.161 35 F HN 0.676 nan 8.300 nan 0.000 0.583 36 S N 4.534 119.344 115.700 -1.485 0.000 2.733 36 S HA 0.197 4.667 4.470 -0.000 0.000 0.307 36 S C 0.447 174.207 174.600 -1.401 0.000 1.127 36 S CA -0.666 56.641 58.200 -1.488 0.000 1.097 36 S CB 1.236 63.109 63.200 -2.212 0.000 1.003 36 S HN 0.867 nan 8.310 nan 0.000 0.477 37 Q N 3.334 122.649 119.800 -0.808 0.000 2.124 37 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 37 Q C 1.744 177.508 176.000 -0.392 0.000 0.977 37 Q CA 2.292 57.857 55.803 -0.396 0.000 0.850 37 Q CB -0.180 28.526 28.738 -0.054 0.000 0.901 37 Q HN 0.902 nan 8.270 nan 0.000 0.429 38 E N -0.489 119.477 120.200 -0.390 0.000 2.058 38 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 38 E C 1.842 178.273 176.600 -0.282 0.000 0.997 38 E CA 1.388 57.642 56.400 -0.243 0.000 0.801 38 E CB -0.194 29.480 29.700 -0.045 0.000 0.746 38 E HN 0.461 nan 8.360 nan 0.000 0.450 39 L N 0.561 121.526 121.223 -0.431 0.000 2.083 39 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 39 L C 2.845 179.536 176.870 -0.298 0.000 1.083 39 L CA 1.369 56.059 54.840 -0.251 0.000 0.752 39 L CB -0.503 41.400 42.059 -0.261 0.000 0.899 39 L HN 0.157 nan 8.230 nan 0.000 0.433 40 K N 0.220 120.298 120.400 -0.537 0.000 2.057 40 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 40 K C 1.679 178.044 176.600 -0.391 0.000 1.049 40 K CA 1.649 57.497 56.287 -0.731 0.000 0.931 40 K CB 0.048 32.058 32.500 -0.816 0.000 0.714 40 K HN 0.195 nan 8.250 nan 0.000 0.440 41 D N 0.357 120.568 120.400 -0.316 0.000 2.117 41 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 41 D C 1.900 178.018 176.300 -0.304 0.000 0.987 41 D CA 1.650 55.496 54.000 -0.257 0.000 0.829 41 D CB -0.267 40.397 40.800 -0.226 0.000 0.961 41 D HN 0.343 nan 8.370 nan 0.000 0.460 42 S N -0.662 114.814 115.700 -0.373 0.000 2.537 42 S HA 0.057 4.527 4.470 -0.000 0.000 0.240 42 S C 1.708 176.145 174.600 -0.272 0.000 0.981 42 S CA 1.108 59.006 58.200 -0.502 0.000 0.948 42 S CB -0.120 62.778 63.200 -0.504 0.000 0.759 42 S HN 0.370 nan 8.310 nan 0.000 0.531 43 G N 0.392 109.087 108.800 -0.177 0.000 2.141 43 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.231 43 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.231 43 G C -0.030 174.874 174.900 0.006 0.000 0.984 43 G CA 0.172 45.223 45.100 -0.082 0.000 0.660 43 G HN 0.508 nan 8.290 nan 0.000 0.525 44 M N -0.811 118.811 119.600 0.036 0.000 2.197 44 M HA 0.462 4.942 4.480 -0.000 0.000 0.305 44 M C 1.844 178.279 176.300 0.225 0.000 1.162 44 M CA -0.180 55.192 55.300 0.120 0.000 1.099 44 M CB 0.613 33.295 32.600 0.136 0.000 1.430 44 M HN 0.127 nan 8.290 nan 0.000 0.481 45 R N -0.489 120.090 120.500 0.131 0.000 2.189 45 R HA 0.106 4.446 4.340 -0.000 0.000 0.203 45 R C 0.416 176.610 176.300 -0.176 0.000 1.012 45 R CA 0.230 56.341 56.100 0.018 0.000 1.015 45 R CB 0.253 30.545 30.300 -0.012 0.000 0.938 45 R HN 0.550 nan 8.270 nan 0.000 0.472 46 S N 0.749 116.441 115.700 -0.014 0.000 2.411 46 S HA 0.122 4.591 4.470 -0.000 0.000 0.294 46 S C -0.205 174.451 174.600 0.094 0.000 1.115 46 S CA -0.585 57.591 58.200 -0.039 0.000 1.071 46 S CB 0.176 63.371 63.200 -0.008 0.000 0.967 46 S HN 0.340 nan 8.310 nan 0.000 0.488 47 H N 3.259 122.280 119.070 -0.081 0.000 2.472 47 H HA 0.366 4.922 4.556 -0.000 0.000 0.287 47 H C -0.052 175.071 175.328 -0.343 0.000 1.112 47 H CA -0.705 55.188 56.048 -0.257 0.000 1.021 47 H CB 0.326 29.997 29.762 -0.151 0.000 1.635 47 H HN 0.452 nan 8.280 nan 0.000 0.559 48 V N -1.802 118.062 119.914 -0.083 0.000 2.876 48 V HA 0.642 4.762 4.120 -0.000 0.000 0.312 48 V C -1.347 174.813 176.094 0.110 0.000 1.085 48 V CA -0.961 61.318 62.300 -0.035 0.000 0.945 48 V CB 2.161 34.036 31.823 0.086 0.000 1.017 48 V HN 0.418 nan 8.190 nan 0.000 0.428 49 W N 1.351 122.660 121.300 0.014 0.000 3.005 49 W HA 0.834 5.494 4.660 -0.000 0.000 0.343 49 W C -0.292 176.243 176.519 0.026 0.000 1.243 49 W CA -1.720 55.638 57.345 0.022 0.000 1.186 49 W CB 0.877 30.346 29.460 0.016 0.000 1.453 49 W HN 1.045 nan 8.180 nan 0.000 0.575 50 G N 2.005 110.914 108.800 0.183 0.000 3.161 50 G HA2 0.366 4.326 3.960 -0.000 0.000 0.328 50 G HA3 0.366 4.326 3.960 -0.000 0.000 0.328 50 G C -0.453 174.322 174.900 -0.208 0.000 1.037 50 G CA -0.842 44.269 45.100 0.020 0.000 1.416 50 G HN 0.610 nan 8.290 nan 0.000 0.486 51 N N -0.152 118.347 118.700 -0.336 0.000 2.530 51 N HA 0.422 5.162 4.740 -0.000 0.000 0.277 51 N C 0.153 175.496 175.510 -0.279 0.000 1.168 51 N CA -0.921 51.813 53.050 -0.527 0.000 0.979 51 N CB 1.993 40.099 38.487 -0.634 0.000 1.141 51 N HN 0.148 nan 8.380 nan 0.000 0.459 52 V N -0.942 118.785 119.914 -0.312 0.000 2.488 52 V HA 0.232 4.352 4.120 -0.000 0.000 0.277 52 V C -0.107 175.911 176.094 -0.126 0.000 1.046 52 V CA -0.581 61.564 62.300 -0.258 0.000 0.986 52 V CB 0.416 31.979 31.823 -0.434 0.000 0.989 52 V HN 0.685 nan 8.190 nan 0.000 0.475 53 K N 5.487 125.843 120.400 -0.073 0.000 2.319 53 K HA 0.659 4.979 4.320 -0.000 0.000 0.237 53 K C -0.940 175.658 176.600 -0.003 0.000 1.113 53 K CA -0.301 55.977 56.287 -0.016 0.000 1.072 53 K CB 0.765 33.266 32.500 0.002 0.000 1.734 53 K HN 0.685 nan 8.250 nan 0.000 0.429 54 L N 0.329 121.558 121.223 0.010 0.000 2.505 54 L HA 0.352 4.692 4.340 -0.000 0.000 0.259 54 L C -1.792 175.107 176.870 0.049 0.000 0.952 54 L CA -0.506 54.352 54.840 0.029 0.000 0.840 54 L CB 2.090 44.167 42.059 0.030 0.000 1.358 54 L HN 0.192 nan 8.230 nan 0.000 0.409 55 D N 1.926 122.352 120.400 0.044 0.000 2.396 55 D HA 0.227 4.867 4.640 -0.000 0.000 0.225 55 D C 0.699 177.027 176.300 0.045 0.000 1.121 55 D CA 0.277 54.303 54.000 0.043 0.000 0.853 55 D CB 1.479 42.299 40.800 0.033 0.000 1.043 55 D HN 0.745 nan 8.370 nan 0.000 0.500 56 T N -0.159 114.427 114.554 0.052 0.000 3.148 56 T HA 0.012 4.362 4.350 -0.000 0.000 0.253 56 T C 0.915 175.623 174.700 0.012 0.000 1.134 56 T CA -0.184 61.944 62.100 0.046 0.000 1.051 56 T CB -0.310 68.593 68.868 0.059 0.000 0.959 56 T HN 0.217 nan 8.240 nan 0.000 0.525 57 T N 2.617 117.175 114.554 0.007 0.000 2.866 57 T HA 0.383 4.733 4.350 -0.000 0.000 0.293 57 T C 1.530 176.224 174.700 -0.011 0.000 1.005 57 T CA 0.909 63.003 62.100 -0.009 0.000 1.162 57 T CB -0.050 68.816 68.868 -0.003 0.000 0.968 57 T HN 0.730 nan 8.240 nan 0.000 0.530 58 G N 2.756 111.539 108.800 -0.029 0.000 2.168 58 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.263 58 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.263 58 G C 0.833 175.723 174.900 -0.018 0.000 0.977 58 G CA 0.390 45.474 45.100 -0.027 0.000 0.659 58 G HN 0.705 nan 8.290 nan 0.000 0.533 59 L N -0.717 120.499 121.223 -0.012 0.000 2.341 59 L HA 0.365 4.705 4.340 -0.000 0.000 0.214 59 L C 1.276 178.146 176.870 0.000 0.000 1.115 59 L CA 0.705 55.556 54.840 0.018 0.000 0.820 59 L CB -0.044 42.044 42.059 0.049 0.000 0.944 59 L HN 0.292 nan 8.230 nan 0.000 0.452 60 I N -1.212 119.307 120.570 -0.086 0.000 2.608 60 I HA 0.213 4.383 4.170 -0.000 0.000 0.295 60 I C -0.556 175.452 176.117 -0.182 0.000 1.049 60 I CA -0.973 60.205 61.300 -0.203 0.000 1.063 60 I CB 2.151 39.895 38.000 -0.426 0.000 1.248 60 I HN -0.151 nan 8.210 nan 0.000 0.424 61 D N 3.783 124.077 120.400 -0.176 0.000 2.506 61 D HA -0.027 4.613 4.640 -0.000 0.000 0.234 61 D C 1.074 177.278 176.300 -0.160 0.000 1.143 61 D CA 0.319 54.239 54.000 -0.132 0.000 0.871 61 D CB 1.048 41.785 40.800 -0.105 0.000 1.190 61 D HN 0.446 nan 8.370 nan 0.000 0.459 62 R N 1.800 122.222 120.500 -0.129 0.000 2.091 62 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 62 R C 1.690 177.880 176.300 -0.184 0.000 1.136 62 R CA 1.309 57.318 56.100 -0.152 0.000 0.959 62 R CB 0.184 30.415 30.300 -0.115 0.000 0.856 62 R HN 0.253 nan 8.270 nan 0.000 0.437 63 K N -0.427 119.895 120.400 -0.129 0.000 2.365 63 K HA -0.017 4.303 4.320 -0.000 0.000 0.199 63 K C 1.739 178.314 176.600 -0.042 0.000 1.045 63 K CA 0.776 57.007 56.287 -0.093 0.000 0.962 63 K CB 0.195 32.680 32.500 -0.025 0.000 0.759 63 K HN 0.159 nan 8.250 nan 0.000 0.469 64 V N -0.013 119.839 119.914 -0.103 0.000 2.581 64 V HA -0.029 4.091 4.120 -0.000 0.000 0.240 64 V C 2.091 178.088 176.094 -0.162 0.000 1.054 64 V CA 0.600 62.843 62.300 -0.096 0.000 1.076 64 V CB 0.138 31.822 31.823 -0.232 0.000 0.748 64 V HN -0.024 nan 8.190 nan 0.000 0.474 65 V N 2.516 122.264 119.914 -0.277 0.000 2.759 65 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 65 V C 2.721 178.615 176.094 -0.333 0.000 1.080 65 V CA 2.080 64.198 62.300 -0.303 0.000 1.101 65 V CB -0.654 30.996 31.823 -0.289 0.000 0.698 65 V HN 0.722 nan 8.190 nan 0.000 0.477 66 R N -1.027 119.200 120.500 -0.455 0.000 2.249 66 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 66 R C 1.717 177.453 176.300 -0.940 0.000 1.121 66 R CA 2.113 57.740 56.100 -0.787 0.000 0.997 66 R CB -0.701 28.917 30.300 -1.138 0.000 0.867 66 R HN 0.519 nan 8.270 nan 0.000 0.465 67 F N 0.814 120.503 119.950 -0.436 0.000 2.749 67 F HA 0.342 4.869 4.527 -0.000 0.000 0.300 67 F C 0.896 176.539 175.800 -0.262 0.000 1.103 67 F CA -0.347 57.488 58.000 -0.275 0.000 1.342 67 F CB 0.250 39.156 39.000 -0.157 0.000 1.098 67 F HN -0.116 nan 8.300 nan 0.000 0.586 68 M N -0.097 119.405 119.600 -0.164 0.000 2.409 68 M HA 0.348 4.828 4.480 -0.000 0.000 0.329 68 M C 0.333 176.466 176.300 -0.279 0.000 1.180 68 M CA -0.615 54.575 55.300 -0.182 0.000 1.053 68 M CB 1.484 33.983 32.600 -0.168 0.000 1.586 68 M HN -0.055 nan 8.290 nan 0.000 0.461 69 S N -0.680 114.906 115.700 -0.191 0.000 2.718 69 S HA 0.355 4.825 4.470 -0.000 0.000 0.300 69 S C 0.268 174.803 174.600 -0.108 0.000 1.117 69 S CA -0.915 57.236 58.200 -0.083 0.000 1.002 69 S CB 1.255 64.477 63.200 0.036 0.000 1.092 69 S HN 0.674 nan 8.310 nan 0.000 0.542 70 D N 1.200 121.528 120.400 -0.119 0.000 2.158 70 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 70 D C 2.187 178.137 176.300 -0.584 0.000 0.995 70 D CA 1.800 55.526 54.000 -0.457 0.000 0.846 70 D CB -0.821 39.702 40.800 -0.462 0.000 0.941 70 D HN 0.693 nan 8.370 nan 0.000 0.456 71 A N 0.741 123.430 122.820 -0.219 0.000 1.892 71 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 71 A C 2.497 180.064 177.584 -0.028 0.000 1.188 71 A CA 2.152 54.157 52.037 -0.053 0.000 0.631 71 A CB -0.611 18.406 19.000 0.029 0.000 0.822 71 A HN 0.196 nan 8.150 nan 0.000 0.447 72 S N -0.387 115.286 115.700 -0.045 0.000 2.383 72 S HA -0.049 4.421 4.470 -0.000 0.000 0.227 72 S C 1.798 176.420 174.600 0.037 0.000 1.026 72 S CA 1.231 59.441 58.200 0.017 0.000 0.981 72 S CB -0.463 62.737 63.200 0.001 0.000 0.818 72 S HN 0.534 nan 8.310 nan 0.000 0.472 73 I N 0.581 121.092 120.570 -0.099 0.000 2.127 73 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 73 I C 2.102 178.285 176.117 0.111 0.000 1.075 73 I CA 1.441 62.696 61.300 -0.075 0.000 1.334 73 I CB -0.496 37.363 38.000 -0.235 0.000 1.040 73 I HN 0.260 nan 8.210 nan 0.000 0.405 74 Y N 0.842 121.186 120.300 0.074 0.000 2.165 74 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 74 Y C 2.655 178.605 175.900 0.082 0.000 1.155 74 Y CA 0.833 58.971 58.100 0.063 0.000 1.164 74 Y CB -1.409 37.066 38.460 0.024 0.000 0.978 74 Y HN 0.144 nan 8.280 nan 0.000 0.513 75 A N -0.767 122.200 122.820 0.245 0.000 1.969 75 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 75 A C 2.169 179.861 177.584 0.180 0.000 1.169 75 A CA 1.037 53.172 52.037 0.162 0.000 0.635 75 A CB -1.224 17.851 19.000 0.124 0.000 0.810 75 A HN 0.432 nan 8.150 nan 0.000 0.445 76 F N 0.632 120.649 119.950 0.112 0.000 2.084 76 F HA -0.117 4.410 4.527 -0.000 0.000 0.296 76 F C 1.937 177.844 175.800 0.178 0.000 1.111 76 F CA 1.801 59.910 58.000 0.181 0.000 1.224 76 F CB -0.228 38.835 39.000 0.104 0.000 0.991 76 F HN 0.133 nan 8.300 nan 0.000 0.471 77 L N -0.602 120.847 121.223 0.376 0.000 2.079 77 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 77 L C 2.480 179.404 176.870 0.090 0.000 1.081 77 L CA 1.407 56.390 54.840 0.238 0.000 0.752 77 L CB -0.979 41.217 42.059 0.228 0.000 0.896 77 L HN 0.113 nan 8.230 nan 0.000 0.433 78 S N -0.368 115.375 115.700 0.072 0.000 2.368 78 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 78 S C 1.940 176.497 174.600 -0.071 0.000 1.030 78 S CA 1.604 59.807 58.200 0.004 0.000 0.999 78 S CB -0.237 62.968 63.200 0.008 0.000 0.844 78 S HN 0.373 nan 8.310 nan 0.000 0.459 79 M N 1.263 120.774 119.600 -0.149 0.000 2.175 79 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 79 M C 2.101 178.159 176.300 -0.403 0.000 1.063 79 M CA 1.492 56.579 55.300 -0.356 0.000 1.119 79 M CB -0.107 32.096 32.600 -0.661 0.000 1.377 79 M HN 0.272 nan 8.290 nan 0.000 0.415 80 E N -0.150 119.891 120.200 -0.265 0.000 2.058 80 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 80 E C 1.957 178.513 176.600 -0.073 0.000 0.997 80 E CA 1.838 58.161 56.400 -0.128 0.000 0.801 80 E CB -0.011 29.685 29.700 -0.008 0.000 0.746 80 E HN 0.643 nan 8.360 nan 0.000 0.450 81 Q N -0.294 119.481 119.800 -0.042 0.000 2.050 81 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 81 Q C 2.229 178.218 176.000 -0.019 0.000 0.980 81 Q CA 1.355 57.152 55.803 -0.010 0.000 0.840 81 Q CB -0.177 28.562 28.738 0.003 0.000 0.898 81 Q HN 0.323 nan 8.270 nan 0.000 0.424 82 A N 0.876 123.667 122.820 -0.048 0.000 1.940 82 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 82 A C 2.031 179.602 177.584 -0.021 0.000 1.176 82 A CA 1.203 53.225 52.037 -0.025 0.000 0.631 82 A CB -0.650 18.333 19.000 -0.027 0.000 0.814 82 A HN 0.318 nan 8.150 nan 0.000 0.446 83 I N -0.468 120.047 120.570 -0.092 0.000 2.252 83 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 83 I C 2.980 179.079 176.117 -0.030 0.000 1.102 83 I CA 1.029 62.260 61.300 -0.114 0.000 1.385 83 I CB -0.360 37.452 38.000 -0.313 0.000 1.064 83 I HN 0.365 nan 8.210 nan 0.000 0.414 84 A N 0.302 123.116 122.820 -0.010 0.000 1.902 84 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 84 A C 1.982 179.586 177.584 0.034 0.000 1.181 84 A CA 2.324 54.376 52.037 0.024 0.000 0.623 84 A CB -0.736 18.281 19.000 0.029 0.000 0.818 84 A HN 0.432 nan 8.150 nan 0.000 0.443 85 D N -0.416 120.010 120.400 0.043 0.000 2.144 85 D HA 0.023 4.663 4.640 -0.000 0.000 0.200 85 D C 1.794 178.145 176.300 0.085 0.000 0.978 85 D CA 1.315 55.363 54.000 0.080 0.000 0.833 85 D CB -0.123 40.753 40.800 0.127 0.000 0.961 85 D HN 0.352 nan 8.370 nan 0.000 0.470 86 A N -0.736 122.120 122.820 0.060 0.000 2.208 86 A HA 0.408 4.728 4.320 -0.000 0.000 0.209 86 A C 1.735 179.340 177.584 0.036 0.000 1.161 86 A CA 0.869 52.932 52.037 0.043 0.000 0.782 86 A CB -0.540 18.456 19.000 -0.007 0.000 0.816 86 A HN 0.392 nan 8.150 nan 0.000 0.477 87 G N -0.631 108.193 108.800 0.040 0.000 2.221 87 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.265 87 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.265 87 G C -0.079 174.861 174.900 0.067 0.000 1.041 87 G CA 0.366 45.493 45.100 0.045 0.000 0.807 87 G HN 0.468 nan 8.290 nan 0.000 0.502 88 L N 1.665 122.938 121.223 0.084 0.000 2.265 88 L HA 0.503 4.843 4.340 -0.000 0.000 0.288 88 L C 1.201 178.218 176.870 0.244 0.000 1.058 88 L CA -0.239 54.699 54.840 0.162 0.000 0.809 88 L CB 1.389 43.541 42.059 0.154 0.000 1.179 88 L HN 0.424 nan 8.230 nan 0.000 0.429 89 S N 2.606 118.436 115.700 0.217 0.000 2.632 89 S HA 0.387 4.857 4.470 -0.000 0.000 0.271 89 S C -1.936 172.778 174.600 0.191 0.000 1.260 89 S CA -1.273 57.034 58.200 0.179 0.000 1.010 89 S CB 1.422 64.676 63.200 0.090 0.000 0.965 89 S HN 0.354 nan 8.310 nan 0.000 0.534 90 P HA -0.146 nan 4.420 nan 0.000 0.216 90 P C 1.167 178.283 177.300 -0.305 0.000 1.153 90 P CA 1.253 64.211 63.100 -0.237 0.000 0.858 90 P CB -0.010 31.620 31.700 -0.117 0.000 0.789 91 E N -0.661 119.470 120.200 -0.116 0.000 2.333 91 E HA -0.096 4.254 4.350 -0.000 0.000 0.198 91 E C 1.865 178.435 176.600 -0.050 0.000 1.007 91 E CA 1.183 57.531 56.400 -0.087 0.000 0.845 91 E CB -0.757 28.922 29.700 -0.035 0.000 0.766 91 E HN 0.275 nan 8.360 nan 0.000 0.507 92 A N 0.646 123.472 122.820 0.010 0.000 1.975 92 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 92 A C 1.826 179.510 177.584 0.167 0.000 1.170 92 A CA 0.964 53.065 52.037 0.108 0.000 0.656 92 A CB -0.350 18.756 19.000 0.177 0.000 0.821 92 A HN 0.412 nan 8.150 nan 0.000 0.449 93 Y N -1.795 118.548 120.300 0.071 0.000 2.467 93 Y HA 0.444 4.994 4.550 -0.000 0.000 0.259 93 Y C 0.747 176.671 175.900 0.040 0.000 1.084 93 Y CA -0.633 57.523 58.100 0.095 0.000 1.275 93 Y CB -0.171 38.417 38.460 0.214 0.000 1.208 93 Y HN 0.152 nan 8.280 nan 0.000 0.511 94 Q N 1.981 121.446 119.800 -0.559 0.000 2.354 94 Q HA 0.159 4.499 4.340 -0.000 0.000 0.244 94 Q C -0.262 175.534 176.000 -0.341 0.000 0.969 94 Q CA 0.084 55.619 55.803 -0.445 0.000 0.885 94 Q CB 0.396 28.818 28.738 -0.527 0.000 1.241 94 Q HN 0.527 nan 8.270 nan 0.000 0.461 95 N N 0.784 119.157 118.700 -0.545 0.000 2.696 95 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 95 N C -0.854 174.420 175.510 -0.393 0.000 1.090 95 N CA 0.162 52.673 53.050 -0.898 0.000 0.716 95 N CB -0.638 37.599 38.487 -0.417 0.000 1.020 95 N HN 0.429 nan 8.380 nan 0.000 0.548 96 N N 0.372 118.945 118.700 -0.212 0.000 2.476 96 N HA 0.204 4.944 4.740 -0.000 0.000 0.257 96 N C -1.788 173.773 175.510 0.084 0.000 0.970 96 N CA -2.243 50.801 53.050 -0.010 0.000 0.938 96 N CB 1.233 39.730 38.487 0.018 0.000 1.144 96 N HN -0.084 nan 8.380 nan 0.000 0.500 97 P HA -0.056 nan 4.420 nan 0.000 0.231 97 P C 0.541 177.887 177.300 0.078 0.000 1.158 97 P CA 0.681 63.861 63.100 0.133 0.000 0.763 97 P CB 0.522 32.286 31.700 0.108 0.000 0.805 98 R N -0.483 120.050 120.500 0.055 0.000 2.317 98 R HA 0.209 4.549 4.340 -0.000 0.000 0.208 98 R C 0.314 176.611 176.300 -0.005 0.000 0.914 98 R CA -0.044 56.066 56.100 0.016 0.000 1.060 98 R CB 0.116 30.419 30.300 0.004 0.000 1.015 98 R HN 0.148 nan 8.270 nan 0.000 0.498 99 V N 0.580 120.521 119.914 0.044 0.000 2.398 99 V HA 0.605 4.725 4.120 -0.000 0.000 0.286 99 V C 0.584 176.740 176.094 0.103 0.000 1.026 99 V CA -0.675 61.669 62.300 0.072 0.000 0.868 99 V CB 1.590 33.519 31.823 0.177 0.000 0.982 99 V HN 0.261 nan 8.190 nan 0.000 0.443 100 G N 3.377 112.220 108.800 0.072 0.000 3.013 100 G HA2 0.823 4.783 3.960 -0.000 0.000 0.278 100 G HA3 0.823 4.783 3.960 -0.000 0.000 0.278 100 G C -1.666 173.294 174.900 0.099 0.000 1.353 100 G CA -0.748 44.383 45.100 0.053 0.000 1.043 100 G HN 0.699 nan 8.290 nan 0.000 0.523 101 L N -0.112 121.105 121.223 -0.011 0.000 2.562 101 L HA 0.650 4.990 4.340 -0.000 0.000 0.266 101 L C -1.566 175.208 176.870 -0.159 0.000 0.949 101 L CA -0.673 54.157 54.840 -0.017 0.000 0.879 101 L CB 1.637 43.694 42.059 -0.003 0.000 1.278 101 L HN 0.440 nan 8.230 nan 0.000 0.404 102 I N 5.260 125.744 120.570 -0.144 0.000 2.493 102 I HA 0.731 4.901 4.170 -0.000 0.000 0.279 102 I C -0.475 175.605 176.117 -0.062 0.000 1.045 102 I CA -0.297 60.890 61.300 -0.189 0.000 1.106 102 I CB 1.739 39.603 38.000 -0.226 0.000 1.216 102 I HN 0.654 nan 8.210 nan 0.000 0.459 103 A N 4.229 127.037 122.820 -0.020 0.000 2.520 103 A HA 0.973 5.293 4.320 -0.000 0.000 0.298 103 A C -0.615 176.997 177.584 0.047 0.000 1.051 103 A CA -0.439 51.606 52.037 0.014 0.000 0.690 103 A CB 1.923 20.929 19.000 0.010 0.000 1.281 103 A HN 0.744 nan 8.150 nan 0.000 0.402 104 G N -0.312 108.522 108.800 0.056 0.000 2.827 104 G HA2 0.835 4.795 3.960 -0.000 0.000 0.296 104 G HA3 0.835 4.795 3.960 -0.000 0.000 0.296 104 G C -0.514 174.425 174.900 0.064 0.000 1.362 104 G CA 0.178 45.321 45.100 0.070 0.000 0.809 104 G HN 1.918 nan 8.290 nan 0.000 0.522 105 S N -2.172 113.568 115.700 0.068 0.000 2.627 105 S HA 0.671 5.141 4.470 -0.000 0.000 0.283 105 S C 0.966 175.605 174.600 0.065 0.000 1.127 105 S CA 0.297 58.535 58.200 0.064 0.000 0.863 105 S CB 1.481 64.721 63.200 0.065 0.000 1.121 105 S HN 1.498 nan 8.310 nan 0.000 0.479 106 G N -0.233 108.603 108.800 0.059 0.000 2.453 106 G HA2 0.351 4.311 3.960 -0.000 0.000 0.215 106 G HA3 0.351 4.311 3.960 -0.000 0.000 0.215 106 G C 0.833 175.779 174.900 0.076 0.000 1.147 106 G CA 0.359 45.496 45.100 0.063 0.000 0.802 106 G HN 1.303 nan 8.290 nan 0.000 0.535 107 G N -1.214 107.632 108.800 0.078 0.000 3.979 107 G HA2 0.476 4.436 3.960 -0.000 0.000 0.287 107 G HA3 0.476 4.436 3.960 -0.000 0.000 0.287 107 G C 1.019 175.960 174.900 0.069 0.000 1.011 107 G CA 0.787 45.934 45.100 0.078 0.000 0.818 107 G HN 1.047 nan 8.290 nan 0.000 0.470 108 G N 0.585 109.426 108.800 0.069 0.000 2.677 108 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.321 108 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.321 108 G C 0.503 175.449 174.900 0.076 0.000 1.181 108 G CA 0.906 46.047 45.100 0.069 0.000 0.965 108 G HN 1.543 nan 8.290 nan 0.000 0.548 109 S N 1.390 117.145 115.700 0.091 0.000 2.356 109 S HA 0.629 5.099 4.470 -0.000 0.000 0.171 109 S C -1.390 173.269 174.600 0.098 0.000 1.399 109 S CA 0.174 58.447 58.200 0.121 0.000 1.225 109 S CB 1.639 64.970 63.200 0.219 0.000 1.271 109 S HN 0.247 nan 8.310 nan 0.000 0.427 110 P HA -0.119 nan 4.420 nan 0.000 0.216 110 P C 1.547 178.806 177.300 -0.068 0.000 1.150 110 P CA 0.759 63.848 63.100 -0.018 0.000 0.837 110 P CB 0.123 31.792 31.700 -0.052 0.000 0.786 111 R N -0.882 119.550 120.500 -0.114 0.000 2.083 111 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 111 R C 1.934 178.112 176.300 -0.204 0.000 1.137 111 R CA 1.771 57.729 56.100 -0.236 0.000 0.951 111 R CB -0.991 29.114 30.300 -0.326 0.000 0.851 111 R HN 0.110 nan 8.270 nan 0.000 0.434 112 F N 0.719 120.692 119.950 0.039 0.000 2.456 112 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 112 F C 2.496 178.386 175.800 0.151 0.000 1.104 112 F CA 0.940 59.017 58.000 0.129 0.000 1.435 112 F CB 0.018 39.065 39.000 0.078 0.000 1.078 112 F HN 0.145 nan 8.300 nan 0.000 0.546 113 Q N -0.271 119.654 119.800 0.207 0.000 2.079 113 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 113 Q C 2.350 178.401 176.000 0.085 0.000 0.974 113 Q CA 1.622 57.503 55.803 0.130 0.000 0.840 113 Q CB -0.269 28.514 28.738 0.075 0.000 0.898 113 Q HN 0.263 nan 8.270 nan 0.000 0.430 114 V N 0.415 120.356 119.914 0.044 0.000 2.453 114 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 114 V C 1.855 177.978 176.094 0.049 0.000 1.048 114 V CA 1.500 63.809 62.300 0.015 0.000 1.049 114 V CB -0.593 31.198 31.823 -0.053 0.000 0.672 114 V HN 0.339 nan 8.190 nan 0.000 0.457 115 F N 2.373 122.300 119.950 -0.038 0.000 2.095 115 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 115 F C 2.197 178.027 175.800 0.050 0.000 1.104 115 F CA 1.792 59.785 58.000 -0.011 0.000 1.232 115 F CB -0.996 37.976 39.000 -0.048 0.000 0.987 115 F HN 0.137 nan 8.300 nan 0.000 0.475 116 G N -0.221 108.538 108.800 -0.068 0.000 2.446 116 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 116 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 116 G C 1.818 176.609 174.900 -0.183 0.000 1.168 116 G CA 1.051 46.056 45.100 -0.157 0.000 0.771 116 G HN 0.667 nan 8.290 nan 0.000 0.551 117 A N 0.786 123.550 122.820 -0.095 0.000 1.930 117 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 117 A C 2.110 179.635 177.584 -0.099 0.000 1.175 117 A CA 2.073 54.067 52.037 -0.071 0.000 0.627 117 A CB -0.348 18.637 19.000 -0.025 0.000 0.815 117 A HN 0.280 nan 8.150 nan 0.000 0.443 118 D N 0.168 120.492 120.400 -0.127 0.000 2.097 118 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 118 D C 2.290 178.481 176.300 -0.181 0.000 0.984 118 D CA 1.559 55.491 54.000 -0.113 0.000 0.826 118 D CB -0.500 40.259 40.800 -0.069 0.000 0.973 118 D HN 0.392 nan 8.370 nan 0.000 0.460 119 A N 0.793 123.392 122.820 -0.368 0.000 1.883 119 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 119 A C 2.164 179.633 177.584 -0.192 0.000 1.186 119 A CA 1.981 53.799 52.037 -0.366 0.000 0.624 119 A CB -0.628 17.966 19.000 -0.676 0.000 0.822 119 A HN 0.169 nan 8.150 nan 0.000 0.444 120 M N -0.115 119.384 119.600 -0.169 0.000 2.202 120 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 120 M C 1.785 178.046 176.300 -0.065 0.000 1.063 120 M CA 1.514 56.757 55.300 -0.095 0.000 1.097 120 M CB -0.460 32.095 32.600 -0.076 0.000 1.382 120 M HN 0.371 nan 8.290 nan 0.000 0.413 121 R N -0.236 120.225 120.500 -0.065 0.000 2.313 121 R HA 0.226 4.566 4.340 -0.000 0.000 0.199 121 R C 0.933 177.212 176.300 -0.035 0.000 0.958 121 R CA 0.264 56.340 56.100 -0.040 0.000 1.047 121 R CB -0.291 29.990 30.300 -0.031 0.000 0.955 121 R HN 0.449 nan 8.270 nan 0.000 0.481 122 G N 0.886 109.659 108.800 -0.046 0.000 2.531 122 G HA2 0.175 4.135 3.960 -0.000 0.000 0.313 122 G HA3 0.175 4.135 3.960 -0.000 0.000 0.313 122 G C -1.563 173.323 174.900 -0.023 0.000 1.238 122 G CA -1.062 44.019 45.100 -0.031 0.000 0.994 122 G HN -0.102 nan 8.290 nan 0.000 0.493 123 P HA -0.057 nan 4.420 nan 0.000 0.225 123 P C 1.006 178.302 177.300 -0.007 0.000 1.148 123 P CA 0.808 63.904 63.100 -0.007 0.000 0.779 123 P CB 0.365 32.064 31.700 -0.001 0.000 0.780 124 R N -1.163 119.331 120.500 -0.010 0.000 2.335 124 R HA 0.236 4.576 4.340 -0.000 0.000 0.210 124 R C 1.693 177.983 176.300 -0.018 0.000 0.892 124 R CA 0.450 56.546 56.100 -0.008 0.000 1.048 124 R CB -0.161 30.142 30.300 0.004 0.000 1.067 124 R HN 0.132 nan 8.270 nan 0.000 0.524 125 G N 2.349 111.130 108.800 -0.031 0.000 2.684 125 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.332 125 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.332 125 G C 0.928 175.803 174.900 -0.041 0.000 1.306 125 G CA 0.706 45.782 45.100 -0.039 0.000 1.002 125 G HN 0.205 nan 8.290 nan 0.000 0.545 126 L N 0.306 121.510 121.223 -0.031 0.000 2.089 126 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 126 L C 3.155 180.014 176.870 -0.019 0.000 1.079 126 L CA 2.214 57.037 54.840 -0.027 0.000 0.758 126 L CB -0.562 41.484 42.059 -0.022 0.000 0.891 126 L HN 0.426 nan 8.230 nan 0.000 0.433 127 K N 0.110 120.503 120.400 -0.012 0.000 2.032 127 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 127 K C 2.213 178.827 176.600 0.023 0.000 1.048 127 K CA 1.721 58.009 56.287 0.001 0.000 0.927 127 K CB -0.453 32.050 32.500 0.004 0.000 0.712 127 K HN 0.347 nan 8.250 nan 0.000 0.441 128 A N 1.067 123.897 122.820 0.017 0.000 1.902 128 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 128 A C 2.513 180.143 177.584 0.078 0.000 1.181 128 A CA 1.582 53.648 52.037 0.048 0.000 0.623 128 A CB -0.699 18.291 19.000 -0.016 0.000 0.818 128 A HN 0.070 nan 8.150 nan 0.000 0.443 129 V N -0.489 119.411 119.914 -0.024 0.000 2.252 129 V HA 0.070 4.190 4.120 -0.000 0.000 0.249 129 V C 1.682 177.883 176.094 0.178 0.000 1.056 129 V CA 1.403 63.704 62.300 0.002 0.000 1.022 129 V CB -2.071 29.731 31.823 -0.034 0.000 0.641 129 V HN 1.444 nan 8.190 nan 0.000 0.445 130 G N 0.130 108.975 108.800 0.075 0.000 2.781 130 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.683 130 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.683 130 G C -1.654 173.186 174.900 -0.099 0.000 1.390 130 G CA -0.096 45.011 45.100 0.012 0.000 0.850 130 G HN 0.356 nan 8.290 nan 0.000 0.557 131 P HA 0.238 nan 4.420 nan 0.000 0.256 131 P C -0.028 176.965 177.300 -0.512 0.000 1.384 131 P CA 0.622 63.460 63.100 -0.437 0.000 0.879 131 P CB -0.030 31.335 31.700 -0.558 0.000 1.403 132 Y N -1.832 118.445 120.300 -0.038 0.000 2.588 132 Y HA 0.137 4.687 4.550 -0.000 0.000 0.247 132 Y C 2.125 177.981 175.900 -0.074 0.000 1.157 132 Y CA -0.279 57.762 58.100 -0.099 0.000 1.215 132 Y CB -0.214 38.075 38.460 -0.285 0.000 1.245 132 Y HN -0.278 nan 8.280 nan 0.000 0.534 133 V N -1.169 118.815 119.914 0.116 0.000 2.453 133 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 133 V C 2.080 178.228 176.094 0.091 0.000 1.048 133 V CA 1.547 63.921 62.300 0.124 0.000 1.049 133 V CB -0.639 31.320 31.823 0.227 0.000 0.672 133 V HN 0.217 nan 8.190 nan 0.000 0.457 134 V N 1.250 121.219 119.914 0.091 0.000 2.255 134 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 134 V C 2.846 178.986 176.094 0.078 0.000 1.051 134 V CA 2.717 65.066 62.300 0.081 0.000 1.018 134 V CB -1.449 30.417 31.823 0.071 0.000 0.641 134 V HN 0.808 nan 8.190 nan 0.000 0.445 135 T N -1.798 112.823 114.554 0.111 0.000 2.881 135 T HA -0.198 4.152 4.350 -0.000 0.000 0.270 135 T C 1.716 176.439 174.700 0.038 0.000 1.068 135 T CA 1.450 63.610 62.100 0.100 0.000 1.131 135 T CB -0.285 68.708 68.868 0.209 0.000 0.871 135 T HN 0.493 nan 8.240 nan 0.000 0.479 136 K N 0.873 121.256 120.400 -0.028 0.000 2.186 136 K HA 0.370 4.690 4.320 -0.000 0.000 0.202 136 K C 2.636 179.232 176.600 -0.007 0.000 1.052 136 K CA 0.853 57.054 56.287 -0.144 0.000 0.965 136 K CB -0.095 32.075 32.500 -0.549 0.000 0.746 136 K HN 0.421 nan 8.250 nan 0.000 0.457 137 A N 1.869 124.723 122.820 0.056 0.000 1.997 137 A HA 0.089 4.409 4.320 -0.000 0.000 0.212 137 A C 1.227 178.857 177.584 0.078 0.000 1.178 137 A CA -0.108 51.992 52.037 0.106 0.000 0.698 137 A CB -0.361 18.722 19.000 0.138 0.000 0.842 137 A HN 0.309 nan 8.150 nan 0.000 0.458 138 M N -1.165 118.472 119.600 0.063 0.000 2.250 138 M HA 0.389 4.869 4.480 -0.000 0.000 0.337 138 M C 0.978 177.311 176.300 0.056 0.000 1.161 138 M CA 0.468 55.802 55.300 0.055 0.000 1.088 138 M CB 0.335 32.965 32.600 0.049 0.000 1.639 138 M HN 0.107 nan 8.290 nan 0.000 0.447 139 A N 2.582 125.435 122.820 0.055 0.000 1.948 139 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 139 A C 2.099 179.721 177.584 0.063 0.000 1.177 139 A CA 2.232 54.304 52.037 0.059 0.000 0.636 139 A CB -1.070 17.964 19.000 0.056 0.000 0.815 139 A HN 1.041 nan 8.150 nan 0.000 0.449 140 S N -0.557 115.180 115.700 0.062 0.000 2.701 140 S HA 0.274 4.744 4.470 -0.000 0.000 0.220 140 S C 1.638 176.274 174.600 0.059 0.000 0.954 140 S CA 0.620 58.861 58.200 0.069 0.000 0.936 140 S CB -0.560 62.684 63.200 0.074 0.000 0.777 140 S HN 0.644 nan 8.310 nan 0.000 0.518 141 G N 2.291 111.122 108.800 0.052 0.000 2.529 141 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 141 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 141 G C 1.330 176.257 174.900 0.045 0.000 1.177 141 G CA 1.251 46.376 45.100 0.041 0.000 0.773 141 G HN 0.488 nan 8.290 nan 0.000 0.573 142 V N 1.745 121.691 119.914 0.054 0.000 2.324 142 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 142 V C 3.277 179.412 176.094 0.070 0.000 1.060 142 V CA 2.625 64.963 62.300 0.064 0.000 1.042 142 V CB -0.557 31.304 31.823 0.064 0.000 0.650 142 V HN 0.662 nan 8.190 nan 0.000 0.450 143 S N 0.435 116.171 115.700 0.061 0.000 2.388 143 S HA 0.008 4.478 4.470 -0.000 0.000 0.223 143 S C 2.120 176.753 174.600 0.054 0.000 1.034 143 S CA 0.967 59.198 58.200 0.051 0.000 0.963 143 S CB -0.379 62.847 63.200 0.043 0.000 0.827 143 S HN 0.538 nan 8.310 nan 0.000 0.481 144 A N 0.985 123.832 122.820 0.046 0.000 1.902 144 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 144 A C 2.363 179.954 177.584 0.012 0.000 1.181 144 A CA 1.527 53.578 52.037 0.023 0.000 0.623 144 A CB -1.506 17.499 19.000 0.009 0.000 0.818 144 A HN 0.693 nan 8.150 nan 0.000 0.443 145 C N -1.176 118.143 119.300 0.031 0.000 2.472 145 C HA 0.129 4.589 4.460 -0.000 0.000 0.278 145 C C 2.255 177.320 174.990 0.124 0.000 1.447 145 C CA 0.726 59.765 59.018 0.036 0.000 1.773 145 C CB -1.301 26.461 27.740 0.037 0.000 1.793 145 C HN 0.529 nan 8.230 nan 0.000 0.544 146 L N 0.278 121.606 121.223 0.175 0.000 2.445 146 L HA 0.271 4.611 4.340 -0.000 0.000 0.207 146 L C 2.632 179.671 176.870 0.282 0.000 1.053 146 L CA 1.533 56.568 54.840 0.324 0.000 0.841 146 L CB -1.243 40.985 42.059 0.281 0.000 1.074 146 L HN 0.133 nan 8.230 nan 0.000 0.479 147 A N -0.710 122.197 122.820 0.147 0.000 1.940 147 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 147 A C 2.282 179.933 177.584 0.112 0.000 1.176 147 A CA 2.485 54.592 52.037 0.116 0.000 0.631 147 A CB -0.981 18.059 19.000 0.067 0.000 0.814 147 A HN 0.430 nan 8.150 nan 0.000 0.446 148 T N 0.373 114.963 114.554 0.061 0.000 2.668 148 T HA -0.059 4.291 4.350 -0.000 0.000 0.262 148 T C -0.029 174.679 174.700 0.013 0.000 1.045 148 T CA 1.539 63.647 62.100 0.013 0.000 1.152 148 T CB -1.126 67.698 68.868 -0.073 0.000 0.864 148 T HN 0.508 nan 8.240 nan 0.000 0.419 149 P HA -0.013 nan 4.420 nan 0.000 0.217 149 P C 0.949 178.186 177.300 -0.106 0.000 1.150 149 P CA 1.106 64.159 63.100 -0.077 0.000 0.832 149 P CB -0.297 31.348 31.700 -0.091 0.000 0.787 150 F N 0.467 120.452 119.950 0.059 0.000 2.802 150 F HA 0.092 4.619 4.527 -0.000 0.000 0.300 150 F C 0.871 176.684 175.800 0.023 0.000 1.168 150 F CA 0.064 58.084 58.000 0.034 0.000 1.433 150 F CB -0.296 38.650 39.000 -0.090 0.000 1.115 150 F HN -0.197 nan 8.300 nan 0.000 0.582 151 K N -0.018 120.461 120.400 0.132 0.000 3.077 151 K HA -0.227 4.093 4.320 -0.000 0.000 0.264 151 K C -0.488 176.141 176.600 0.048 0.000 1.008 151 K CA 0.348 56.666 56.287 0.052 0.000 0.740 151 K CB -2.509 29.949 32.500 -0.071 0.000 1.273 151 K HN 0.217 nan 8.250 nan 0.000 0.477 152 I N 0.821 121.479 120.570 0.148 0.000 2.529 152 I HA 0.025 4.195 4.170 -0.000 0.000 0.284 152 I C 1.949 178.233 176.117 0.279 0.000 1.082 152 I CA 0.217 61.614 61.300 0.160 0.000 1.406 152 I CB 0.405 38.486 38.000 0.136 0.000 1.405 152 I HN 0.199 nan 8.210 nan 0.000 0.548 153 H N 3.184 122.288 119.070 0.057 0.000 2.874 153 H HA 0.245 4.801 4.556 -0.000 0.000 0.264 153 H C 1.249 176.597 175.328 0.034 0.000 1.007 153 H CA 0.045 56.115 56.048 0.037 0.000 1.207 153 H CB 0.918 30.698 29.762 0.030 0.000 1.487 153 H HN 0.783 nan 8.280 nan 0.000 0.505 154 G N 1.157 110.050 108.800 0.155 0.000 2.735 154 G HA2 0.194 4.154 3.960 -0.000 0.000 0.192 154 G HA3 0.194 4.154 3.960 -0.000 0.000 0.192 154 G C 0.201 175.132 174.900 0.052 0.000 1.547 154 G CA 0.086 45.237 45.100 0.085 0.000 1.080 154 G HN 0.122 nan 8.290 nan 0.000 0.569 155 V N -0.779 119.142 119.914 0.011 0.000 2.872 155 V HA 0.457 4.577 4.120 -0.000 0.000 0.307 155 V C -0.231 175.797 176.094 -0.110 0.000 1.072 155 V CA -0.288 61.992 62.300 -0.032 0.000 1.148 155 V CB 1.117 32.875 31.823 -0.108 0.000 0.954 155 V HN 0.752 nan 8.190 nan 0.000 0.490 156 N N 3.373 122.017 118.700 -0.094 0.000 2.629 156 N HA 0.530 5.270 4.740 -0.000 0.000 0.277 156 N C -1.161 174.375 175.510 0.043 0.000 1.188 156 N CA -0.555 52.448 53.050 -0.079 0.000 0.835 156 N CB 1.164 39.664 38.487 0.022 0.000 1.420 156 N HN 1.022 nan 8.380 nan 0.000 0.542 157 Y N -1.070 119.251 120.300 0.034 0.000 2.814 157 Y HA 0.658 5.208 4.550 -0.000 0.000 0.348 157 Y C -1.424 174.495 175.900 0.032 0.000 1.245 157 Y CA -1.201 56.916 58.100 0.029 0.000 1.086 157 Y CB 0.392 38.866 38.460 0.023 0.000 1.373 157 Y HN 0.121 nan 8.280 nan 0.000 0.451 158 S N 2.052 117.946 115.700 0.323 0.000 2.503 158 S HA 0.690 5.160 4.470 -0.000 0.000 0.301 158 S C -0.962 173.782 174.600 0.239 0.000 1.087 158 S CA -0.749 57.577 58.200 0.211 0.000 1.042 158 S CB 1.279 64.556 63.200 0.128 0.000 1.043 158 S HN 0.482 nan 8.310 nan 0.000 0.489 159 I N 2.105 122.793 120.570 0.196 0.000 2.498 159 I HA 0.558 4.728 4.170 -0.000 0.000 0.301 159 I C 0.293 176.485 176.117 0.124 0.000 0.984 159 I CA -0.300 61.096 61.300 0.160 0.000 1.204 159 I CB 1.616 39.720 38.000 0.173 0.000 1.362 159 I HN 0.573 nan 8.210 nan 0.000 0.471 160 S N 2.952 118.713 115.700 0.102 0.000 2.668 160 S HA 0.567 5.037 4.470 -0.000 0.000 0.277 160 S C -0.570 174.094 174.600 0.107 0.000 1.170 160 S CA -0.411 57.850 58.200 0.101 0.000 0.994 160 S CB 0.919 64.168 63.200 0.082 0.000 1.051 160 S HN 0.687 nan 8.310 nan 0.000 0.484 161 S N 2.980 118.767 115.700 0.145 0.000 2.593 161 S HA 0.649 5.119 4.470 -0.000 0.000 0.178 161 S C 0.637 175.329 174.600 0.153 0.000 1.114 161 S CA -0.031 58.272 58.200 0.171 0.000 1.199 161 S CB -0.003 63.373 63.200 0.294 0.000 1.564 161 S HN 1.966 nan 8.310 nan 0.000 0.407 162 A N 0.755 123.640 122.820 0.109 0.000 5.395 162 A HA -0.339 3.981 4.320 -0.000 0.000 0.324 162 A C 1.696 179.302 177.584 0.036 0.000 1.813 162 A CA 1.296 53.370 52.037 0.062 0.000 0.714 162 A CB -2.101 16.934 19.000 0.058 0.000 1.374 162 A HN 1.408 nan 8.150 nan 0.000 0.390 163 C N 0.281 119.585 119.300 0.006 0.000 2.485 163 C HA 0.345 4.805 4.460 -0.000 0.000 0.283 163 C C 2.660 177.682 174.990 0.053 0.000 1.478 163 C CA 1.150 60.205 59.018 0.061 0.000 1.741 163 C CB -1.916 25.928 27.740 0.174 0.000 1.675 163 C HN 1.253 nan 8.230 nan 0.000 0.573 164 A N -0.474 122.371 122.820 0.042 0.000 2.343 164 A HA 0.135 4.455 4.320 -0.000 0.000 0.223 164 A C 1.871 179.460 177.584 0.009 0.000 1.214 164 A CA 0.806 52.819 52.037 -0.040 0.000 0.900 164 A CB -0.554 18.419 19.000 -0.045 0.000 0.942 164 A HN 0.418 nan 8.150 nan 0.000 0.507 165 T N 1.637 116.250 114.554 0.100 0.000 2.481 165 T HA -0.292 4.058 4.350 -0.000 0.000 0.252 165 T C 2.166 176.919 174.700 0.088 0.000 1.242 165 T CA 2.907 65.082 62.100 0.124 0.000 1.170 165 T CB -0.627 68.292 68.868 0.085 0.000 0.860 165 T HN 0.820 nan 8.240 nan 0.000 0.422 166 S N 1.312 117.027 115.700 0.026 0.000 2.547 166 S HA 0.240 4.710 4.470 -0.000 0.000 0.235 166 S C 2.112 176.686 174.600 -0.044 0.000 0.980 166 S CA 0.717 58.915 58.200 -0.005 0.000 0.941 166 S CB -0.337 62.847 63.200 -0.028 0.000 0.763 166 S HN 0.588 nan 8.310 nan 0.000 0.532 167 A N 1.513 124.289 122.820 -0.073 0.000 1.935 167 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 167 A C 1.867 179.398 177.584 -0.087 0.000 1.178 167 A CA 0.906 52.869 52.037 -0.124 0.000 0.640 167 A CB -0.859 18.027 19.000 -0.189 0.000 0.825 167 A HN 0.648 nan 8.150 nan 0.000 0.447 168 H N -1.503 117.591 119.070 0.040 0.000 2.423 168 H HA -0.128 4.428 4.556 -0.000 0.000 0.297 168 H C 2.149 177.467 175.328 -0.016 0.000 1.075 168 H CA 1.271 57.370 56.048 0.085 0.000 1.342 168 H CB -0.107 29.734 29.762 0.132 0.000 1.395 168 H HN 0.538 nan 8.280 nan 0.000 0.530 169 C N 0.260 119.616 119.300 0.094 0.000 2.432 169 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 169 C C 2.675 177.619 174.990 -0.078 0.000 1.249 169 C CA 0.771 59.804 59.018 0.025 0.000 1.725 169 C CB -0.786 26.963 27.740 0.016 0.000 2.028 169 C HN 0.528 nan 8.230 nan 0.000 0.477 170 I N 1.122 121.614 120.570 -0.130 0.000 2.226 170 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 170 I C 2.721 178.637 176.117 -0.334 0.000 1.100 170 I CA 1.870 63.052 61.300 -0.196 0.000 1.374 170 I CB -0.959 36.931 38.000 -0.182 0.000 1.057 170 I HN 0.450 nan 8.210 nan 0.000 0.413 171 G N 0.428 108.867 108.800 -0.601 0.000 2.408 171 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 171 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 171 G C 1.489 175.954 174.900 -0.724 0.000 1.150 171 G CA 0.471 44.749 45.100 -1.369 0.000 0.776 171 G HN 0.314 nan 8.290 nan 0.000 0.542 172 N N 1.017 119.541 118.700 -0.294 0.000 2.331 172 N HA -0.028 4.712 4.740 -0.000 0.000 0.180 172 N C 2.477 177.961 175.510 -0.043 0.000 1.019 172 N CA 1.005 54.044 53.050 -0.018 0.000 0.881 172 N CB -0.046 38.505 38.487 0.107 0.000 0.972 172 N HN 0.257 nan 8.380 nan 0.000 0.435 173 A N 0.524 123.275 122.820 -0.114 0.000 1.898 173 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 173 A C 2.459 179.980 177.584 -0.105 0.000 1.181 173 A CA 0.982 52.953 52.037 -0.111 0.000 0.620 173 A CB -0.688 18.230 19.000 -0.137 0.000 0.819 173 A HN 0.127 nan 8.150 nan 0.000 0.442 174 V N 0.302 120.132 119.914 -0.139 0.000 2.332 174 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 174 V C 2.405 178.480 176.094 -0.032 0.000 1.055 174 V CA 2.390 64.632 62.300 -0.096 0.000 1.038 174 V CB -0.906 30.847 31.823 -0.118 0.000 0.651 174 V HN 0.644 nan 8.190 nan 0.000 0.450 175 E N -0.553 119.646 120.200 -0.003 0.000 2.077 175 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 175 E C 2.402 179.020 176.600 0.030 0.000 0.989 175 E CA 1.180 57.611 56.400 0.051 0.000 0.800 175 E CB -0.182 29.579 29.700 0.103 0.000 0.746 175 E HN 0.540 nan 8.360 nan 0.000 0.452 176 Q N 0.287 120.095 119.800 0.014 0.000 2.135 176 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 176 Q C 2.241 178.235 176.000 -0.010 0.000 0.981 176 Q CA 1.157 56.965 55.803 0.008 0.000 0.856 176 Q CB -0.197 28.534 28.738 -0.011 0.000 0.902 176 Q HN 0.434 nan 8.270 nan 0.000 0.425 177 I N 0.538 121.090 120.570 -0.029 0.000 2.286 177 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 177 I C 2.371 178.480 176.117 -0.013 0.000 1.104 177 I CA 0.912 62.191 61.300 -0.036 0.000 1.397 177 I CB -0.191 37.776 38.000 -0.057 0.000 1.072 177 I HN 0.246 nan 8.210 nan 0.000 0.417 178 Q N 0.508 120.309 119.800 0.001 0.000 2.124 178 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 178 Q C 2.276 178.286 176.000 0.016 0.000 0.977 178 Q CA 1.301 57.113 55.803 0.014 0.000 0.850 178 Q CB -0.128 28.628 28.738 0.030 0.000 0.901 178 Q HN 0.526 nan 8.270 nan 0.000 0.429 179 L N -0.654 120.579 121.223 0.018 0.000 2.376 179 L HA 0.001 4.341 4.340 -0.000 0.000 0.219 179 L C 1.261 178.139 176.870 0.014 0.000 1.133 179 L CA 0.641 55.492 54.840 0.019 0.000 0.816 179 L CB -0.275 41.800 42.059 0.026 0.000 0.933 179 L HN 0.477 nan 8.230 nan 0.000 0.449 180 G N -0.032 108.772 108.800 0.006 0.000 2.137 180 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.237 180 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.237 180 G C 0.903 175.804 174.900 0.003 0.000 1.002 180 G CA 0.525 45.627 45.100 0.003 0.000 0.702 180 G HN 0.371 nan 8.290 nan 0.000 0.515 181 K N -0.969 119.433 120.400 0.004 0.000 2.211 181 K HA 0.115 4.435 4.320 -0.000 0.000 0.201 181 K C 0.968 177.566 176.600 -0.004 0.000 1.052 181 K CA 0.765 57.057 56.287 0.008 0.000 0.973 181 K CB 0.080 32.592 32.500 0.021 0.000 0.766 181 K HN 0.415 nan 8.250 nan 0.000 0.466 182 Q N -0.115 119.669 119.800 -0.026 0.000 2.423 182 Q HA 0.160 4.500 4.340 -0.000 0.000 0.278 182 Q C -0.472 175.468 176.000 -0.100 0.000 1.097 182 Q CA -0.320 55.450 55.803 -0.055 0.000 0.809 182 Q CB 2.004 30.706 28.738 -0.061 0.000 1.391 182 Q HN -0.014 nan 8.270 nan 0.000 0.428 183 D N 0.281 120.582 120.400 -0.165 0.000 2.380 183 D HA 0.282 4.922 4.640 -0.000 0.000 0.212 183 D C 0.202 176.279 176.300 -0.372 0.000 1.021 183 D CA 0.700 54.522 54.000 -0.297 0.000 0.884 183 D CB 1.439 41.952 40.800 -0.478 0.000 1.001 183 D HN 0.361 nan 8.370 nan 0.000 0.506 184 I N 0.829 121.216 120.570 -0.305 0.000 2.607 184 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 184 I C -1.304 174.647 176.117 -0.276 0.000 1.129 184 I CA -0.729 60.370 61.300 -0.335 0.000 1.042 184 I CB 3.298 41.072 38.000 -0.378 0.000 1.242 184 I HN -0.414 nan 8.210 nan 0.000 0.421 185 V N 5.987 125.703 119.914 -0.330 0.000 2.567 185 V HA 0.359 4.479 4.120 -0.000 0.000 0.298 185 V C -0.738 175.181 176.094 -0.292 0.000 1.047 185 V CA -0.585 61.582 62.300 -0.222 0.000 0.880 185 V CB 1.643 33.376 31.823 -0.151 0.000 1.009 185 V HN 0.381 nan 8.190 nan 0.000 0.429 186 F N 3.577 123.422 119.950 -0.176 0.000 2.471 186 F HA 0.637 5.164 4.527 -0.000 0.000 0.365 186 F C 0.845 176.542 175.800 -0.172 0.000 1.095 186 F CA 0.049 57.928 58.000 -0.200 0.000 1.174 186 F CB 0.840 39.680 39.000 -0.268 0.000 1.105 186 F HN 0.571 nan 8.300 nan 0.000 0.535 187 A N 2.582 125.381 122.820 -0.035 0.000 2.350 187 A HA 0.950 5.270 4.320 -0.000 0.000 0.324 187 A C 0.225 177.777 177.584 -0.053 0.000 1.118 187 A CA 0.160 52.162 52.037 -0.058 0.000 0.783 187 A CB 1.300 20.239 19.000 -0.102 0.000 1.236 187 A HN 1.021 nan 8.150 nan 0.000 0.457 188 G N -0.426 108.348 108.800 -0.042 0.000 2.513 188 G HA2 0.684 4.644 3.960 -0.000 0.000 0.182 188 G HA3 0.684 4.644 3.960 -0.000 0.000 0.182 188 G C -0.098 174.794 174.900 -0.013 0.000 1.190 188 G CA 0.442 45.518 45.100 -0.041 0.000 0.987 188 G HN 2.431 nan 8.290 nan 0.000 0.479 189 G N -2.138 106.661 108.800 -0.001 0.000 2.315 189 G HA2 0.785 4.745 3.960 -0.000 0.000 0.294 189 G HA3 0.785 4.745 3.960 -0.000 0.000 0.294 189 G C -0.435 174.494 174.900 0.048 0.000 1.300 189 G CA 0.810 45.926 45.100 0.027 0.000 0.843 189 G HN 2.179 nan 8.290 nan 0.000 0.527 190 G N -1.372 107.472 108.800 0.072 0.000 2.684 190 G HA2 0.735 4.695 3.960 -0.000 0.000 0.290 190 G HA3 0.735 4.695 3.960 -0.000 0.000 0.290 190 G C -1.868 173.101 174.900 0.114 0.000 1.425 190 G CA -0.128 45.044 45.100 0.120 0.000 0.822 190 G HN 0.818 nan 8.290 nan 0.000 0.482 191 E N -0.532 119.770 120.200 0.171 0.000 2.354 191 E HA 0.352 4.702 4.350 -0.000 0.000 0.283 191 E C -0.455 176.263 176.600 0.196 0.000 0.938 191 E CA -0.666 55.810 56.400 0.128 0.000 0.777 191 E CB 1.550 31.291 29.700 0.069 0.000 1.222 191 E HN 0.709 nan 8.360 nan 0.000 0.423 192 E N 3.087 123.358 120.200 0.120 0.000 2.314 192 E HA 0.461 4.811 4.350 -0.000 0.000 0.262 192 E C -0.810 175.837 176.600 0.079 0.000 1.093 192 E CA -0.881 55.586 56.400 0.112 0.000 0.908 192 E CB 1.281 30.997 29.700 0.026 0.000 1.091 192 E HN 0.256 nan 8.360 nan 0.000 0.425 193 L N 2.314 123.557 121.223 0.033 0.000 2.319 193 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 193 L C -1.271 175.601 176.870 0.003 0.000 1.005 193 L CA -0.340 54.468 54.840 -0.053 0.000 0.828 193 L CB 0.797 42.662 42.059 -0.324 0.000 1.227 193 L HN 0.924 nan 8.230 nan 0.000 0.415 194 C N 2.276 121.645 119.300 0.114 0.000 3.284 194 C HA 0.410 4.870 4.460 -0.000 0.000 0.338 194 C C 1.032 176.117 174.990 0.159 0.000 1.237 194 C CA -1.012 58.086 59.018 0.133 0.000 1.276 194 C CB 0.572 28.267 27.740 -0.076 0.000 1.601 194 C HN 1.050 nan 8.230 nan 0.000 0.494 195 W N 1.084 122.496 121.300 0.186 0.000 2.402 195 W HA 0.019 4.679 4.660 -0.000 0.000 0.286 195 W C 1.061 177.647 176.519 0.111 0.000 1.221 195 W CA 1.849 59.274 57.345 0.132 0.000 1.257 195 W CB -1.060 28.443 29.460 0.071 0.000 1.120 195 W HN 0.878 nan 8.180 nan 0.000 0.551 196 E N 0.952 120.496 120.200 -1.094 0.000 2.086 196 E HA -0.283 4.067 4.350 -0.000 0.000 0.200 196 E C 2.330 178.753 176.600 -0.296 0.000 1.012 196 E CA 2.943 58.733 56.400 -1.017 0.000 0.812 196 E CB -0.758 28.417 29.700 -0.875 0.000 0.743 196 E HN 0.420 nan 8.360 nan 0.000 0.453 197 M N -0.718 118.812 119.600 -0.116 0.000 2.357 197 M HA 0.134 4.614 4.480 -0.000 0.000 0.266 197 M C 2.037 178.486 176.300 0.248 0.000 1.095 197 M CA 1.217 56.561 55.300 0.074 0.000 1.156 197 M CB 0.168 32.840 32.600 0.120 0.000 1.365 197 M HN 0.130 nan 8.290 nan 0.000 0.447 198 A N 0.485 123.457 122.820 0.252 0.000 1.933 198 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 198 A C 2.352 180.116 177.584 0.300 0.000 1.175 198 A CA 1.739 53.969 52.037 0.321 0.000 0.628 198 A CB -1.708 17.463 19.000 0.285 0.000 0.814 198 A HN 0.880 nan 8.150 nan 0.000 0.444 199 C N -0.542 118.920 119.300 0.270 0.000 2.422 199 C HA -0.046 4.414 4.460 -0.000 0.000 0.279 199 C C 2.167 177.261 174.990 0.172 0.000 1.305 199 C CA 1.040 60.202 59.018 0.239 0.000 1.757 199 C CB -1.524 26.406 27.740 0.317 0.000 1.962 199 C HN 0.655 nan 8.230 nan 0.000 0.499 200 E N 0.275 120.554 120.200 0.132 0.000 2.150 200 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 200 E C 1.730 178.317 176.600 -0.021 0.000 0.985 200 E CA 1.377 57.785 56.400 0.014 0.000 0.814 200 E CB -0.289 29.361 29.700 -0.084 0.000 0.752 200 E HN 0.776 nan 8.360 nan 0.000 0.466 201 F N 0.985 121.001 119.950 0.109 0.000 2.234 201 F HA -0.094 4.433 4.527 -0.000 0.000 0.296 201 F C 2.196 178.022 175.800 0.043 0.000 1.089 201 F CA 0.944 59.010 58.000 0.109 0.000 1.343 201 F CB 0.008 39.055 39.000 0.079 0.000 1.040 201 F HN -0.046 nan 8.300 nan 0.000 0.498 202 D N 0.232 120.758 120.400 0.210 0.000 2.178 202 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 202 D C 2.224 178.581 176.300 0.096 0.000 0.974 202 D CA 1.116 55.185 54.000 0.114 0.000 0.841 202 D CB -0.146 40.718 40.800 0.107 0.000 0.953 202 D HN 0.167 nan 8.370 nan 0.000 0.478 203 A N 0.680 123.557 122.820 0.096 0.000 2.070 203 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 203 A C 2.158 179.775 177.584 0.055 0.000 1.159 203 A CA 1.641 53.718 52.037 0.067 0.000 0.656 203 A CB -0.707 18.327 19.000 0.056 0.000 0.800 203 A HN 0.516 nan 8.150 nan 0.000 0.453 204 M N -3.469 116.174 119.600 0.072 0.000 2.404 204 M HA 0.481 4.961 4.480 -0.000 0.000 0.271 204 M C 0.962 177.314 176.300 0.087 0.000 1.128 204 M CA 0.577 55.917 55.300 0.067 0.000 0.982 204 M CB 0.181 32.820 32.600 0.064 0.000 1.445 204 M HN 0.566 nan 8.290 nan 0.000 0.495 205 G N 1.034 109.884 108.800 0.085 0.000 2.179 205 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 205 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 205 G C 0.781 175.735 174.900 0.090 0.000 1.010 205 G CA 0.445 45.588 45.100 0.072 0.000 0.736 205 G HN 0.780 nan 8.290 nan 0.000 0.513 206 A N -1.024 121.872 122.820 0.127 0.000 2.072 206 A HA 0.616 4.936 4.320 -0.000 0.000 0.216 206 A C 1.334 178.815 177.584 -0.171 0.000 1.156 206 A CA 0.881 53.002 52.037 0.140 0.000 0.701 206 A CB 0.104 19.365 19.000 0.435 0.000 0.816 206 A HN 0.674 nan 8.150 nan 0.000 0.458 207 L N -0.327 120.758 121.223 -0.229 0.000 2.375 207 L HA 0.361 4.701 4.340 -0.000 0.000 0.268 207 L C 0.765 177.565 176.870 -0.116 0.000 1.058 207 L CA -0.609 54.027 54.840 -0.340 0.000 0.803 207 L CB 1.459 43.347 42.059 -0.284 0.000 1.212 207 L HN 0.144 nan 8.230 nan 0.000 0.451 208 S N -0.090 115.566 115.700 -0.073 0.000 2.549 208 S HA 0.158 4.628 4.470 -0.000 0.000 0.283 208 S C 0.704 175.317 174.600 0.022 0.000 1.320 208 S CA 0.225 58.451 58.200 0.042 0.000 1.058 208 S CB 0.456 63.717 63.200 0.102 0.000 0.882 208 S HN 0.839 nan 8.310 nan 0.000 0.498 209 T N 1.259 115.828 114.554 0.024 0.000 3.046 209 T HA 0.333 4.683 4.350 -0.000 0.000 0.270 209 T C 0.797 175.439 174.700 -0.097 0.000 0.920 209 T CA -0.442 61.624 62.100 -0.057 0.000 0.874 209 T CB -0.143 68.685 68.868 -0.068 0.000 1.214 209 T HN 0.594 nan 8.240 nan 0.000 0.536 210 K N 0.276 120.614 120.400 -0.104 0.000 2.404 210 K HA 0.254 4.574 4.320 -0.000 0.000 0.194 210 K C -0.343 175.935 176.600 -0.538 0.000 1.023 210 K CA 0.283 56.367 56.287 -0.339 0.000 1.094 210 K CB 0.153 32.369 32.500 -0.473 0.000 0.841 210 K HN 0.465 nan 8.250 nan 0.000 0.523 211 Y N -0.180 120.109 120.300 -0.019 0.000 2.716 211 Y HA 0.206 4.756 4.550 -0.000 0.000 0.260 211 Y C 0.887 176.794 175.900 0.013 0.000 1.141 211 Y CA -0.718 57.380 58.100 -0.002 0.000 1.168 211 Y CB 0.041 38.508 38.460 0.012 0.000 1.189 211 Y HN 0.001 nan 8.280 nan 0.000 0.549 212 N N 0.830 119.581 118.700 0.085 0.000 2.104 212 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 212 N C 0.946 176.542 175.510 0.143 0.000 1.024 212 N CA 1.757 54.883 53.050 0.127 0.000 0.853 212 N CB -0.060 38.462 38.487 0.057 0.000 1.008 212 N HN 0.441 nan 8.380 nan 0.000 0.424 213 D N -0.150 120.289 120.400 0.065 0.000 2.218 213 D HA -0.072 4.568 4.640 -0.000 0.000 0.204 213 D C 0.698 177.028 176.300 0.050 0.000 0.976 213 D CA 1.067 55.080 54.000 0.022 0.000 0.853 213 D CB -0.179 40.618 40.800 -0.004 0.000 0.939 213 D HN 0.386 nan 8.370 nan 0.000 0.481 214 T N -2.706 111.911 114.554 0.105 0.000 3.410 214 T HA 0.372 4.722 4.350 -0.000 0.000 0.328 214 T C -2.323 172.454 174.700 0.128 0.000 1.567 214 T CA -1.778 60.386 62.100 0.106 0.000 1.626 214 T CB 1.832 70.768 68.868 0.113 0.000 0.939 214 T HN -0.268 nan 8.240 nan 0.000 0.656 215 P HA -0.161 nan 4.420 nan 0.000 0.216 215 P C 1.250 178.604 177.300 0.090 0.000 1.154 215 P CA 1.281 64.465 63.100 0.139 0.000 0.865 215 P CB 0.125 31.930 31.700 0.174 0.000 0.789 216 E N -0.926 119.314 120.200 0.066 0.000 2.516 216 E HA -0.090 4.260 4.350 -0.000 0.000 0.199 216 E C 1.090 177.684 176.600 -0.010 0.000 1.069 216 E CA 0.600 57.020 56.400 0.032 0.000 0.876 216 E CB -0.168 29.550 29.700 0.029 0.000 0.843 216 E HN 0.386 nan 8.360 nan 0.000 0.530 217 K N -0.772 119.609 120.400 -0.032 0.000 2.402 217 K HA 0.242 4.562 4.320 -0.000 0.000 0.204 217 K C 1.502 177.909 176.600 -0.322 0.000 1.056 217 K CA 0.164 56.370 56.287 -0.135 0.000 1.069 217 K CB 0.999 33.438 32.500 -0.101 0.000 0.888 217 K HN -0.043 nan 8.250 nan 0.000 0.546 218 A N 1.414 124.128 122.820 -0.176 0.000 1.858 218 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 218 A C 1.405 178.882 177.584 -0.178 0.000 1.190 218 A CA 1.235 53.169 52.037 -0.173 0.000 0.617 218 A CB -0.220 18.814 19.000 0.057 0.000 0.827 218 A HN 0.172 nan 8.150 nan 0.000 0.443 219 S N 0.882 116.530 115.700 -0.085 0.000 2.430 219 S HA 0.371 4.841 4.470 -0.000 0.000 0.282 219 S C 0.237 174.772 174.600 -0.108 0.000 1.186 219 S CA -0.540 57.624 58.200 -0.059 0.000 1.060 219 S CB -0.261 62.930 63.200 -0.016 0.000 0.966 219 S HN 0.469 nan 8.310 nan 0.000 0.501 220 R N 2.936 123.363 120.500 -0.120 0.000 2.655 220 R HA 0.192 4.532 4.340 -0.000 0.000 0.261 220 R C -0.842 175.391 176.300 -0.111 0.000 1.624 220 R CA -0.645 55.386 56.100 -0.115 0.000 1.655 220 R CB -0.864 29.348 30.300 -0.147 0.000 1.356 220 R HN 0.415 nan 8.270 nan 0.000 0.684 221 T N 2.419 116.860 114.554 -0.190 0.000 2.866 221 T HA -0.056 4.294 4.350 -0.000 0.000 0.293 221 T C -0.009 174.475 174.700 -0.361 0.000 1.005 221 T CA 0.888 62.738 62.100 -0.417 0.000 1.162 221 T CB -0.165 68.312 68.868 -0.652 0.000 0.968 221 T HN 0.580 nan 8.240 nan 0.000 0.530 222 Y N -1.148 119.161 120.300 0.015 0.000 4.766 222 Y HA -0.221 4.329 4.550 -0.000 0.000 0.289 222 Y C 0.771 176.680 175.900 0.015 0.000 0.965 222 Y CA 0.461 58.571 58.100 0.017 0.000 1.738 222 Y CB -2.220 36.248 38.460 0.013 0.000 1.062 222 Y HN 0.776 nan 8.280 nan 0.000 0.440 223 D N 0.708 121.177 120.400 0.116 0.000 2.399 223 D HA 0.503 5.143 4.640 -0.000 0.000 0.241 223 D C 1.324 177.664 176.300 0.067 0.000 1.133 223 D CA 0.857 54.914 54.000 0.095 0.000 0.890 223 D CB 1.233 42.075 40.800 0.070 0.000 1.201 223 D HN 0.298 nan 8.370 nan 0.000 0.432 224 A N 2.957 125.795 122.820 0.029 0.000 2.070 224 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 224 A C 0.986 178.387 177.584 -0.305 0.000 1.159 224 A CA 1.303 53.253 52.037 -0.145 0.000 0.656 224 A CB -0.524 18.332 19.000 -0.240 0.000 0.800 224 A HN 0.758 nan 8.150 nan 0.000 0.453 225 H N -0.410 118.717 119.070 0.096 0.000 2.472 225 H HA 0.217 4.773 4.556 -0.000 0.000 0.287 225 H C 0.294 175.731 175.328 0.181 0.000 1.112 225 H CA -0.412 55.724 56.048 0.146 0.000 1.021 225 H CB 0.026 29.908 29.762 0.199 0.000 1.635 225 H HN 0.581 nan 8.280 nan 0.000 0.559 226 R N 1.191 121.786 120.500 0.158 0.000 2.594 226 R HA 0.091 4.431 4.340 -0.000 0.000 0.272 226 R C -0.490 175.909 176.300 0.166 0.000 1.074 226 R CA -0.001 56.172 56.100 0.122 0.000 1.105 226 R CB 0.580 30.910 30.300 0.050 0.000 1.008 226 R HN 0.219 nan 8.270 nan 0.000 0.472 227 D N 0.761 121.275 120.400 0.190 0.000 2.837 227 D HA 0.232 4.872 4.640 -0.000 0.000 0.340 227 D C 0.009 176.380 176.300 0.118 0.000 1.451 227 D CA -0.092 54.004 54.000 0.161 0.000 0.798 227 D CB 0.501 41.413 40.800 0.186 0.000 1.169 227 D HN 0.906 nan 8.370 nan 0.000 0.449 228 G N 0.468 109.336 108.800 0.112 0.000 2.406 228 G HA2 0.220 4.180 3.960 -0.000 0.000 0.680 228 G HA3 0.220 4.180 3.960 -0.000 0.000 0.680 228 G C -0.590 174.374 174.900 0.106 0.000 1.338 228 G CA -0.725 44.431 45.100 0.093 0.000 0.941 228 G HN 0.303 nan 8.290 nan 0.000 0.633 229 F N -0.321 119.670 119.950 0.068 0.000 2.378 229 F HA 0.795 5.322 4.527 -0.000 0.000 0.319 229 F C 0.270 176.094 175.800 0.039 0.000 1.155 229 F CA -1.396 56.626 58.000 0.036 0.000 1.157 229 F CB 1.196 40.229 39.000 0.055 0.000 1.252 229 F HN 0.395 nan 8.300 nan 0.000 0.550 230 V N 4.413 124.516 119.914 0.315 0.000 2.328 230 V HA 0.245 4.365 4.120 -0.000 0.000 0.278 230 V C 0.298 176.596 176.094 0.341 0.000 1.021 230 V CA -0.846 61.571 62.300 0.195 0.000 0.838 230 V CB 0.924 32.836 31.823 0.148 0.000 0.999 230 V HN 0.845 nan 8.190 nan 0.000 0.447 231 I N 4.641 125.357 120.570 0.244 0.000 2.752 231 I HA 0.432 4.602 4.170 -0.000 0.000 0.287 231 I C 0.556 176.789 176.117 0.193 0.000 1.188 231 I CA 0.639 62.096 61.300 0.261 0.000 1.427 231 I CB 0.776 38.858 38.000 0.138 0.000 1.365 231 I HN 0.802 nan 8.210 nan 0.000 0.585 232 A N 4.909 127.790 122.820 0.101 0.000 2.569 232 A HA 0.877 5.197 4.320 -0.000 0.000 0.290 232 A C -0.609 176.948 177.584 -0.045 0.000 1.136 232 A CA -0.102 51.943 52.037 0.014 0.000 0.710 232 A CB 1.380 20.395 19.000 0.026 0.000 1.303 232 A HN 0.822 nan 8.150 nan 0.000 0.413 233 G N -1.685 107.042 108.800 -0.122 0.000 2.730 233 G HA2 0.935 4.895 3.960 -0.000 0.000 0.289 233 G HA3 0.935 4.895 3.960 -0.000 0.000 0.289 233 G C -0.067 174.705 174.900 -0.214 0.000 1.341 233 G CA -0.253 44.791 45.100 -0.093 0.000 0.932 233 G HN 2.289 nan 8.290 nan 0.000 0.481 234 G N -2.095 106.570 108.800 -0.224 0.000 2.357 234 G HA2 0.612 4.572 3.960 -0.000 0.000 0.289 234 G HA3 0.612 4.572 3.960 -0.000 0.000 0.289 234 G C -0.354 174.509 174.900 -0.061 0.000 1.302 234 G CA 0.190 45.013 45.100 -0.463 0.000 0.936 234 G HN 1.929 nan 8.290 nan 0.000 0.513 235 G N -1.911 106.854 108.800 -0.058 0.000 2.682 235 G HA2 1.058 5.018 3.960 -0.000 0.000 0.290 235 G HA3 1.058 5.018 3.960 -0.000 0.000 0.290 235 G C -0.310 174.580 174.900 -0.017 0.000 1.425 235 G CA 0.290 45.421 45.100 0.051 0.000 0.807 235 G HN 2.132 nan 8.290 nan 0.000 0.482 236 G N -1.432 107.356 108.800 -0.019 0.000 2.632 236 G HA2 0.674 4.634 3.960 -0.000 0.000 0.292 236 G HA3 0.674 4.634 3.960 -0.000 0.000 0.292 236 G C -1.727 173.139 174.900 -0.057 0.000 1.465 236 G CA -0.531 44.529 45.100 -0.065 0.000 0.824 236 G HN 1.033 nan 8.290 nan 0.000 0.509 237 M N 0.614 120.170 119.600 -0.073 0.000 2.426 237 M HA 0.654 5.134 4.480 -0.000 0.000 0.289 237 M C -1.159 175.095 176.300 -0.078 0.000 1.168 237 M CA -0.608 54.654 55.300 -0.063 0.000 0.933 237 M CB 2.239 34.806 32.600 -0.056 0.000 1.750 237 M HN 1.315 nan 8.290 nan 0.000 0.494 238 V N 1.106 120.971 119.914 -0.082 0.000 3.040 238 V HA 0.910 5.030 4.120 -0.000 0.000 0.312 238 V C -1.268 174.746 176.094 -0.134 0.000 1.115 238 V CA -0.930 61.305 62.300 -0.108 0.000 0.998 238 V CB 1.975 33.717 31.823 -0.136 0.000 1.042 238 V HN 0.613 nan 8.190 nan 0.000 0.433 239 V N 2.854 122.666 119.914 -0.169 0.000 2.304 239 V HA 0.327 4.447 4.120 -0.000 0.000 0.269 239 V C 0.114 176.053 176.094 -0.257 0.000 1.036 239 V CA -0.366 61.742 62.300 -0.320 0.000 0.840 239 V CB 1.018 32.647 31.823 -0.323 0.000 1.036 239 V HN 0.713 nan 8.190 nan 0.000 0.466 240 V N 5.100 124.849 119.914 -0.275 0.000 2.432 240 V HA 0.395 4.515 4.120 -0.000 0.000 0.271 240 V C 0.182 176.137 176.094 -0.232 0.000 1.046 240 V CA -0.090 62.087 62.300 -0.205 0.000 0.945 240 V CB 1.175 32.889 31.823 -0.181 0.000 0.992 240 V HN 0.947 nan 8.190 nan 0.000 0.471 241 E N 2.931 123.027 120.200 -0.173 0.000 2.340 241 E HA 0.317 4.667 4.350 -0.000 0.000 0.273 241 E C -0.810 175.726 176.600 -0.106 0.000 0.891 241 E CA -0.777 55.521 56.400 -0.170 0.000 0.757 241 E CB 1.800 31.412 29.700 -0.146 0.000 1.231 241 E HN 0.671 nan 8.360 nan 0.000 0.439 242 E N 3.809 123.946 120.200 -0.106 0.000 2.376 242 E HA -0.032 4.318 4.350 -0.000 0.000 0.266 242 E C 0.869 177.472 176.600 0.005 0.000 1.009 242 E CA -0.072 56.301 56.400 -0.044 0.000 0.902 242 E CB 1.069 30.746 29.700 -0.037 0.000 0.972 242 E HN 0.640 nan 8.360 nan 0.000 0.439 243 L N 5.943 127.165 121.223 -0.001 0.000 1.976 243 L HA -0.283 4.057 4.340 -0.000 0.000 0.223 243 L C 1.921 178.804 176.870 0.021 0.000 1.081 243 L CA 2.082 56.924 54.840 0.003 0.000 0.784 243 L CB -0.452 41.605 42.059 -0.004 0.000 0.896 243 L HN 0.575 nan 8.230 nan 0.000 0.438 244 E N -1.048 119.170 120.200 0.029 0.000 2.058 244 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 244 E C 2.249 178.873 176.600 0.040 0.000 0.997 244 E CA 1.606 58.021 56.400 0.026 0.000 0.801 244 E CB -0.847 28.869 29.700 0.026 0.000 0.746 244 E HN 0.697 nan 8.360 nan 0.000 0.450 245 H N 0.626 119.680 119.070 -0.027 0.000 2.352 245 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 245 H C 1.848 177.156 175.328 -0.033 0.000 1.097 245 H CA 1.764 57.796 56.048 -0.027 0.000 1.311 245 H CB 0.124 29.867 29.762 -0.031 0.000 1.377 245 H HN 0.133 nan 8.280 nan 0.000 0.504 246 A N 0.912 123.813 122.820 0.134 0.000 1.930 246 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 246 A C 2.867 180.447 177.584 -0.006 0.000 1.175 246 A CA 1.042 53.115 52.037 0.061 0.000 0.627 246 A CB -0.649 18.362 19.000 0.018 0.000 0.815 246 A HN 0.401 nan 8.150 nan 0.000 0.443 247 L N -0.911 120.303 121.223 -0.015 0.000 2.044 247 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 247 L C 3.046 179.888 176.870 -0.045 0.000 1.075 247 L CA 0.919 55.741 54.840 -0.030 0.000 0.747 247 L CB -0.612 41.432 42.059 -0.024 0.000 0.903 247 L HN 0.390 nan 8.230 nan 0.000 0.435 248 A N 1.082 123.863 122.820 -0.065 0.000 2.032 248 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 248 A C 2.159 179.681 177.584 -0.103 0.000 1.165 248 A CA 1.860 53.842 52.037 -0.091 0.000 0.645 248 A CB -0.591 18.330 19.000 -0.131 0.000 0.807 248 A HN 0.602 nan 8.150 nan 0.000 0.453 249 R N -1.462 118.973 120.500 -0.109 0.000 2.507 249 R HA 0.381 4.721 4.340 -0.000 0.000 0.298 249 R C 0.873 177.149 176.300 -0.041 0.000 0.999 249 R CA 0.508 56.557 56.100 -0.084 0.000 1.082 249 R CB -0.739 29.501 30.300 -0.100 0.000 1.246 249 R HN 0.667 nan 8.270 nan 0.000 0.553 250 G N 0.830 109.608 108.800 -0.036 0.000 2.305 250 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.287 250 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.287 250 G C 0.275 175.168 174.900 -0.011 0.000 1.036 250 G CA 0.297 45.383 45.100 -0.022 0.000 0.887 250 G HN 0.716 nan 8.290 nan 0.000 0.505 251 A N -0.383 122.430 122.820 -0.013 0.000 2.351 251 A HA 0.608 4.928 4.320 -0.000 0.000 0.257 251 A C 0.360 177.937 177.584 -0.011 0.000 1.087 251 A CA 0.127 52.163 52.037 -0.003 0.000 0.798 251 A CB 0.360 19.357 19.000 -0.006 0.000 1.033 251 A HN 1.306 nan 8.150 nan 0.000 0.488 252 H N 1.586 120.590 119.070 -0.110 0.000 2.800 252 H HA 0.454 5.010 4.556 -0.000 0.000 0.291 252 H C -0.635 174.560 175.328 -0.222 0.000 1.076 252 H CA -0.308 55.629 56.048 -0.184 0.000 1.452 252 H CB -0.094 29.518 29.762 -0.250 0.000 1.461 252 H HN 0.425 nan 8.280 nan 0.000 0.488 253 I N 7.267 127.472 120.570 -0.609 0.000 2.297 253 I HA -0.001 4.169 4.170 -0.000 0.000 0.291 253 I C 0.204 175.953 176.117 -0.612 0.000 1.033 253 I CA -0.425 60.596 61.300 -0.466 0.000 1.253 253 I CB 0.632 38.499 38.000 -0.221 0.000 1.396 253 I HN 0.730 nan 8.210 nan 0.000 0.476 254 Y N 5.274 125.334 120.300 -0.400 0.000 2.109 254 Y HA 0.069 4.619 4.550 -0.000 0.000 0.285 254 Y C 1.337 177.147 175.900 -0.150 0.000 1.131 254 Y CA 1.311 59.263 58.100 -0.247 0.000 1.121 254 Y CB 0.056 38.450 38.460 -0.109 0.000 0.987 254 Y HN 0.677 nan 8.280 nan 0.000 0.495 255 A N -1.021 121.833 122.820 0.057 0.000 2.564 255 A HA 0.454 4.774 4.320 -0.000 0.000 0.291 255 A C -1.456 176.125 177.584 -0.005 0.000 1.102 255 A CA -0.785 51.260 52.037 0.014 0.000 0.660 255 A CB 0.867 19.885 19.000 0.031 0.000 1.283 255 A HN 0.083 nan 8.150 nan 0.000 0.430 256 E N 0.316 120.512 120.200 -0.008 0.000 2.179 256 E HA 0.592 4.942 4.350 -0.000 0.000 0.275 256 E C -1.258 175.340 176.600 -0.004 0.000 0.945 256 E CA -0.612 55.782 56.400 -0.011 0.000 0.792 256 E CB 0.976 30.671 29.700 -0.008 0.000 1.125 256 E HN 0.474 nan 8.360 nan 0.000 0.397 257 I N 5.998 126.562 120.570 -0.010 0.000 2.311 257 I HA 0.017 4.187 4.170 -0.000 0.000 0.297 257 I C 1.195 177.325 176.117 0.022 0.000 1.131 257 I CA -0.244 61.055 61.300 -0.001 0.000 1.289 257 I CB 0.603 38.587 38.000 -0.027 0.000 1.446 257 I HN 0.494 nan 8.210 nan 0.000 0.524 258 V N 2.484 122.418 119.914 0.034 0.000 3.541 258 V HA 0.411 4.531 4.120 -0.000 0.000 0.267 258 V C 0.829 176.965 176.094 0.070 0.000 1.213 258 V CA 0.357 62.684 62.300 0.045 0.000 1.149 258 V CB -0.429 31.416 31.823 0.036 0.000 0.822 258 V HN 0.678 nan 8.190 nan 0.000 0.462 259 G N -0.602 108.250 108.800 0.087 0.000 2.746 259 G HA2 0.540 4.500 3.960 -0.000 0.000 0.297 259 G HA3 0.540 4.500 3.960 -0.000 0.000 0.297 259 G C -2.251 172.761 174.900 0.187 0.000 1.426 259 G CA -0.562 44.609 45.100 0.118 0.000 0.989 259 G HN 0.313 nan 8.290 nan 0.000 0.520 260 Y N 1.490 121.809 120.300 0.030 0.000 2.301 260 Y HA 0.650 5.200 4.550 -0.000 0.000 0.325 260 Y C -0.077 175.847 175.900 0.040 0.000 1.103 260 Y CA -1.244 56.874 58.100 0.029 0.000 1.182 260 Y CB 1.500 39.977 38.460 0.028 0.000 1.139 260 Y HN 0.819 nan 8.280 nan 0.000 0.443 261 G N 3.030 111.752 108.800 -0.130 0.000 2.371 261 G HA2 0.716 4.676 3.960 -0.000 0.000 0.326 261 G HA3 0.716 4.676 3.960 -0.000 0.000 0.326 261 G C -1.482 173.236 174.900 -0.304 0.000 1.127 261 G CA -0.556 44.402 45.100 -0.237 0.000 0.885 261 G HN 1.162 nan 8.290 nan 0.000 0.477 262 A N 1.565 124.219 122.820 -0.276 0.000 2.530 262 A HA 0.788 5.108 4.320 -0.000 0.000 0.279 262 A C 0.008 177.582 177.584 -0.017 0.000 1.109 262 A CA -0.130 51.869 52.037 -0.062 0.000 0.763 262 A CB 0.995 19.917 19.000 -0.129 0.000 1.257 262 A HN 1.448 nan 8.150 nan 0.000 0.424 263 T N -1.447 113.140 114.554 0.056 0.000 2.831 263 T HA 0.864 5.214 4.350 -0.000 0.000 0.287 263 T C -0.206 174.521 174.700 0.045 0.000 1.070 263 T CA -0.544 61.569 62.100 0.021 0.000 1.010 263 T CB 1.813 70.679 68.868 -0.004 0.000 1.264 263 T HN 1.252 nan 8.240 nan 0.000 0.532 264 S N -0.961 114.746 115.700 0.012 0.000 2.536 264 S HA 0.455 4.925 4.470 -0.000 0.000 0.287 264 S C -0.155 174.441 174.600 -0.007 0.000 1.101 264 S CA -0.642 57.567 58.200 0.015 0.000 0.950 264 S CB 1.562 64.767 63.200 0.009 0.000 1.056 264 S HN 0.697 nan 8.310 nan 0.000 0.481 265 D N 2.674 123.069 120.400 -0.008 0.000 2.137 265 D HA 0.151 4.791 4.640 -0.000 0.000 0.202 265 D C 1.449 177.739 176.300 -0.017 0.000 0.970 265 D CA 1.459 55.444 54.000 -0.025 0.000 0.837 265 D CB -0.540 40.242 40.800 -0.029 0.000 0.981 265 D HN 1.052 nan 8.370 nan 0.000 0.475 266 G N 0.235 109.032 108.800 -0.006 0.000 2.273 266 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.280 266 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.280 266 G C 0.641 175.536 174.900 -0.009 0.000 1.047 266 G CA 0.917 46.014 45.100 -0.006 0.000 0.869 266 G HN 0.634 nan 8.290 nan 0.000 0.502 267 A N -1.138 121.677 122.820 -0.008 0.000 1.780 267 A HA 0.654 4.974 4.320 -0.000 0.000 0.178 267 A C 0.269 177.848 177.584 -0.009 0.000 2.054 267 A CA 0.902 52.933 52.037 -0.010 0.000 1.289 267 A CB 0.542 19.533 19.000 -0.015 0.000 0.942 267 A HN 0.273 nan 8.150 nan 0.000 0.659 268 D N -0.357 120.038 120.400 -0.010 0.000 2.252 268 D HA 0.493 5.133 4.640 -0.000 0.000 0.245 268 D C 0.826 177.115 176.300 -0.018 0.000 1.009 268 D CA -0.560 53.430 54.000 -0.017 0.000 0.870 268 D CB 1.282 42.070 40.800 -0.020 0.000 1.251 268 D HN 0.057 nan 8.370 nan 0.000 0.460 269 M N 0.793 120.368 119.600 -0.042 0.000 2.200 269 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 269 M C 1.523 177.734 176.300 -0.149 0.000 1.066 269 M CA 1.221 56.486 55.300 -0.057 0.000 1.127 269 M CB -0.198 32.360 32.600 -0.070 0.000 1.379 269 M HN 0.412 nan 8.290 nan 0.000 0.420 270 V N -4.079 115.690 119.914 -0.243 0.000 3.432 270 V HA 0.594 4.714 4.120 -0.000 0.000 0.298 270 V C 0.517 176.510 176.094 -0.168 0.000 1.464 270 V CA -0.131 61.858 62.300 -0.518 0.000 1.046 270 V CB -0.472 30.909 31.823 -0.736 0.000 0.887 270 V HN 0.129 nan 8.190 nan 0.000 0.441 271 A N 2.419 125.212 122.820 -0.046 0.000 2.342 271 A HA 0.912 5.232 4.320 -0.000 0.000 0.323 271 A C -2.851 174.758 177.584 0.042 0.000 1.125 271 A CA -1.822 50.234 52.037 0.033 0.000 0.785 271 A CB 1.121 20.130 19.000 0.015 0.000 1.221 271 A HN 0.262 nan 8.150 nan 0.000 0.463 272 P HA 0.153 nan 4.420 nan 0.000 0.279 272 P C 0.641 177.924 177.300 -0.028 0.000 1.239 272 P CA -0.111 62.987 63.100 -0.003 0.000 0.789 272 P CB 1.644 33.331 31.700 -0.020 0.000 0.933 273 S N 1.515 117.180 115.700 -0.059 0.000 2.446 273 S HA 0.151 4.621 4.470 -0.000 0.000 0.225 273 S C 1.587 176.149 174.600 -0.064 0.000 1.016 273 S CA 0.986 59.156 58.200 -0.050 0.000 0.943 273 S CB -0.958 62.214 63.200 -0.048 0.000 0.786 273 S HN 0.739 nan 8.310 nan 0.000 0.508 274 G N 1.529 110.261 108.800 -0.113 0.000 2.527 274 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.218 274 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.218 274 G C 0.841 175.669 174.900 -0.120 0.000 1.177 274 G CA 0.455 45.486 45.100 -0.114 0.000 0.695 274 G HN 0.476 nan 8.290 nan 0.000 0.517 275 E N 0.956 121.103 120.200 -0.088 0.000 2.085 275 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 275 E C 2.647 179.192 176.600 -0.092 0.000 0.994 275 E CA 1.750 58.106 56.400 -0.074 0.000 0.801 275 E CB -0.675 28.993 29.700 -0.054 0.000 0.743 275 E HN 0.596 nan 8.360 nan 0.000 0.453 276 G N 0.538 109.268 108.800 -0.118 0.000 2.422 276 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 276 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 276 G C 1.616 176.419 174.900 -0.160 0.000 1.146 276 G CA 0.907 45.935 45.100 -0.120 0.000 0.769 276 G HN 0.398 nan 8.290 nan 0.000 0.547 277 A N 0.140 122.783 122.820 -0.295 0.000 1.902 277 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 277 A C 2.608 180.145 177.584 -0.079 0.000 1.181 277 A CA 1.769 53.598 52.037 -0.346 0.000 0.623 277 A CB -0.595 18.059 19.000 -0.575 0.000 0.818 277 A HN 0.242 nan 8.150 nan 0.000 0.443 278 V N 0.051 119.915 119.914 -0.083 0.000 2.261 278 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 278 V C 2.642 178.708 176.094 -0.047 0.000 1.047 278 V CA 2.323 64.592 62.300 -0.052 0.000 1.015 278 V CB -0.815 30.974 31.823 -0.057 0.000 0.642 278 V HN 0.531 nan 8.190 nan 0.000 0.446 279 R N -1.033 119.437 120.500 -0.050 0.000 2.096 279 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 279 R C 2.390 178.674 176.300 -0.028 0.000 1.127 279 R CA 1.650 57.725 56.100 -0.042 0.000 0.968 279 R CB -0.838 29.436 30.300 -0.044 0.000 0.861 279 R HN 0.590 nan 8.270 nan 0.000 0.440 280 C N 0.663 119.959 119.300 -0.006 0.000 2.453 280 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 280 C C 2.588 177.601 174.990 0.039 0.000 1.262 280 C CA 0.709 59.744 59.018 0.028 0.000 1.718 280 C CB -0.641 27.163 27.740 0.106 0.000 2.031 280 C HN 0.453 nan 8.230 nan 0.000 0.480 281 M N 0.279 119.914 119.600 0.059 0.000 2.117 281 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 281 M C 2.277 178.571 176.300 -0.011 0.000 1.065 281 M CA 1.821 57.151 55.300 0.049 0.000 1.114 281 M CB -0.495 32.141 32.600 0.059 0.000 1.361 281 M HN 0.387 nan 8.290 nan 0.000 0.408 282 K N 0.076 120.450 120.400 -0.043 0.000 2.097 282 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 282 K C 1.988 178.589 176.600 0.003 0.000 1.049 282 K CA 1.370 57.628 56.287 -0.049 0.000 0.933 282 K CB -0.235 32.233 32.500 -0.055 0.000 0.717 282 K HN 0.369 nan 8.250 nan 0.000 0.442 283 M N 0.385 119.980 119.600 -0.009 0.000 2.229 283 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 283 M C 1.987 178.295 176.300 0.014 0.000 1.063 283 M CA 1.561 56.850 55.300 -0.018 0.000 1.114 283 M CB -0.007 32.553 32.600 -0.067 0.000 1.387 283 M HN 0.131 nan 8.290 nan 0.000 0.420 284 A N 0.098 122.932 122.820 0.022 0.000 2.016 284 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 284 A C 1.906 179.534 177.584 0.073 0.000 1.162 284 A CA 1.115 53.185 52.037 0.055 0.000 0.662 284 A CB -0.497 18.544 19.000 0.068 0.000 0.812 284 A HN 0.626 nan 8.150 nan 0.000 0.450 285 M N -0.982 118.653 119.600 0.059 0.000 2.514 285 M HA 0.031 4.511 4.480 -0.000 0.000 0.258 285 M C 0.778 177.110 176.300 0.053 0.000 1.119 285 M CA 0.175 55.504 55.300 0.048 0.000 1.111 285 M CB -0.053 32.546 32.600 -0.001 0.000 1.390 285 M HN 0.446 nan 8.290 nan 0.000 0.475 286 H N 0.815 119.877 119.070 -0.013 0.000 3.157 286 H HA 0.022 4.578 4.556 -0.000 0.000 0.299 286 H C 1.027 176.355 175.328 -0.000 0.000 0.961 286 H CA 1.897 57.938 56.048 -0.012 0.000 1.428 286 H CB 0.359 30.111 29.762 -0.018 0.000 1.459 286 H HN 0.564 nan 8.280 nan 0.000 0.566 287 G N 3.949 112.548 108.800 -0.335 0.000 2.217 287 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 287 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 287 G C 0.188 175.049 174.900 -0.064 0.000 0.990 287 G CA 0.162 45.161 45.100 -0.167 0.000 0.627 287 G HN 0.631 nan 8.290 nan 0.000 0.522 288 V N 3.210 123.103 119.914 -0.036 0.000 2.387 288 V HA 0.319 4.439 4.120 -0.000 0.000 0.260 288 V C 1.319 177.404 176.094 -0.015 0.000 1.054 288 V CA 0.511 62.809 62.300 -0.004 0.000 0.967 288 V CB 1.111 32.948 31.823 0.024 0.000 1.036 288 V HN 0.515 nan 8.190 nan 0.000 0.481 289 D N 2.631 123.023 120.400 -0.013 0.000 2.363 289 D HA -0.045 4.595 4.640 -0.000 0.000 0.226 289 D C 0.838 177.139 176.300 0.002 0.000 1.020 289 D CA 0.322 54.314 54.000 -0.013 0.000 0.892 289 D CB -0.102 40.690 40.800 -0.014 0.000 0.900 289 D HN 0.594 nan 8.370 nan 0.000 0.531 290 T N -2.625 111.938 114.554 0.014 0.000 2.940 290 T HA 0.595 4.945 4.350 -0.000 0.000 0.288 290 T C -2.662 172.063 174.700 0.041 0.000 1.033 290 T CA -1.807 60.306 62.100 0.023 0.000 1.033 290 T CB 2.211 71.093 68.868 0.023 0.000 1.079 290 T HN -0.151 nan 8.240 nan 0.000 0.496 291 P HA 0.341 nan 4.420 nan 0.000 0.276 291 P C -0.514 176.830 177.300 0.074 0.000 1.244 291 P CA -0.696 62.447 63.100 0.072 0.000 0.801 291 P CB 0.571 32.305 31.700 0.057 0.000 1.006 292 I N 3.075 123.712 120.570 0.111 0.000 2.363 292 I HA 0.007 4.177 4.170 -0.000 0.000 0.292 292 I C 1.315 177.420 176.117 -0.019 0.000 1.075 292 I CA 0.326 61.664 61.300 0.063 0.000 1.333 292 I CB -0.133 37.932 38.000 0.108 0.000 1.415 292 I HN 0.313 nan 8.210 nan 0.000 0.502 293 D N 5.054 125.459 120.400 0.009 0.000 2.137 293 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 293 D C 0.215 176.540 176.300 0.042 0.000 0.970 293 D CA 1.645 55.655 54.000 0.017 0.000 0.837 293 D CB 0.221 41.045 40.800 0.041 0.000 0.981 293 D HN 0.525 nan 8.370 nan 0.000 0.475 294 Y N -0.006 120.240 120.300 -0.089 0.000 2.477 294 Y HA 0.506 5.056 4.550 -0.000 0.000 0.347 294 Y C -1.767 174.074 175.900 -0.098 0.000 0.981 294 Y CA -1.194 56.844 58.100 -0.103 0.000 1.033 294 Y CB 1.542 39.943 38.460 -0.098 0.000 1.245 294 Y HN -0.216 nan 8.280 nan 0.000 0.455 295 L N 7.043 127.601 121.223 -1.108 0.000 2.372 295 L HA 0.446 4.786 4.340 -0.000 0.000 0.273 295 L C -1.187 175.043 176.870 -1.066 0.000 0.989 295 L CA -0.496 53.840 54.840 -0.839 0.000 0.841 295 L CB 0.814 42.597 42.059 -0.460 0.000 1.225 295 L HN 0.776 nan 8.230 nan 0.000 0.414 296 N N 3.486 121.726 118.700 -0.765 0.000 2.415 296 N HA 0.116 4.856 4.740 -0.000 0.000 0.246 296 N C -0.316 175.097 175.510 -0.161 0.000 1.078 296 N CA -0.130 52.739 53.050 -0.302 0.000 0.942 296 N CB 1.052 39.569 38.487 0.051 0.000 1.140 296 N HN 0.705 nan 8.380 nan 0.000 0.501 297 S N 2.735 118.379 115.700 -0.093 0.000 2.614 297 S HA 0.030 4.500 4.470 -0.000 0.000 0.265 297 S C 1.279 175.855 174.600 -0.041 0.000 1.303 297 S CA -0.290 57.900 58.200 -0.018 0.000 1.000 297 S CB 1.240 64.512 63.200 0.120 0.000 0.935 297 S HN 0.737 nan 8.310 nan 0.000 0.551 298 H N 1.897 120.868 119.070 -0.165 0.000 2.389 298 H HA 0.151 4.707 4.556 -0.000 0.000 0.299 298 H C 1.545 176.760 175.328 -0.189 0.000 1.081 298 H CA 1.098 56.997 56.048 -0.249 0.000 1.345 298 H CB -1.073 28.503 29.762 -0.309 0.000 1.393 298 H HN 1.008 nan 8.280 nan 0.000 0.520 299 G N 1.041 109.744 108.800 -0.161 0.000 2.629 299 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.334 299 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.334 299 G C 1.076 175.717 174.900 -0.430 0.000 0.208 299 G CA 1.018 45.933 45.100 -0.308 0.000 1.166 299 G HN 0.751 nan 8.290 nan 0.000 0.475 300 T N -1.096 113.198 114.554 -0.433 0.000 3.100 300 T HA 0.311 4.661 4.350 -0.000 0.000 0.253 300 T C 1.386 176.021 174.700 -0.108 0.000 1.118 300 T CA 1.046 62.929 62.100 -0.361 0.000 1.058 300 T CB 0.189 68.844 68.868 -0.355 0.000 0.953 300 T HN 1.884 nan 8.240 nan 0.000 0.515 301 S N -0.221 115.394 115.700 -0.142 0.000 3.807 301 S HA -0.147 4.323 4.470 -0.000 0.000 0.304 301 S C 0.039 174.661 174.600 0.037 0.000 1.152 301 S CA 0.684 58.835 58.200 -0.081 0.000 0.852 301 S CB -2.186 60.985 63.200 -0.049 0.000 0.924 301 S HN 0.982 nan 8.310 nan 0.000 0.545 302 T N 0.672 115.266 114.554 0.067 0.000 2.895 302 T HA 0.638 4.988 4.350 -0.000 0.000 0.283 302 T C -1.463 173.300 174.700 0.106 0.000 1.014 302 T CA -1.530 60.652 62.100 0.136 0.000 1.037 302 T CB 1.280 70.279 68.868 0.218 0.000 1.006 302 T HN 0.063 nan 8.240 nan 0.000 0.468 303 P HA -0.119 nan 4.420 nan 0.000 0.213 303 P C 1.462 178.819 177.300 0.095 0.000 1.170 303 P CA 0.941 64.095 63.100 0.090 0.000 0.902 303 P CB 0.069 31.819 31.700 0.083 0.000 0.789 304 V N -0.520 119.457 119.914 0.105 0.000 2.331 304 V HA -0.061 4.059 4.120 -0.000 0.000 0.242 304 V C 2.613 178.782 176.094 0.125 0.000 1.034 304 V CA 2.319 64.681 62.300 0.103 0.000 1.027 304 V CB -1.941 29.938 31.823 0.093 0.000 0.667 304 V HN 0.164 nan 8.190 nan 0.000 0.457 305 G N 0.091 108.985 108.800 0.157 0.000 2.513 305 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.219 305 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.219 305 G C 1.165 176.181 174.900 0.194 0.000 1.160 305 G CA 1.457 46.674 45.100 0.195 0.000 0.767 305 G HN 0.503 nan 8.290 nan 0.000 0.571 306 D N 0.013 120.506 120.400 0.154 0.000 2.126 306 D HA -0.158 4.482 4.640 -0.000 0.000 0.190 306 D C 2.864 179.329 176.300 0.274 0.000 1.001 306 D CA 2.077 56.178 54.000 0.170 0.000 0.841 306 D CB -0.570 40.278 40.800 0.081 0.000 0.949 306 D HN 0.374 nan 8.370 nan 0.000 0.446 307 V N -1.662 118.372 119.914 0.200 0.000 2.871 307 V HA 0.015 4.135 4.120 -0.000 0.000 0.256 307 V C 2.041 178.210 176.094 0.124 0.000 1.082 307 V CA 0.952 63.348 62.300 0.160 0.000 1.105 307 V CB -0.394 31.496 31.823 0.112 0.000 0.713 307 V HN -0.089 nan 8.190 nan 0.000 0.473 308 K N 1.349 121.822 120.400 0.122 0.000 2.057 308 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 308 K C 2.238 178.890 176.600 0.088 0.000 1.050 308 K CA 1.969 58.306 56.287 0.083 0.000 0.935 308 K CB -0.376 32.168 32.500 0.072 0.000 0.715 308 K HN 0.729 nan 8.250 nan 0.000 0.439 309 E N -0.111 120.185 120.200 0.160 0.000 2.107 309 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 309 E C 1.840 178.549 176.600 0.182 0.000 0.982 309 E CA 0.725 57.251 56.400 0.211 0.000 0.809 309 E CB -0.018 29.912 29.700 0.383 0.000 0.756 309 E HN 0.236 nan 8.360 nan 0.000 0.459 310 L N 0.552 121.876 121.223 0.169 0.000 2.046 310 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 310 L C 2.693 179.606 176.870 0.071 0.000 1.077 310 L CA 1.132 56.028 54.840 0.092 0.000 0.747 310 L CB -0.497 41.587 42.059 0.042 0.000 0.896 310 L HN 0.238 nan 8.230 nan 0.000 0.432 311 A N -0.069 122.791 122.820 0.067 0.000 1.933 311 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 311 A C 2.521 180.132 177.584 0.045 0.000 1.175 311 A CA 1.647 53.712 52.037 0.046 0.000 0.628 311 A CB -0.605 18.416 19.000 0.034 0.000 0.814 311 A HN 0.405 nan 8.150 nan 0.000 0.444 312 A N -0.061 122.789 122.820 0.050 0.000 1.898 312 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 312 A C 2.108 179.740 177.584 0.080 0.000 1.181 312 A CA 1.431 53.490 52.037 0.036 0.000 0.620 312 A CB -0.569 18.438 19.000 0.011 0.000 0.819 312 A HN 0.490 nan 8.150 nan 0.000 0.442 313 I N -1.105 119.552 120.570 0.144 0.000 2.179 313 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 313 I C 2.676 178.944 176.117 0.251 0.000 1.088 313 I CA 1.670 63.123 61.300 0.255 0.000 1.357 313 I CB -0.250 37.878 38.000 0.213 0.000 1.051 313 I HN 0.249 nan 8.210 nan 0.000 0.409 314 R N 1.321 121.903 120.500 0.136 0.000 2.105 314 R HA -0.237 4.103 4.340 -0.000 0.000 0.239 314 R C 2.064 178.409 176.300 0.075 0.000 1.135 314 R CA 1.784 57.946 56.100 0.103 0.000 0.967 314 R CB -0.446 29.886 30.300 0.053 0.000 0.861 314 R HN 0.311 nan 8.270 nan 0.000 0.442 315 E N -0.629 119.596 120.200 0.042 0.000 2.106 315 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 315 E C 1.728 178.300 176.600 -0.046 0.000 0.984 315 E CA 1.489 57.889 56.400 -0.000 0.000 0.806 315 E CB -0.144 29.549 29.700 -0.011 0.000 0.750 315 E HN 0.181 nan 8.360 nan 0.000 0.458 316 V N -0.317 119.545 119.914 -0.086 0.000 2.346 316 V HA -0.118 4.002 4.120 -0.000 0.000 0.244 316 V C 1.619 177.446 176.094 -0.443 0.000 1.037 316 V CA 1.688 63.800 62.300 -0.312 0.000 1.029 316 V CB -0.466 31.057 31.823 -0.499 0.000 0.663 316 V HN 0.250 nan 8.190 nan 0.000 0.454 317 F N -0.086 119.863 119.950 -0.002 0.000 2.749 317 F HA 0.514 5.041 4.527 -0.000 0.000 0.300 317 F C 1.809 177.605 175.800 -0.007 0.000 1.103 317 F CA 0.524 58.520 58.000 -0.005 0.000 1.342 317 F CB -0.417 38.577 39.000 -0.010 0.000 1.098 317 F HN 0.251 nan 8.300 nan 0.000 0.586 318 G N 1.025 109.896 108.800 0.119 0.000 2.629 318 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.313 318 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.313 318 G C 0.710 175.660 174.900 0.083 0.000 1.217 318 G CA 0.816 45.961 45.100 0.073 0.000 0.994 318 G HN 0.273 nan 8.290 nan 0.000 0.549 319 D N 1.470 121.908 120.400 0.063 0.000 2.349 319 D HA 0.148 4.788 4.640 -0.000 0.000 0.214 319 D C 1.061 177.390 176.300 0.048 0.000 1.063 319 D CA 0.455 54.482 54.000 0.045 0.000 0.847 319 D CB 0.256 41.073 40.800 0.028 0.000 0.933 319 D HN 0.473 nan 8.370 nan 0.000 0.513 320 K N 0.910 121.359 120.400 0.082 0.000 3.045 320 K HA 0.164 4.484 4.320 -0.000 0.000 0.214 320 K C 0.094 176.728 176.600 0.057 0.000 1.213 320 K CA -0.230 56.100 56.287 0.071 0.000 1.111 320 K CB 1.085 33.639 32.500 0.090 0.000 1.454 320 K HN -0.176 nan 8.250 nan 0.000 0.498 321 S N 2.713 118.407 115.700 -0.010 0.000 2.560 321 S HA 0.160 4.630 4.470 -0.000 0.000 0.284 321 S C -1.726 172.716 174.600 -0.263 0.000 1.327 321 S CA -1.040 57.063 58.200 -0.161 0.000 1.055 321 S CB 0.334 63.465 63.200 -0.114 0.000 0.868 321 S HN 0.248 nan 8.310 nan 0.000 0.506 322 P HA 0.353 nan 4.420 nan 0.000 0.278 322 P C -0.987 176.171 177.300 -0.236 0.000 1.266 322 P CA -0.688 62.195 63.100 -0.361 0.000 0.807 322 P CB 0.554 31.928 31.700 -0.542 0.000 1.094 323 A N 1.176 123.932 122.820 -0.107 0.000 2.477 323 A HA 0.416 4.736 4.320 -0.000 0.000 0.246 323 A C 0.293 177.840 177.584 -0.061 0.000 1.078 323 A CA -0.029 52.000 52.037 -0.014 0.000 0.770 323 A CB -0.785 18.282 19.000 0.111 0.000 1.011 323 A HN 0.442 nan 8.150 nan 0.000 0.494 324 I N 1.819 122.358 120.570 -0.052 0.000 2.545 324 I HA 0.533 4.703 4.170 -0.000 0.000 0.292 324 I C -0.016 176.140 176.117 0.065 0.000 1.040 324 I CA -0.288 60.953 61.300 -0.097 0.000 1.068 324 I CB 2.461 40.373 38.000 -0.146 0.000 1.251 324 I HN 0.744 nan 8.210 nan 0.000 0.424 325 S N 3.681 119.460 115.700 0.132 0.000 2.533 325 S HA 0.806 5.276 4.470 -0.000 0.000 0.271 325 S C -0.972 173.737 174.600 0.181 0.000 1.143 325 S CA -0.818 57.510 58.200 0.212 0.000 0.891 325 S CB 1.947 65.297 63.200 0.250 0.000 1.105 325 S HN 0.786 nan 8.310 nan 0.000 0.468 326 A N 2.337 125.253 122.820 0.159 0.000 2.341 326 A HA 0.588 4.907 4.320 -0.000 0.000 0.326 326 A C 1.216 178.792 177.584 -0.013 0.000 1.402 326 A CA -0.216 51.840 52.037 0.032 0.000 0.957 326 A CB -0.295 18.638 19.000 -0.112 0.000 1.151 326 A HN 1.350 nan 8.150 nan 0.000 0.533 327 T N 0.031 114.584 114.554 -0.002 0.000 3.051 327 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 327 T C 1.381 176.024 174.700 -0.095 0.000 1.127 327 T CA 1.295 63.357 62.100 -0.063 0.000 1.107 327 T CB -0.288 68.523 68.868 -0.095 0.000 0.898 327 T HN 0.633 nan 8.240 nan 0.000 0.517 328 K N 1.127 121.466 120.400 -0.101 0.000 2.209 328 K HA 0.132 4.452 4.320 -0.000 0.000 0.204 328 K C 2.666 179.210 176.600 -0.093 0.000 1.048 328 K CA 0.952 57.168 56.287 -0.119 0.000 0.940 328 K CB -0.390 31.977 32.500 -0.222 0.000 0.729 328 K HN 0.488 nan 8.250 nan 0.000 0.451 329 A N 0.907 123.668 122.820 -0.099 0.000 2.024 329 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 329 A C 1.986 179.535 177.584 -0.060 0.000 1.164 329 A CA 1.467 53.456 52.037 -0.080 0.000 0.643 329 A CB -0.281 18.675 19.000 -0.073 0.000 0.806 329 A HN 0.207 nan 8.150 nan 0.000 0.451 330 M N -1.442 118.116 119.600 -0.070 0.000 2.412 330 M HA -0.031 4.449 4.480 -0.000 0.000 0.263 330 M C 2.315 178.578 176.300 -0.063 0.000 1.122 330 M CA 1.632 56.889 55.300 -0.072 0.000 1.179 330 M CB -0.061 32.473 32.600 -0.109 0.000 1.335 330 M HN 0.564 nan 8.290 nan 0.000 0.465 331 T N -2.196 112.314 114.554 -0.074 0.000 3.051 331 T HA 0.424 4.774 4.350 -0.000 0.000 0.255 331 T C 1.059 175.765 174.700 0.010 0.000 1.085 331 T CA 0.432 62.510 62.100 -0.036 0.000 1.109 331 T CB -0.149 68.711 68.868 -0.014 0.000 0.921 331 T HN 0.558 nan 8.240 nan 0.000 0.488 332 G N 1.028 109.836 108.800 0.013 0.000 2.757 332 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.638 332 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.638 332 G C -0.914 174.027 174.900 0.069 0.000 1.344 332 G CA -0.399 44.744 45.100 0.070 0.000 0.855 332 G HN 0.765 nan 8.290 nan 0.000 0.537 333 H N 0.897 119.962 119.070 -0.010 0.000 2.690 333 H HA 0.577 5.133 4.556 -0.000 0.000 0.289 333 H C 1.682 176.926 175.328 -0.140 0.000 1.089 333 H CA -0.000 55.943 56.048 -0.175 0.000 1.299 333 H CB 0.632 30.089 29.762 -0.508 0.000 1.405 333 H HN 0.786 nan 8.280 nan 0.000 0.463 334 S N 4.755 120.556 115.700 0.169 0.000 2.701 334 S HA 0.097 4.567 4.470 -0.000 0.000 0.220 334 S C 1.404 175.995 174.600 -0.015 0.000 0.954 334 S CA 0.052 58.276 58.200 0.040 0.000 0.936 334 S CB -0.493 62.717 63.200 0.017 0.000 0.777 334 S HN 0.722 nan 8.310 nan 0.000 0.518 335 L N -0.090 121.065 121.223 -0.112 0.000 4.782 335 L HA -0.344 3.996 4.340 -0.000 0.000 0.053 335 L C 2.208 179.057 176.870 -0.035 0.000 3.426 335 L CA 1.513 56.183 54.840 -0.283 0.000 1.357 335 L CB -2.081 39.800 42.059 -0.297 0.000 3.081 335 L HN 0.442 nan 8.230 nan 0.000 0.912 336 G N -1.198 107.587 108.800 -0.025 0.000 2.509 336 G HA2 0.148 4.108 3.960 -0.000 0.000 0.218 336 G HA3 0.148 4.108 3.960 -0.000 0.000 0.218 336 G C 1.210 176.119 174.900 0.016 0.000 1.124 336 G CA 1.100 46.210 45.100 0.016 0.000 0.776 336 G HN 0.824 nan 8.290 nan 0.000 0.547 337 A N 0.224 123.049 122.820 0.009 0.000 2.267 337 A HA 0.674 4.994 4.320 -0.000 0.000 0.213 337 A C 2.495 180.056 177.584 -0.038 0.000 1.192 337 A CA 1.199 53.231 52.037 -0.008 0.000 0.851 337 A CB -0.137 18.866 19.000 0.004 0.000 0.881 337 A HN 0.465 nan 8.150 nan 0.000 0.494 338 A N 0.229 123.043 122.820 -0.009 0.000 1.908 338 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 338 A C 2.333 179.862 177.584 -0.091 0.000 1.181 338 A CA 1.983 54.001 52.037 -0.031 0.000 0.627 338 A CB -1.309 17.699 19.000 0.014 0.000 0.818 338 A HN 0.685 nan 8.150 nan 0.000 0.445 339 G N -0.787 107.966 108.800 -0.079 0.000 2.514 339 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 339 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 339 G C 1.677 176.490 174.900 -0.145 0.000 1.198 339 G CA 1.461 46.494 45.100 -0.112 0.000 0.780 339 G HN 0.663 nan 8.290 nan 0.000 0.565 340 V N 0.214 120.045 119.914 -0.139 0.000 2.358 340 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 340 V C 2.756 178.692 176.094 -0.263 0.000 1.047 340 V CA 2.610 64.809 62.300 -0.167 0.000 1.035 340 V CB -0.314 31.435 31.823 -0.124 0.000 0.658 340 V HN 0.535 nan 8.190 nan 0.000 0.452 341 Q N -0.403 119.208 119.800 -0.314 0.000 2.050 341 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 341 Q C 2.206 177.584 176.000 -1.037 0.000 0.980 341 Q CA 2.193 57.641 55.803 -0.591 0.000 0.840 341 Q CB -0.196 28.272 28.738 -0.451 0.000 0.898 341 Q HN 0.708 nan 8.270 nan 0.000 0.424 342 E N 0.296 120.133 120.200 -0.606 0.000 2.204 342 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 342 E C 1.803 178.274 176.600 -0.215 0.000 0.989 342 E CA 0.737 56.940 56.400 -0.327 0.000 0.824 342 E CB -0.008 29.652 29.700 -0.066 0.000 0.756 342 E HN 0.341 nan 8.360 nan 0.000 0.477 343 A N 0.590 123.268 122.820 -0.237 0.000 1.968 343 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 343 A C 2.049 179.526 177.584 -0.179 0.000 1.169 343 A CA 0.765 52.706 52.037 -0.159 0.000 0.638 343 A CB -0.268 18.639 19.000 -0.155 0.000 0.812 343 A HN 0.148 nan 8.150 nan 0.000 0.446 344 I N -1.587 118.809 120.570 -0.289 0.000 2.406 344 I HA -0.184 3.986 4.170 -0.000 0.000 0.249 344 I C 2.116 178.159 176.117 -0.124 0.000 1.122 344 I CA 0.859 62.003 61.300 -0.260 0.000 1.431 344 I CB -0.307 37.510 38.000 -0.305 0.000 1.087 344 I HN 0.346 nan 8.210 nan 0.000 0.424 345 Y N 0.829 121.092 120.300 -0.061 0.000 2.181 345 Y HA -0.185 4.365 4.550 -0.000 0.000 0.288 345 Y C 2.918 178.772 175.900 -0.077 0.000 1.146 345 Y CA 0.751 58.822 58.100 -0.049 0.000 1.164 345 Y CB -1.326 37.116 38.460 -0.030 0.000 0.982 345 Y HN 0.092 nan 8.280 nan 0.000 0.515 346 S N 0.103 115.863 115.700 0.100 0.000 2.368 346 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 346 S C 2.164 176.761 174.600 -0.005 0.000 1.029 346 S CA 1.096 59.340 58.200 0.073 0.000 0.988 346 S CB -0.645 62.623 63.200 0.114 0.000 0.838 346 S HN 0.351 nan 8.310 nan 0.000 0.462 347 L N 0.966 122.168 121.223 -0.034 0.000 2.083 347 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 347 L C 2.144 179.021 176.870 0.011 0.000 1.083 347 L CA 0.934 55.742 54.840 -0.053 0.000 0.752 347 L CB -0.484 41.462 42.059 -0.189 0.000 0.899 347 L HN 0.290 nan 8.230 nan 0.000 0.433 348 L N -1.250 119.996 121.223 0.038 0.000 2.156 348 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 348 L C 2.537 179.534 176.870 0.211 0.000 1.095 348 L CA 1.031 55.995 54.840 0.208 0.000 0.770 348 L CB -0.247 41.931 42.059 0.198 0.000 0.914 348 L HN 0.312 nan 8.230 nan 0.000 0.439 349 M N -0.950 118.569 119.600 -0.135 0.000 2.200 349 M HA -0.177 4.303 4.480 -0.000 0.000 0.265 349 M C 2.200 178.375 176.300 -0.209 0.000 1.066 349 M CA 1.385 56.357 55.300 -0.547 0.000 1.127 349 M CB -0.156 31.918 32.600 -0.878 0.000 1.379 349 M HN 0.204 nan 8.290 nan 0.000 0.420 350 L N 0.461 121.635 121.223 -0.082 0.000 2.109 350 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 350 L C 2.154 179.048 176.870 0.040 0.000 1.086 350 L CA 1.891 56.723 54.840 -0.012 0.000 0.760 350 L CB -0.466 41.603 42.059 0.017 0.000 0.910 350 L HN 0.185 nan 8.230 nan 0.000 0.437 351 E N -0.930 119.329 120.200 0.100 0.000 2.072 351 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 351 E C 1.326 177.850 176.600 -0.127 0.000 0.982 351 E CA 1.469 57.900 56.400 0.051 0.000 0.803 351 E CB -0.097 29.723 29.700 0.200 0.000 0.755 351 E HN 0.692 nan 8.360 nan 0.000 0.453 352 H N -1.227 117.952 119.070 0.181 0.000 2.520 352 H HA 0.402 4.958 4.556 -0.000 0.000 0.284 352 H C 0.349 175.821 175.328 0.239 0.000 1.037 352 H CA 0.367 56.546 56.048 0.218 0.000 1.168 352 H CB 0.869 30.802 29.762 0.284 0.000 1.497 352 H HN 0.234 nan 8.280 nan 0.000 0.547 353 G N 1.444 110.367 108.800 0.205 0.000 2.370 353 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.293 353 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.293 353 G C -0.222 174.809 174.900 0.218 0.000 0.992 353 G CA 0.856 46.038 45.100 0.137 0.000 1.247 353 G HN 0.541 nan 8.290 nan 0.000 0.505 354 F N -1.633 118.299 119.950 -0.031 0.000 2.713 354 F HA 0.801 5.328 4.527 -0.000 0.000 0.311 354 F C -0.933 174.772 175.800 -0.159 0.000 1.141 354 F CA -2.264 55.696 58.000 -0.066 0.000 0.939 354 F CB 1.143 40.117 39.000 -0.043 0.000 1.325 354 F HN 0.061 nan 8.300 nan 0.000 0.453 355 I N 2.804 123.250 120.570 -0.206 0.000 2.382 355 I HA 0.599 4.769 4.170 -0.000 0.000 0.286 355 I C 0.160 176.185 176.117 -0.154 0.000 1.002 355 I CA -1.069 59.977 61.300 -0.422 0.000 1.135 355 I CB 1.572 39.454 38.000 -0.196 0.000 1.288 355 I HN 0.964 nan 8.210 nan 0.000 0.448 356 A N 9.352 131.988 122.820 -0.306 0.000 2.498 356 A HA 0.429 4.749 4.320 -0.000 0.000 0.239 356 A C -2.326 175.276 177.584 0.029 0.000 1.068 356 A CA -0.850 51.200 52.037 0.021 0.000 0.766 356 A CB -0.371 18.603 19.000 -0.043 0.000 1.003 356 A HN 0.438 nan 8.150 nan 0.000 0.497 357 P HA 0.167 nan 4.420 nan 0.000 0.282 357 P C -0.439 176.890 177.300 0.049 0.000 1.249 357 P CA -0.320 62.811 63.100 0.052 0.000 0.806 357 P CB 1.373 33.096 31.700 0.039 0.000 0.984 358 S N 2.761 118.504 115.700 0.071 0.000 2.473 358 S HA 0.361 4.831 4.470 -0.000 0.000 0.312 358 S C 0.642 175.276 174.600 0.056 0.000 1.087 358 S CA -0.808 57.442 58.200 0.083 0.000 1.077 358 S CB -1.385 61.911 63.200 0.160 0.000 1.065 358 S HN 0.351 nan 8.310 nan 0.000 0.510 359 I N 1.925 122.507 120.570 0.020 0.000 3.110 359 I HA 0.481 4.651 4.170 -0.000 0.000 0.314 359 I C 0.400 176.515 176.117 -0.003 0.000 1.020 359 I CA -0.571 60.733 61.300 0.007 0.000 1.169 359 I CB 0.343 38.337 38.000 -0.011 0.000 1.437 359 I HN 0.521 nan 8.210 nan 0.000 0.595 360 N N 0.888 119.582 118.700 -0.010 0.000 2.741 360 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 360 N C -0.632 174.875 175.510 -0.005 0.000 1.112 360 N CA 0.985 54.019 53.050 -0.026 0.000 0.750 360 N CB -1.514 36.932 38.487 -0.069 0.000 1.119 360 N HN 0.598 nan 8.380 nan 0.000 0.561 361 I N 1.058 121.644 120.570 0.027 0.000 2.287 361 I HA 0.089 4.259 4.170 -0.000 0.000 0.290 361 I C 1.125 177.274 176.117 0.054 0.000 1.069 361 I CA -0.123 61.211 61.300 0.056 0.000 1.237 361 I CB 0.836 38.887 38.000 0.084 0.000 1.418 361 I HN -0.067 nan 8.210 nan 0.000 0.481 362 E N 3.460 123.700 120.200 0.066 0.000 2.415 362 E HA 0.069 4.419 4.350 -0.000 0.000 0.197 362 E C 0.215 176.865 176.600 0.084 0.000 1.007 362 E CA 0.356 56.795 56.400 0.065 0.000 0.890 362 E CB 0.582 30.319 29.700 0.061 0.000 0.891 362 E HN 0.517 nan 8.360 nan 0.000 0.496 363 E N 1.025 121.288 120.200 0.105 0.000 2.649 363 E HA 0.121 4.470 4.350 -0.000 0.000 0.310 363 E C -1.333 175.315 176.600 0.080 0.000 1.036 363 E CA -0.567 55.892 56.400 0.099 0.000 0.772 363 E CB 0.654 30.442 29.700 0.147 0.000 1.513 363 E HN -0.036 nan 8.360 nan 0.000 0.384 364 L N 3.366 124.627 121.223 0.064 0.000 2.525 364 L HA 0.093 4.433 4.340 -0.000 0.000 0.278 364 L C -0.027 176.872 176.870 0.047 0.000 1.218 364 L CA 0.784 55.660 54.840 0.060 0.000 0.878 364 L CB 0.627 42.707 42.059 0.034 0.000 1.127 364 L HN 0.539 nan 8.230 nan 0.000 0.492 365 D N 2.021 122.459 120.400 0.064 0.000 2.443 365 D HA -0.008 4.632 4.640 -0.000 0.000 0.239 365 D C 1.170 177.484 176.300 0.023 0.000 1.136 365 D CA 0.691 54.719 54.000 0.047 0.000 0.879 365 D CB 0.826 41.677 40.800 0.086 0.000 1.195 365 D HN 0.728 nan 8.370 nan 0.000 0.443 366 E N 2.094 122.303 120.200 0.016 0.000 2.110 366 E HA -0.306 4.044 4.350 -0.000 0.000 0.193 366 E C 1.017 177.620 176.600 0.004 0.000 0.988 366 E CA 0.959 57.364 56.400 0.009 0.000 0.804 366 E CB -0.231 29.475 29.700 0.009 0.000 0.745 366 E HN 0.635 nan 8.360 nan 0.000 0.458 367 Q N 0.167 119.974 119.800 0.012 0.000 2.541 367 Q HA 0.049 4.389 4.340 -0.000 0.000 0.215 367 Q C 1.545 177.538 176.000 -0.012 0.000 0.977 367 Q CA 0.680 56.489 55.803 0.011 0.000 0.934 367 Q CB 0.168 28.924 28.738 0.030 0.000 0.988 367 Q HN 0.453 nan 8.270 nan 0.000 0.521 368 A N 0.494 123.293 122.820 -0.035 0.000 2.220 368 A HA 0.397 4.717 4.320 -0.000 0.000 0.211 368 A C 1.006 178.544 177.584 -0.078 0.000 1.176 368 A CA 0.049 52.026 52.037 -0.100 0.000 0.834 368 A CB 0.271 19.176 19.000 -0.158 0.000 0.868 368 A HN 0.283 nan 8.150 nan 0.000 0.488 369 A N -0.883 121.913 122.820 -0.040 0.000 2.498 369 A HA 0.456 4.776 4.320 -0.000 0.000 0.239 369 A C 1.547 179.115 177.584 -0.027 0.000 1.068 369 A CA 0.681 52.700 52.037 -0.029 0.000 0.766 369 A CB -0.424 18.568 19.000 -0.014 0.000 1.003 369 A HN 1.886 nan 8.150 nan 0.000 0.497 370 G N 0.544 109.329 108.800 -0.025 0.000 2.213 370 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.226 370 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.226 370 G C 0.019 174.904 174.900 -0.026 0.000 0.992 370 G CA 0.264 45.354 45.100 -0.017 0.000 0.632 370 G HN 0.809 nan 8.290 nan 0.000 0.511 371 L N -0.048 121.144 121.223 -0.050 0.000 2.303 371 L HA 0.606 4.946 4.340 -0.000 0.000 0.266 371 L C -0.051 176.769 176.870 -0.084 0.000 1.011 371 L CA -1.224 53.572 54.840 -0.074 0.000 0.818 371 L CB 1.689 43.684 42.059 -0.107 0.000 1.326 371 L HN 0.066 nan 8.230 nan 0.000 0.435 372 N N 1.932 120.575 118.700 -0.095 0.000 2.801 372 N HA 0.337 5.077 4.740 -0.000 0.000 0.235 372 N C -1.002 174.459 175.510 -0.081 0.000 1.069 372 N CA -0.135 52.870 53.050 -0.076 0.000 0.946 372 N CB 0.039 38.487 38.487 -0.066 0.000 1.212 372 N HN 0.414 nan 8.380 nan 0.000 0.509 373 I N 3.017 123.537 120.570 -0.084 0.000 2.291 373 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 373 I C -0.089 176.023 176.117 -0.008 0.000 1.050 373 I CA -0.913 60.344 61.300 -0.073 0.000 1.245 373 I CB 1.106 39.022 38.000 -0.141 0.000 1.405 373 I HN 0.034 nan 8.210 nan 0.000 0.478 374 V N 5.789 125.721 119.914 0.029 0.000 2.455 374 V HA 0.069 4.189 4.120 -0.000 0.000 0.273 374 V C 1.236 177.364 176.094 0.056 0.000 1.045 374 V CA 0.036 62.364 62.300 0.045 0.000 0.976 374 V CB 1.034 32.894 31.823 0.063 0.000 0.993 374 V HN 0.888 nan 8.190 nan 0.000 0.475 375 T N 0.610 115.190 114.554 0.043 0.000 3.129 375 T HA 0.297 4.647 4.350 -0.000 0.000 0.267 375 T C 0.141 174.862 174.700 0.035 0.000 1.018 375 T CA -0.208 61.919 62.100 0.044 0.000 0.903 375 T CB -0.209 68.683 68.868 0.040 0.000 1.067 375 T HN 0.824 nan 8.240 nan 0.000 0.549 376 E N 0.199 120.420 120.200 0.035 0.000 2.321 376 E HA 0.426 4.776 4.350 -0.000 0.000 0.278 376 E C -1.369 175.256 176.600 0.041 0.000 0.902 376 E CA -1.033 55.385 56.400 0.029 0.000 0.758 376 E CB 0.986 30.699 29.700 0.021 0.000 1.213 376 E HN -0.065 nan 8.360 nan 0.000 0.426 377 T N 2.583 117.163 114.554 0.044 0.000 2.866 377 T HA 0.105 4.455 4.350 -0.000 0.000 0.293 377 T C -0.382 174.361 174.700 0.072 0.000 1.005 377 T CA 0.435 62.582 62.100 0.078 0.000 1.162 377 T CB 0.197 69.086 68.868 0.035 0.000 0.968 377 T HN 0.479 nan 8.240 nan 0.000 0.530 378 T N 4.002 118.619 114.554 0.106 0.000 2.890 378 T HA 0.218 4.568 4.350 -0.000 0.000 0.295 378 T C -0.543 174.221 174.700 0.106 0.000 0.993 378 T CA -0.929 61.217 62.100 0.076 0.000 0.979 378 T CB 1.085 69.980 68.868 0.045 0.000 0.967 378 T HN 0.477 nan 8.240 nan 0.000 0.441 379 D N 3.030 123.484 120.400 0.090 0.000 2.390 379 D HA 0.334 4.974 4.640 -0.000 0.000 0.249 379 D C 0.370 176.709 176.300 0.066 0.000 1.144 379 D CA 0.232 54.294 54.000 0.103 0.000 0.880 379 D CB 1.177 42.017 40.800 0.067 0.000 1.182 379 D HN 0.402 nan 8.370 nan 0.000 0.451 380 R N 1.281 121.818 120.500 0.063 0.000 2.634 380 R HA 0.082 4.422 4.340 -0.000 0.000 0.263 380 R C -1.307 175.008 176.300 0.026 0.000 1.060 380 R CA -0.624 55.495 56.100 0.032 0.000 0.898 380 R CB 1.549 31.858 30.300 0.015 0.000 1.253 380 R HN 0.323 nan 8.270 nan 0.000 0.461 381 E N 4.708 124.921 120.200 0.021 0.000 2.003 381 E HA 0.171 4.521 4.350 -0.000 0.000 0.279 381 E C -0.675 175.931 176.600 0.010 0.000 1.132 381 E CA -0.197 56.213 56.400 0.017 0.000 0.888 381 E CB 0.461 30.170 29.700 0.016 0.000 1.056 381 E HN 0.326 nan 8.360 nan 0.000 0.399 382 L N 3.374 124.599 121.223 0.004 0.000 2.379 382 L HA 0.323 4.663 4.340 -0.000 0.000 0.269 382 L C 0.933 177.810 176.870 0.012 0.000 1.084 382 L CA -0.432 54.411 54.840 0.005 0.000 0.802 382 L CB 1.641 43.690 42.059 -0.016 0.000 1.175 382 L HN 0.549 nan 8.230 nan 0.000 0.448 383 T N -1.413 113.152 114.554 0.019 0.000 3.115 383 T HA 0.086 4.436 4.350 -0.000 0.000 0.256 383 T C 0.254 174.969 174.700 0.025 0.000 0.970 383 T CA 0.267 62.378 62.100 0.019 0.000 1.010 383 T CB 0.725 69.603 68.868 0.016 0.000 1.151 383 T HN 0.599 nan 8.240 nan 0.000 0.479 384 T N 3.012 117.586 114.554 0.034 0.000 2.841 384 T HA 0.700 5.050 4.350 -0.000 0.000 0.285 384 T C -0.706 174.027 174.700 0.056 0.000 0.991 384 T CA -0.692 61.433 62.100 0.042 0.000 0.966 384 T CB 2.006 70.900 68.868 0.043 0.000 0.962 384 T HN 0.250 nan 8.240 nan 0.000 0.438 385 V N 0.998 120.950 119.914 0.062 0.000 3.001 385 V HA 0.879 4.999 4.120 -0.000 0.000 0.314 385 V C -0.740 175.382 176.094 0.045 0.000 1.099 385 V CA -1.239 61.111 62.300 0.083 0.000 0.989 385 V CB 2.236 34.151 31.823 0.152 0.000 1.040 385 V HN 0.972 nan 8.190 nan 0.000 0.434 386 M N 2.565 122.163 119.600 -0.003 0.000 2.518 386 M HA 0.758 5.238 4.480 -0.000 0.000 0.300 386 M C -1.123 175.135 176.300 -0.070 0.000 1.175 386 M CA -0.312 54.980 55.300 -0.014 0.000 0.890 386 M CB 2.287 34.900 32.600 0.022 0.000 1.710 386 M HN 1.001 nan 8.290 nan 0.000 0.453 387 S N 2.991 118.661 115.700 -0.051 0.000 2.672 387 S HA 0.566 5.036 4.470 -0.000 0.000 0.291 387 S C -1.516 173.010 174.600 -0.123 0.000 1.145 387 S CA -0.796 57.353 58.200 -0.086 0.000 1.013 387 S CB 0.973 64.134 63.200 -0.064 0.000 1.017 387 S HN 0.839 nan 8.310 nan 0.000 0.487 388 N N 2.108 120.691 118.700 -0.196 0.000 2.487 388 N HA 0.571 5.311 4.740 -0.000 0.000 0.292 388 N C -1.225 173.933 175.510 -0.586 0.000 1.108 388 N CA -0.394 52.410 53.050 -0.411 0.000 0.956 388 N CB 1.836 40.020 38.487 -0.504 0.000 1.176 388 N HN 0.497 nan 8.380 nan 0.000 0.484 389 S N 1.303 116.514 115.700 -0.816 0.000 2.720 389 S HA 0.560 5.030 4.470 -0.000 0.000 0.278 389 S C -1.375 172.788 174.600 -0.728 0.000 1.172 389 S CA -0.619 57.194 58.200 -0.643 0.000 1.019 389 S CB 0.413 63.428 63.200 -0.307 0.000 1.049 389 S HN 0.290 nan 8.310 nan 0.000 0.483 390 F N 1.103 120.663 119.950 -0.651 0.000 2.551 390 F HA 0.864 5.391 4.527 -0.000 0.000 0.316 390 F C 0.728 176.343 175.800 -0.307 0.000 1.089 390 F CA -0.923 56.790 58.000 -0.477 0.000 0.915 390 F CB 1.887 40.584 39.000 -0.504 0.000 1.186 390 F HN 0.665 nan 8.300 nan 0.000 0.456 391 G N 0.950 109.841 108.800 0.151 0.000 2.730 391 G HA2 0.567 4.527 3.960 -0.000 0.000 0.289 391 G HA3 0.567 4.527 3.960 -0.000 0.000 0.289 391 G C -1.221 173.883 174.900 0.341 0.000 1.341 391 G CA -0.901 44.308 45.100 0.181 0.000 0.932 391 G HN 0.469 nan 8.290 nan 0.000 0.481 392 F N 0.167 120.215 119.950 0.163 0.000 2.595 392 F HA 0.294 4.821 4.527 -0.000 0.000 0.359 392 F C 1.652 177.513 175.800 0.101 0.000 1.147 392 F CA 1.306 59.388 58.000 0.136 0.000 1.341 392 F CB 0.959 40.045 39.000 0.144 0.000 1.104 392 F HN 0.876 nan 8.300 nan 0.000 0.603 393 G N 1.252 110.198 108.800 0.244 0.000 2.159 393 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.227 393 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.227 393 G C 0.639 175.605 174.900 0.110 0.000 0.986 393 G CA -0.030 45.156 45.100 0.143 0.000 0.651 393 G HN 1.716 nan 8.290 nan 0.000 0.523 394 G N -0.981 107.893 108.800 0.123 0.000 2.246 394 G HA2 0.091 4.051 3.960 -0.000 0.000 0.273 394 G HA3 0.091 4.051 3.960 -0.000 0.000 0.273 394 G C 0.339 175.293 174.900 0.089 0.000 1.055 394 G CA 1.368 46.514 45.100 0.077 0.000 0.851 394 G HN 1.971 nan 8.290 nan 0.000 0.500 395 T N 0.421 115.062 114.554 0.146 0.000 2.767 395 T HA 0.576 4.926 4.350 -0.000 0.000 0.284 395 T C 0.014 174.858 174.700 0.240 0.000 0.973 395 T CA -0.583 61.632 62.100 0.191 0.000 0.996 395 T CB 0.328 69.333 68.868 0.228 0.000 0.927 395 T HN 0.337 nan 8.240 nan 0.000 0.456 396 N N 2.998 121.849 118.700 0.253 0.000 2.269 396 N HA 0.703 5.443 4.740 -0.000 0.000 0.304 396 N C -1.339 174.301 175.510 0.218 0.000 1.072 396 N CA -0.671 52.565 53.050 0.311 0.000 0.802 396 N CB 2.161 40.785 38.487 0.228 0.000 1.348 396 N HN 0.739 nan 8.380 nan 0.000 0.484 397 A N 0.821 123.679 122.820 0.063 0.000 2.427 397 A HA 0.710 5.030 4.320 -0.000 0.000 0.298 397 A C -0.901 176.656 177.584 -0.043 0.000 1.036 397 A CA -0.502 51.481 52.037 -0.089 0.000 0.701 397 A CB 1.325 19.985 19.000 -0.567 0.000 1.250 397 A HN 0.445 nan 8.150 nan 0.000 0.412 398 T N 2.638 117.223 114.554 0.052 0.000 2.881 398 T HA 0.607 4.957 4.350 -0.000 0.000 0.290 398 T C -0.763 174.004 174.700 0.112 0.000 1.000 398 T CA -0.232 61.895 62.100 0.045 0.000 0.978 398 T CB 0.860 69.775 68.868 0.079 0.000 0.997 398 T HN 0.503 nan 8.240 nan 0.000 0.443 399 L N 2.698 123.956 121.223 0.060 0.000 2.346 399 L HA 0.816 5.156 4.340 -0.000 0.000 0.274 399 L C -0.807 176.092 176.870 0.049 0.000 1.007 399 L CA -1.174 53.709 54.840 0.072 0.000 0.818 399 L CB 2.059 44.121 42.059 0.006 0.000 1.284 399 L HN 0.325 nan 8.230 nan 0.000 0.424 400 V N 3.542 123.492 119.914 0.061 0.000 2.443 400 V HA 0.473 4.593 4.120 -0.000 0.000 0.293 400 V C -0.261 175.857 176.094 0.039 0.000 1.021 400 V CA -0.352 61.980 62.300 0.053 0.000 0.848 400 V CB 1.770 33.635 31.823 0.070 0.000 0.998 400 V HN 0.703 nan 8.190 nan 0.000 0.424 401 M N 5.228 124.846 119.600 0.030 0.000 2.294 401 M HA 0.663 5.143 4.480 -0.000 0.000 0.335 401 M C -0.416 175.900 176.300 0.027 0.000 1.079 401 M CA -0.253 55.059 55.300 0.020 0.000 0.982 401 M CB 2.141 34.746 32.600 0.008 0.000 1.651 401 M HN 0.577 nan 8.290 nan 0.000 0.437 402 R N 1.640 122.152 120.500 0.021 0.000 2.744 402 R HA 0.506 4.846 4.340 -0.000 0.000 0.279 402 R C -1.028 175.279 176.300 0.011 0.000 0.977 402 R CA -0.807 55.304 56.100 0.020 0.000 0.906 402 R CB 1.916 32.228 30.300 0.021 0.000 1.197 402 R HN 0.646 nan 8.270 nan 0.000 0.463 403 K N 1.803 122.208 120.400 0.009 0.000 2.336 403 K HA 0.051 4.371 4.320 -0.000 0.000 0.262 403 K C -0.261 176.333 176.600 -0.010 0.000 0.992 403 K CA -0.236 56.049 56.287 -0.003 0.000 0.927 403 K CB 0.410 32.909 32.500 -0.002 0.000 0.956 403 K HN 0.259 nan 8.250 nan 0.000 0.495 404 L N 1.342 122.552 121.223 -0.023 0.000 2.379 404 L HA 0.535 4.875 4.340 -0.000 0.000 0.269 404 L C -0.253 176.605 176.870 -0.020 0.000 1.084 404 L CA 0.813 55.639 54.840 -0.023 0.000 0.802 404 L CB 0.908 42.945 42.059 -0.037 0.000 1.175 404 L HN 0.788 nan 8.230 nan 0.000 0.448 405 K N 0.000 120.391 120.400 -0.015 0.000 2.780 405 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 405 K CA 0.000 nan 56.287 nan 0.000 0.838 405 K CB 0.000 nan 32.500 nan 0.000 1.064 405 K HN 0.000 nan 8.250 nan 0.000 0.543