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 1dd8_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG 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 MRKLKD 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 0.000 176.306 176.300 0.011 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 1.728 122.132 120.400 0.007 0.000 2.319 2 K HA 0.384 4.704 4.320 -0.000 0.000 0.265 2 K C -0.103 176.498 176.600 0.002 0.000 1.000 2 K CA 0.319 56.607 56.287 0.003 0.000 0.943 2 K CB 0.493 32.990 32.500 -0.004 0.000 0.950 2 K HN 0.247 nan 8.250 nan 0.000 0.485 3 R N 0.703 121.203 120.500 -0.001 0.000 2.428 3 R HA 0.453 4.793 4.340 -0.000 0.000 0.294 3 R C -0.876 175.416 176.300 -0.013 0.000 1.000 3 R CA -0.811 55.287 56.100 -0.003 0.000 0.960 3 R CB 1.237 31.535 30.300 -0.003 0.000 1.076 3 R HN 0.210 nan 8.270 nan 0.000 0.475 4 V N 3.967 123.870 119.914 -0.017 0.000 2.495 4 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 4 V C -0.086 175.987 176.094 -0.035 0.000 1.031 4 V CA -0.742 61.538 62.300 -0.034 0.000 0.871 4 V CB 1.654 33.452 31.823 -0.042 0.000 0.988 4 V HN 0.600 nan 8.190 nan 0.000 0.432 5 V N 2.646 122.535 119.914 -0.042 0.000 3.046 5 V HA 0.690 4.809 4.120 -0.000 0.000 0.316 5 V C -0.565 175.505 176.094 -0.041 0.000 1.104 5 V CA -0.959 61.319 62.300 -0.036 0.000 1.006 5 V CB 2.334 34.136 31.823 -0.035 0.000 1.058 5 V HN 0.651 nan 8.190 nan 0.000 0.440 6 I N 2.545 123.106 120.570 -0.014 0.000 2.330 6 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 6 I C 1.036 177.214 176.117 0.101 0.000 1.001 6 I CA -0.028 61.275 61.300 0.005 0.000 1.193 6 I CB 2.058 40.049 38.000 -0.015 0.000 1.345 6 I HN 0.991 nan 8.210 nan 0.000 0.461 7 T N 0.752 115.353 114.554 0.078 0.000 3.044 7 T HA 0.417 4.767 4.350 -0.000 0.000 0.260 7 T C 0.444 175.291 174.700 0.245 0.000 1.019 7 T CA -0.352 61.825 62.100 0.128 0.000 0.921 7 T CB 0.489 69.375 68.868 0.031 0.000 1.053 7 T HN 0.709 nan 8.240 nan 0.000 0.533 8 G N 1.350 110.283 108.800 0.223 0.000 2.667 8 G HA2 0.559 4.519 3.960 -0.000 0.000 0.294 8 G HA3 0.559 4.519 3.960 -0.000 0.000 0.294 8 G C -2.087 172.827 174.900 0.022 0.000 1.467 8 G CA -0.963 44.261 45.100 0.206 0.000 0.852 8 G HN 0.647 nan 8.290 nan 0.000 0.521 9 L N -1.173 120.038 121.223 -0.020 0.000 2.465 9 L HA 1.048 5.388 4.340 -0.000 0.000 0.257 9 L C -0.085 176.749 176.870 -0.060 0.000 0.988 9 L CA -0.922 53.851 54.840 -0.112 0.000 0.827 9 L CB 1.922 43.818 42.059 -0.271 0.000 1.397 9 L HN 1.194 nan 8.230 nan 0.000 0.410 10 G N 1.148 109.906 108.800 -0.069 0.000 2.682 10 G HA2 0.778 4.738 3.960 -0.000 0.000 0.300 10 G HA3 0.778 4.738 3.960 -0.000 0.000 0.300 10 G C -2.001 172.869 174.900 -0.051 0.000 1.391 10 G CA -0.655 44.417 45.100 -0.047 0.000 0.990 10 G HN 0.989 nan 8.290 nan 0.000 0.501 11 I N 0.876 121.429 120.570 -0.029 0.000 2.775 11 I HA 0.616 4.786 4.170 -0.000 0.000 0.295 11 I C -1.537 174.569 176.117 -0.019 0.000 1.287 11 I CA -0.946 60.335 61.300 -0.032 0.000 1.029 11 I CB 2.378 40.359 38.000 -0.032 0.000 1.282 11 I HN 0.343 nan 8.210 nan 0.000 0.426 12 V N 6.521 126.408 119.914 -0.045 0.000 2.445 12 V HA 0.554 4.674 4.120 -0.000 0.000 0.283 12 V C -0.326 175.678 176.094 -0.150 0.000 1.014 12 V CA -0.125 62.126 62.300 -0.083 0.000 0.852 12 V CB 1.419 33.193 31.823 -0.081 0.000 1.021 12 V HN 0.854 nan 8.190 nan 0.000 0.435 13 S N 2.445 118.084 115.700 -0.102 0.000 2.806 13 S HA 0.458 4.928 4.470 -0.000 0.000 0.306 13 S C 1.184 175.726 174.600 -0.096 0.000 1.167 13 S CA 0.100 58.242 58.200 -0.097 0.000 0.847 13 S CB 1.671 64.890 63.200 0.032 0.000 1.216 13 S HN 0.838 nan 8.310 nan 0.000 0.532 14 S N 0.310 115.963 115.700 -0.078 0.000 2.442 14 S HA -0.064 4.406 4.470 -0.000 0.000 0.236 14 S C 1.456 176.032 174.600 -0.040 0.000 1.007 14 S CA 1.021 59.179 58.200 -0.071 0.000 0.965 14 S CB -1.130 62.039 63.200 -0.051 0.000 0.773 14 S HN 0.988 nan 8.310 nan 0.000 0.504 15 I N -2.563 117.990 120.570 -0.028 0.000 3.974 15 I HA 0.665 4.835 4.170 -0.000 0.000 0.334 15 I C 0.578 176.679 176.117 -0.027 0.000 1.437 15 I CA -0.390 60.887 61.300 -0.037 0.000 1.113 15 I CB 0.257 38.210 38.000 -0.079 0.000 1.063 15 I HN 0.298 nan 8.210 nan 0.000 0.400 16 G N 1.029 109.819 108.800 -0.017 0.000 2.376 16 G HA2 0.071 4.031 3.960 -0.000 0.000 0.302 16 G HA3 0.071 4.031 3.960 -0.000 0.000 0.302 16 G C -0.893 174.000 174.900 -0.012 0.000 1.586 16 G CA -0.609 44.485 45.100 -0.010 0.000 0.907 16 G HN -0.006 nan 8.290 nan 0.000 0.655 17 N N 0.308 119.002 118.700 -0.009 0.000 2.236 17 N HA 0.102 4.842 4.740 -0.000 0.000 0.196 17 N C 0.455 175.970 175.510 0.007 0.000 1.114 17 N CA 0.471 53.516 53.050 -0.007 0.000 0.859 17 N CB 0.270 38.756 38.487 -0.001 0.000 0.982 17 N HN 0.834 nan 8.380 nan 0.000 0.493 18 N N -1.149 117.558 118.700 0.012 0.000 3.020 18 N HA 0.002 4.741 4.740 -0.000 0.000 0.248 18 N C 0.330 175.856 175.510 0.027 0.000 1.480 18 N CA -0.482 52.579 53.050 0.019 0.000 0.874 18 N CB 1.040 39.538 38.487 0.020 0.000 1.433 18 N HN -0.188 nan 8.380 nan 0.000 0.530 19 Q N -0.175 119.646 119.800 0.035 0.000 2.226 19 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 19 Q C 0.961 176.983 176.000 0.038 0.000 0.975 19 Q CA 1.726 57.560 55.803 0.051 0.000 0.866 19 Q CB -0.211 28.567 28.738 0.068 0.000 0.915 19 Q HN 0.562 nan 8.270 nan 0.000 0.440 20 Q N 1.240 121.053 119.800 0.020 0.000 2.079 20 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 20 Q C 1.734 177.719 176.000 -0.026 0.000 0.974 20 Q CA 1.923 57.720 55.803 -0.009 0.000 0.840 20 Q CB 0.071 28.806 28.738 -0.006 0.000 0.898 20 Q HN 0.582 nan 8.270 nan 0.000 0.430 21 E N -0.376 119.817 120.200 -0.013 0.000 2.106 21 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 21 E C 1.950 178.536 176.600 -0.024 0.000 0.984 21 E CA 1.064 57.452 56.400 -0.021 0.000 0.806 21 E CB 0.036 29.728 29.700 -0.013 0.000 0.750 21 E HN 0.101 nan 8.360 nan 0.000 0.458 22 V N 1.534 121.448 119.914 0.000 0.000 2.343 22 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 22 V C 2.299 178.386 176.094 -0.012 0.000 1.051 22 V CA 1.386 63.691 62.300 0.009 0.000 1.036 22 V CB -0.363 31.518 31.823 0.096 0.000 0.654 22 V HN 0.229 nan 8.190 nan 0.000 0.451 23 L N 1.000 122.219 121.223 -0.007 0.000 2.012 23 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 23 L C 2.450 179.246 176.870 -0.124 0.000 1.073 23 L CA 2.548 57.364 54.840 -0.041 0.000 0.748 23 L CB -0.952 41.028 42.059 -0.133 0.000 0.891 23 L HN 0.224 nan 8.230 nan 0.000 0.431 24 A N -1.365 121.381 122.820 -0.123 0.000 1.877 24 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 24 A C 2.370 179.884 177.584 -0.117 0.000 1.186 24 A CA 2.104 54.060 52.037 -0.136 0.000 0.620 24 A CB -1.048 17.893 19.000 -0.099 0.000 0.822 24 A HN 0.564 nan 8.150 nan 0.000 0.443 25 S N -0.054 115.593 115.700 -0.088 0.000 2.368 25 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 25 S C 1.825 176.373 174.600 -0.086 0.000 1.030 25 S CA 1.451 59.601 58.200 -0.082 0.000 0.999 25 S CB -0.470 62.681 63.200 -0.082 0.000 0.844 25 S HN 0.500 nan 8.310 nan 0.000 0.459 26 L N 0.823 122.001 121.223 -0.075 0.000 2.046 26 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 26 L C 2.768 179.656 176.870 0.031 0.000 1.077 26 L CA 1.241 56.080 54.840 -0.002 0.000 0.747 26 L CB -0.404 41.735 42.059 0.133 0.000 0.896 26 L HN 0.215 nan 8.230 nan 0.000 0.432 27 R N 0.028 120.436 120.500 -0.154 0.000 2.096 27 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 27 R C 1.884 178.093 176.300 -0.151 0.000 1.127 27 R CA 1.321 57.233 56.100 -0.314 0.000 0.968 27 R CB -0.076 29.919 30.300 -0.509 0.000 0.861 27 R HN 0.454 nan 8.270 nan 0.000 0.440 28 E N -1.043 119.090 120.200 -0.112 0.000 2.474 28 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 28 E C 0.591 177.164 176.600 -0.046 0.000 1.041 28 E CA 0.319 56.674 56.400 -0.075 0.000 0.874 28 E CB 0.683 30.341 29.700 -0.071 0.000 0.914 28 E HN 0.461 nan 8.360 nan 0.000 0.498 29 G N 2.594 111.371 108.800 -0.038 0.000 2.221 29 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.265 29 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.265 29 G C 0.008 174.889 174.900 -0.032 0.000 1.041 29 G CA 0.208 45.291 45.100 -0.027 0.000 0.807 29 G HN 0.173 nan 8.290 nan 0.000 0.502 30 R N 0.439 120.913 120.500 -0.043 0.000 2.347 30 R HA 0.438 4.778 4.340 -0.000 0.000 0.304 30 R C 0.798 177.077 176.300 -0.034 0.000 1.072 30 R CA 0.301 56.380 56.100 -0.035 0.000 0.980 30 R CB 0.509 30.785 30.300 -0.040 0.000 0.986 30 R HN 0.263 nan 8.270 nan 0.000 0.448 31 S N 1.824 117.513 115.700 -0.017 0.000 2.565 31 S HA 0.219 4.689 4.470 -0.000 0.000 0.276 31 S C 0.971 175.573 174.600 0.003 0.000 1.326 31 S CA -0.220 57.976 58.200 -0.007 0.000 1.045 31 S CB 1.245 64.450 63.200 0.009 0.000 0.918 31 S HN 0.776 nan 8.310 nan 0.000 0.505 32 G N 3.853 112.657 108.800 0.006 0.000 3.277 32 G HA2 0.226 4.186 3.960 -0.000 0.000 0.243 32 G HA3 0.226 4.186 3.960 -0.000 0.000 0.243 32 G C 0.144 175.077 174.900 0.054 0.000 1.107 32 G CA -0.251 44.858 45.100 0.015 0.000 0.771 32 G HN 0.609 nan 8.290 nan 0.000 0.544 33 I N 2.673 123.289 120.570 0.076 0.000 2.474 33 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 33 I C 0.703 176.919 176.117 0.165 0.000 1.048 33 I CA -0.261 61.117 61.300 0.131 0.000 1.383 33 I CB 0.451 38.520 38.000 0.116 0.000 1.412 33 I HN 0.080 nan 8.210 nan 0.000 0.531 34 T N 2.661 117.366 114.554 0.252 0.000 2.838 34 T HA 0.552 4.902 4.350 -0.000 0.000 0.292 34 T C -0.586 174.265 174.700 0.251 0.000 1.113 34 T CA -0.744 61.513 62.100 0.262 0.000 1.008 34 T CB 1.796 70.837 68.868 0.288 0.000 1.259 34 T HN 0.223 nan 8.240 nan 0.000 0.520 35 F N 1.605 121.602 119.950 0.079 0.000 2.412 35 F HA 0.589 5.116 4.527 -0.000 0.000 0.348 35 F C 0.393 176.102 175.800 -0.152 0.000 1.102 35 F CA -0.239 57.752 58.000 -0.015 0.000 1.196 35 F CB 1.053 40.055 39.000 0.002 0.000 1.144 35 F HN 0.679 nan 8.300 nan 0.000 0.541 36 S N 4.883 119.822 115.700 -1.269 0.000 2.498 36 S HA 0.188 4.658 4.470 -0.000 0.000 0.324 36 S C 0.543 174.388 174.600 -1.258 0.000 1.071 36 S CA -0.665 56.726 58.200 -1.348 0.000 1.113 36 S CB 1.342 63.250 63.200 -2.154 0.000 0.976 36 S HN 0.889 nan 8.310 nan 0.000 0.462 37 Q N 3.546 122.952 119.800 -0.656 0.000 2.167 37 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 37 Q C 1.766 177.561 176.000 -0.341 0.000 0.970 37 Q CA 2.114 57.728 55.803 -0.314 0.000 0.855 37 Q CB -0.173 28.565 28.738 0.001 0.000 0.911 37 Q HN 0.914 nan 8.270 nan 0.000 0.438 38 E N -0.474 119.512 120.200 -0.358 0.000 2.058 38 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 38 E C 1.785 178.230 176.600 -0.258 0.000 0.997 38 E CA 1.310 57.580 56.400 -0.216 0.000 0.801 38 E CB -0.168 29.508 29.700 -0.040 0.000 0.746 38 E HN 0.455 nan 8.360 nan 0.000 0.450 39 L N 0.613 121.578 121.223 -0.429 0.000 2.056 39 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 39 L C 2.864 179.585 176.870 -0.249 0.000 1.078 39 L CA 1.425 56.113 54.840 -0.253 0.000 0.749 39 L CB -0.553 41.327 42.059 -0.299 0.000 0.901 39 L HN 0.164 nan 8.230 nan 0.000 0.433 40 K N 0.416 120.536 120.400 -0.466 0.000 2.002 40 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 40 K C 1.684 178.079 176.600 -0.341 0.000 1.048 40 K CA 1.906 57.821 56.287 -0.621 0.000 0.930 40 K CB -0.020 32.021 32.500 -0.764 0.000 0.714 40 K HN 0.177 nan 8.250 nan 0.000 0.438 41 D N 0.313 120.544 120.400 -0.282 0.000 2.182 41 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 41 D C 1.906 178.042 176.300 -0.272 0.000 0.986 41 D CA 1.552 55.415 54.000 -0.228 0.000 0.847 41 D CB -0.169 40.514 40.800 -0.194 0.000 0.942 41 D HN 0.379 nan 8.370 nan 0.000 0.467 42 S N -0.974 114.530 115.700 -0.326 0.000 2.515 42 S HA 0.116 4.586 4.470 -0.000 0.000 0.231 42 S C 1.753 176.192 174.600 -0.268 0.000 0.987 42 S CA 0.993 58.922 58.200 -0.452 0.000 0.936 42 S CB 0.187 63.083 63.200 -0.507 0.000 0.766 42 S HN 0.331 nan 8.310 nan 0.000 0.528 43 G N 0.461 109.167 108.800 -0.156 0.000 2.148 43 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.203 43 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.203 43 G C -0.028 174.877 174.900 0.008 0.000 0.993 43 G CA 0.069 45.126 45.100 -0.072 0.000 0.661 43 G HN 0.480 nan 8.290 nan 0.000 0.518 44 M N -0.550 119.075 119.600 0.041 0.000 2.202 44 M HA 0.456 4.936 4.480 -0.000 0.000 0.316 44 M C 1.821 178.218 176.300 0.162 0.000 1.138 44 M CA -0.152 55.206 55.300 0.097 0.000 1.151 44 M CB 0.629 33.296 32.600 0.111 0.000 1.422 44 M HN 0.137 nan 8.290 nan 0.000 0.471 45 R N -0.477 120.051 120.500 0.047 0.000 2.223 45 R HA 0.121 4.461 4.340 -0.000 0.000 0.198 45 R C 0.355 176.445 176.300 -0.350 0.000 0.984 45 R CA 0.193 56.239 56.100 -0.090 0.000 1.018 45 R CB 0.261 30.520 30.300 -0.069 0.000 0.945 45 R HN 0.518 nan 8.270 nan 0.000 0.479 46 S N 0.355 115.953 115.700 -0.169 0.000 2.452 46 S HA 0.149 4.619 4.470 -0.000 0.000 0.284 46 S C -0.133 174.422 174.600 -0.075 0.000 1.171 46 S CA -0.581 57.514 58.200 -0.174 0.000 1.064 46 S CB 0.339 63.498 63.200 -0.069 0.000 0.967 46 S HN 0.337 nan 8.310 nan 0.000 0.484 47 H N 2.603 121.599 119.070 -0.123 0.000 2.512 47 H HA 0.315 4.871 4.556 -0.000 0.000 0.276 47 H C -0.017 175.061 175.328 -0.416 0.000 1.126 47 H CA -0.588 55.266 56.048 -0.325 0.000 1.060 47 H CB 0.551 30.155 29.762 -0.263 0.000 1.646 47 H HN 0.437 nan 8.280 nan 0.000 0.571 48 V N -1.447 118.407 119.914 -0.100 0.000 2.769 48 V HA 0.618 4.738 4.120 -0.000 0.000 0.312 48 V C -1.139 175.024 176.094 0.116 0.000 1.061 48 V CA -0.927 61.359 62.300 -0.022 0.000 0.931 48 V CB 1.974 33.856 31.823 0.099 0.000 1.010 48 V HN 0.399 nan 8.190 nan 0.000 0.433 49 W N 1.233 122.542 121.300 0.015 0.000 3.066 49 W HA 0.805 5.465 4.660 -0.000 0.000 0.330 49 W C -0.341 176.195 176.519 0.029 0.000 1.253 49 W CA -1.714 55.644 57.345 0.022 0.000 1.187 49 W CB 0.894 30.362 29.460 0.014 0.000 1.434 49 W HN 1.010 nan 8.180 nan 0.000 0.572 50 G N 2.129 111.031 108.800 0.170 0.000 2.696 50 G HA2 0.401 4.361 3.960 -0.000 0.000 0.329 50 G HA3 0.401 4.361 3.960 -0.000 0.000 0.329 50 G C -0.492 174.279 174.900 -0.214 0.000 0.973 50 G CA -0.781 44.326 45.100 0.011 0.000 1.257 50 G HN 0.625 nan 8.290 nan 0.000 0.456 51 N N 0.161 118.663 118.700 -0.329 0.000 2.508 51 N HA 0.453 5.193 4.740 -0.000 0.000 0.285 51 N C -0.505 174.839 175.510 -0.277 0.000 1.144 51 N CA -0.903 51.842 53.050 -0.509 0.000 0.978 51 N CB 2.164 40.237 38.487 -0.690 0.000 1.180 51 N HN -0.000 nan 8.380 nan 0.000 0.484 52 V N 1.586 121.319 119.914 -0.302 0.000 2.427 52 V HA 0.070 4.190 4.120 -0.000 0.000 0.268 52 V C 0.223 176.242 176.094 -0.125 0.000 1.046 52 V CA -0.498 61.655 62.300 -0.245 0.000 0.970 52 V CB 0.547 32.116 31.823 -0.423 0.000 1.001 52 V HN 0.722 nan 8.190 nan 0.000 0.476 53 K N 6.277 126.633 120.400 -0.073 0.000 2.333 53 K HA 0.478 4.798 4.320 -0.000 0.000 0.241 53 K C -0.884 175.714 176.600 -0.004 0.000 1.193 53 K CA -0.315 55.960 56.287 -0.019 0.000 1.142 53 K CB 0.513 33.011 32.500 -0.002 0.000 1.731 53 K HN 0.428 nan 8.250 nan 0.000 0.344 54 L N 0.455 121.685 121.223 0.010 0.000 2.549 54 L HA 0.327 4.667 4.340 -0.000 0.000 0.259 54 L C -1.850 175.052 176.870 0.053 0.000 0.934 54 L CA -0.469 54.389 54.840 0.031 0.000 0.865 54 L CB 2.305 44.383 42.059 0.032 0.000 1.352 54 L HN 0.168 nan 8.230 nan 0.000 0.410 55 D N 1.605 122.033 120.400 0.047 0.000 2.347 55 D HA 0.308 4.948 4.640 -0.000 0.000 0.235 55 D C 0.751 177.078 176.300 0.045 0.000 1.149 55 D CA 0.311 54.338 54.000 0.045 0.000 0.850 55 D CB 1.518 42.338 40.800 0.034 0.000 1.061 55 D HN 0.684 nan 8.370 nan 0.000 0.487 56 T N -0.132 114.452 114.554 0.050 0.000 3.169 56 T HA 0.058 4.408 4.350 -0.000 0.000 0.250 56 T C 0.771 175.470 174.700 -0.000 0.000 1.111 56 T CA -0.307 61.816 62.100 0.038 0.000 1.010 56 T CB -0.390 68.505 68.868 0.045 0.000 0.984 56 T HN 0.225 nan 8.240 nan 0.000 0.537 57 T N 2.472 117.025 114.554 -0.001 0.000 2.867 57 T HA 0.425 4.775 4.350 -0.000 0.000 0.297 57 T C 1.561 176.249 174.700 -0.020 0.000 0.989 57 T CA 0.758 62.847 62.100 -0.018 0.000 1.159 57 T CB 0.225 69.088 68.868 -0.008 0.000 0.928 57 T HN 0.677 nan 8.240 nan 0.000 0.538 58 G N 2.675 111.452 108.800 -0.039 0.000 2.212 58 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.266 58 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.266 58 G C 0.919 175.802 174.900 -0.030 0.000 0.978 58 G CA 0.336 45.414 45.100 -0.036 0.000 0.632 58 G HN 0.680 nan 8.290 nan 0.000 0.537 59 L N -0.072 121.138 121.223 -0.022 0.000 2.376 59 L HA 0.310 4.650 4.340 -0.000 0.000 0.219 59 L C 1.204 178.063 176.870 -0.018 0.000 1.133 59 L CA 0.781 55.622 54.840 0.002 0.000 0.816 59 L CB -0.116 41.963 42.059 0.032 0.000 0.933 59 L HN 0.313 nan 8.230 nan 0.000 0.449 60 I N -0.991 119.519 120.570 -0.100 0.000 2.545 60 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 60 I C -0.381 175.621 176.117 -0.191 0.000 1.040 60 I CA -0.997 60.176 61.300 -0.212 0.000 1.068 60 I CB 2.100 39.828 38.000 -0.453 0.000 1.251 60 I HN -0.198 nan 8.210 nan 0.000 0.424 61 D N 4.332 124.628 120.400 -0.173 0.000 2.583 61 D HA -0.035 4.605 4.640 -0.000 0.000 0.232 61 D C 1.327 177.531 176.300 -0.161 0.000 1.128 61 D CA 0.681 54.602 54.000 -0.132 0.000 0.859 61 D CB 0.921 41.658 40.800 -0.104 0.000 1.169 61 D HN 0.416 nan 8.370 nan 0.000 0.481 62 R N 2.790 123.210 120.500 -0.133 0.000 2.113 62 R HA -0.219 4.121 4.340 -0.000 0.000 0.244 62 R C 1.813 178.001 176.300 -0.187 0.000 1.142 62 R CA 1.847 57.855 56.100 -0.154 0.000 0.953 62 R CB -0.040 30.189 30.300 -0.119 0.000 0.860 62 R HN 0.499 nan 8.270 nan 0.000 0.438 63 K N -0.236 120.083 120.400 -0.136 0.000 2.283 63 K HA -0.054 4.266 4.320 -0.000 0.000 0.202 63 K C 1.845 178.404 176.600 -0.069 0.000 1.048 63 K CA 0.860 57.081 56.287 -0.110 0.000 0.948 63 K CB 0.268 32.744 32.500 -0.041 0.000 0.742 63 K HN 0.051 nan 8.250 nan 0.000 0.458 64 V N -0.147 119.701 119.914 -0.109 0.000 2.575 64 V HA -0.099 4.021 4.120 -0.000 0.000 0.242 64 V C 1.874 177.878 176.094 -0.150 0.000 1.045 64 V CA 0.867 63.112 62.300 -0.092 0.000 1.065 64 V CB 0.328 32.019 31.823 -0.220 0.000 0.717 64 V HN 0.072 nan 8.190 nan 0.000 0.467 65 V N 2.025 121.780 119.914 -0.266 0.000 2.913 65 V HA -0.202 3.918 4.120 -0.000 0.000 0.260 65 V C 2.699 178.593 176.094 -0.334 0.000 1.098 65 V CA 2.008 64.129 62.300 -0.299 0.000 1.121 65 V CB -0.599 31.047 31.823 -0.294 0.000 0.714 65 V HN 0.720 nan 8.190 nan 0.000 0.487 66 R N -0.822 119.402 120.500 -0.461 0.000 2.152 66 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 66 R C 1.837 177.618 176.300 -0.864 0.000 1.117 66 R CA 2.087 57.711 56.100 -0.794 0.000 0.981 66 R CB -0.739 28.832 30.300 -1.216 0.000 0.870 66 R HN 0.498 nan 8.270 nan 0.000 0.451 67 F N 0.744 120.453 119.950 -0.402 0.000 2.754 67 F HA 0.299 4.826 4.527 -0.000 0.000 0.297 67 F C 0.903 176.562 175.800 -0.235 0.000 1.122 67 F CA -0.244 57.618 58.000 -0.230 0.000 1.400 67 F CB 0.184 39.108 39.000 -0.126 0.000 1.117 67 F HN -0.107 nan 8.300 nan 0.000 0.587 68 M N -0.147 119.370 119.600 -0.138 0.000 2.409 68 M HA 0.334 4.814 4.480 -0.000 0.000 0.329 68 M C 0.336 176.454 176.300 -0.303 0.000 1.180 68 M CA -0.638 54.554 55.300 -0.180 0.000 1.053 68 M CB 1.561 34.059 32.600 -0.169 0.000 1.586 68 M HN -0.069 nan 8.290 nan 0.000 0.461 69 S N -0.516 115.043 115.700 -0.236 0.000 2.747 69 S HA 0.360 4.829 4.470 -0.000 0.000 0.300 69 S C 0.246 174.751 174.600 -0.158 0.000 1.121 69 S CA -0.834 57.255 58.200 -0.185 0.000 0.995 69 S CB 1.147 64.320 63.200 -0.044 0.000 1.113 69 S HN 0.663 nan 8.310 nan 0.000 0.547 70 D N 1.143 121.452 120.400 -0.153 0.000 2.149 70 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 70 D C 2.172 178.147 176.300 -0.541 0.000 0.990 70 D CA 1.824 55.553 54.000 -0.450 0.000 0.839 70 D CB -0.876 39.645 40.800 -0.465 0.000 0.948 70 D HN 0.679 nan 8.370 nan 0.000 0.460 71 A N 0.478 123.179 122.820 -0.198 0.000 1.908 71 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 71 A C 2.441 180.018 177.584 -0.012 0.000 1.181 71 A CA 2.028 54.044 52.037 -0.034 0.000 0.627 71 A CB -0.558 18.462 19.000 0.033 0.000 0.818 71 A HN 0.192 nan 8.150 nan 0.000 0.445 72 S N -0.334 115.341 115.700 -0.041 0.000 2.383 72 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 72 S C 1.798 176.424 174.600 0.043 0.000 1.026 72 S CA 1.272 59.483 58.200 0.019 0.000 0.981 72 S CB -0.449 62.750 63.200 -0.002 0.000 0.818 72 S HN 0.543 nan 8.310 nan 0.000 0.472 73 I N 0.502 121.017 120.570 -0.092 0.000 2.142 73 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 73 I C 2.114 178.295 176.117 0.106 0.000 1.078 73 I CA 1.356 62.612 61.300 -0.073 0.000 1.343 73 I CB -0.470 37.391 38.000 -0.233 0.000 1.046 73 I HN 0.242 nan 8.210 nan 0.000 0.405 74 Y N 0.902 121.239 120.300 0.060 0.000 2.128 74 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 74 Y C 2.676 178.616 175.900 0.067 0.000 1.154 74 Y CA 0.860 58.989 58.100 0.049 0.000 1.149 74 Y CB -1.421 37.047 38.460 0.014 0.000 0.976 74 Y HN 0.146 nan 8.280 nan 0.000 0.505 75 A N -0.666 122.293 122.820 0.231 0.000 1.930 75 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 75 A C 2.228 179.904 177.584 0.154 0.000 1.175 75 A CA 1.279 53.404 52.037 0.145 0.000 0.627 75 A CB -1.325 17.740 19.000 0.109 0.000 0.815 75 A HN 0.454 nan 8.150 nan 0.000 0.443 76 F N 0.534 120.533 119.950 0.082 0.000 2.146 76 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 76 F C 1.899 177.775 175.800 0.127 0.000 1.096 76 F CA 1.636 59.718 58.000 0.137 0.000 1.275 76 F CB -0.116 38.946 39.000 0.103 0.000 1.008 76 F HN 0.132 nan 8.300 nan 0.000 0.480 77 L N -0.698 120.749 121.223 0.373 0.000 2.083 77 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 77 L C 2.455 179.376 176.870 0.086 0.000 1.083 77 L CA 1.312 56.300 54.840 0.246 0.000 0.752 77 L CB -0.865 41.330 42.059 0.227 0.000 0.899 77 L HN 0.083 nan 8.230 nan 0.000 0.433 78 S N -0.413 115.320 115.700 0.054 0.000 2.383 78 S HA -0.179 4.290 4.470 -0.000 0.000 0.227 78 S C 1.913 176.452 174.600 -0.101 0.000 1.026 78 S CA 1.348 59.539 58.200 -0.015 0.000 0.981 78 S CB -0.168 63.026 63.200 -0.010 0.000 0.818 78 S HN 0.351 nan 8.310 nan 0.000 0.472 79 M N 1.555 121.039 119.600 -0.193 0.000 2.132 79 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 79 M C 1.971 177.999 176.300 -0.454 0.000 1.065 79 M CA 1.435 56.481 55.300 -0.423 0.000 1.122 79 M CB -0.155 32.004 32.600 -0.735 0.000 1.365 79 M HN 0.213 nan 8.290 nan 0.000 0.411 80 E N -0.157 119.859 120.200 -0.307 0.000 2.085 80 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 80 E C 2.046 178.587 176.600 -0.099 0.000 0.994 80 E CA 1.665 57.971 56.400 -0.156 0.000 0.801 80 E CB -0.179 29.517 29.700 -0.007 0.000 0.743 80 E HN 0.690 nan 8.360 nan 0.000 0.453 81 Q N -0.041 119.718 119.800 -0.068 0.000 2.079 81 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 81 Q C 2.225 178.202 176.000 -0.038 0.000 0.974 81 Q CA 1.222 57.007 55.803 -0.029 0.000 0.840 81 Q CB -0.129 28.602 28.738 -0.013 0.000 0.898 81 Q HN 0.219 nan 8.270 nan 0.000 0.430 82 A N 0.886 123.660 122.820 -0.077 0.000 1.902 82 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 82 A C 2.021 179.588 177.584 -0.029 0.000 1.181 82 A CA 1.134 53.144 52.037 -0.044 0.000 0.623 82 A CB -0.604 18.368 19.000 -0.047 0.000 0.818 82 A HN 0.299 nan 8.150 nan 0.000 0.443 83 I N -0.342 120.155 120.570 -0.123 0.000 2.226 83 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 83 I C 2.950 179.049 176.117 -0.029 0.000 1.100 83 I CA 1.068 62.291 61.300 -0.130 0.000 1.374 83 I CB -0.297 37.502 38.000 -0.333 0.000 1.057 83 I HN 0.356 nan 8.210 nan 0.000 0.413 84 A N 0.198 123.009 122.820 -0.015 0.000 1.898 84 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 84 A C 1.994 179.601 177.584 0.038 0.000 1.181 84 A CA 2.195 54.246 52.037 0.023 0.000 0.620 84 A CB -0.656 18.358 19.000 0.024 0.000 0.819 84 A HN 0.427 nan 8.150 nan 0.000 0.442 85 D N -0.325 120.103 120.400 0.047 0.000 2.178 85 D HA 0.030 4.670 4.640 -0.000 0.000 0.202 85 D C 1.891 178.254 176.300 0.105 0.000 0.974 85 D CA 1.322 55.374 54.000 0.086 0.000 0.841 85 D CB -0.131 40.740 40.800 0.119 0.000 0.953 85 D HN 0.330 nan 8.370 nan 0.000 0.478 86 A N -0.635 122.236 122.820 0.085 0.000 2.067 86 A HA 0.344 4.664 4.320 -0.000 0.000 0.217 86 A C 1.904 179.530 177.584 0.069 0.000 1.156 86 A CA 1.232 53.318 52.037 0.082 0.000 0.683 86 A CB -0.542 18.488 19.000 0.051 0.000 0.808 86 A HN 0.493 nan 8.150 nan 0.000 0.455 87 G N -1.397 107.441 108.800 0.062 0.000 2.149 87 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.235 87 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.235 87 G C -0.060 174.887 174.900 0.078 0.000 1.018 87 G CA 0.209 45.345 45.100 0.060 0.000 0.728 87 G HN 0.431 nan 8.290 nan 0.000 0.508 88 L N 1.707 122.989 121.223 0.098 0.000 2.305 88 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 88 L C 1.125 178.131 176.870 0.227 0.000 1.085 88 L CA -0.116 54.824 54.840 0.167 0.000 0.813 88 L CB 1.532 43.705 42.059 0.190 0.000 1.157 88 L HN 0.419 nan 8.230 nan 0.000 0.436 89 S N 1.903 117.732 115.700 0.215 0.000 2.608 89 S HA 0.474 4.944 4.470 -0.000 0.000 0.291 89 S C -2.051 172.639 174.600 0.150 0.000 1.146 89 S CA -1.450 56.855 58.200 0.174 0.000 1.043 89 S CB 1.763 65.014 63.200 0.085 0.000 1.037 89 S HN 0.339 nan 8.310 nan 0.000 0.520 90 P HA -0.241 nan 4.420 nan 0.000 0.217 90 P C 1.450 178.545 177.300 -0.343 0.000 1.158 90 P CA 1.674 64.599 63.100 -0.291 0.000 0.887 90 P CB -0.065 31.556 31.700 -0.131 0.000 0.792 91 E N -0.511 119.605 120.200 -0.141 0.000 2.333 91 E HA -0.122 4.228 4.350 -0.000 0.000 0.198 91 E C 1.731 178.287 176.600 -0.073 0.000 1.007 91 E CA 1.502 57.839 56.400 -0.106 0.000 0.845 91 E CB -0.981 28.689 29.700 -0.049 0.000 0.766 91 E HN 0.250 nan 8.360 nan 0.000 0.507 92 A N 0.758 123.564 122.820 -0.023 0.000 1.984 92 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 92 A C 1.737 179.394 177.584 0.121 0.000 1.173 92 A CA 0.839 52.920 52.037 0.073 0.000 0.673 92 A CB -0.410 18.678 19.000 0.147 0.000 0.830 92 A HN 0.437 nan 8.150 nan 0.000 0.453 93 Y N -1.631 118.711 120.300 0.069 0.000 2.430 93 Y HA 0.444 4.994 4.550 -0.000 0.000 0.254 93 Y C 0.628 176.559 175.900 0.052 0.000 1.088 93 Y CA -0.653 57.503 58.100 0.093 0.000 1.267 93 Y CB -0.141 38.443 38.460 0.206 0.000 1.204 93 Y HN 0.153 nan 8.280 nan 0.000 0.515 94 Q N 2.110 121.570 119.800 -0.567 0.000 2.259 94 Q HA 0.184 4.524 4.340 -0.000 0.000 0.246 94 Q C -0.218 175.594 176.000 -0.313 0.000 0.920 94 Q CA -0.453 55.107 55.803 -0.406 0.000 0.895 94 Q CB 0.492 28.953 28.738 -0.460 0.000 1.220 94 Q HN 0.368 nan 8.270 nan 0.000 0.439 95 N N 1.996 120.415 118.700 -0.468 0.000 2.716 95 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 95 N C -1.099 174.157 175.510 -0.423 0.000 1.033 95 N CA 0.750 53.293 53.050 -0.845 0.000 0.727 95 N CB -1.010 37.207 38.487 -0.450 0.000 0.950 95 N HN 0.567 nan 8.380 nan 0.000 0.541 96 N N 0.465 119.030 118.700 -0.224 0.000 2.491 96 N HA 0.263 5.002 4.740 -0.000 0.000 0.274 96 N C -1.760 173.796 175.510 0.076 0.000 1.023 96 N CA -1.875 51.162 53.050 -0.021 0.000 0.902 96 N CB 1.487 39.975 38.487 0.003 0.000 1.267 96 N HN -0.128 nan 8.380 nan 0.000 0.503 97 P HA -0.062 nan 4.420 nan 0.000 0.228 97 P C 0.419 177.758 177.300 0.065 0.000 1.151 97 P CA 0.742 63.915 63.100 0.121 0.000 0.770 97 P CB 0.466 32.227 31.700 0.101 0.000 0.786 98 R N -0.414 120.109 120.500 0.039 0.000 2.334 98 R HA 0.235 4.575 4.340 -0.000 0.000 0.220 98 R C 0.175 176.455 176.300 -0.034 0.000 0.917 98 R CA -0.042 56.056 56.100 -0.003 0.000 1.073 98 R CB 0.267 30.558 30.300 -0.015 0.000 1.056 98 R HN 0.138 nan 8.270 nan 0.000 0.506 99 V N 0.360 120.281 119.914 0.012 0.000 2.444 99 V HA 0.629 4.749 4.120 -0.000 0.000 0.294 99 V C 0.420 176.549 176.094 0.059 0.000 1.022 99 V CA -0.762 61.546 62.300 0.014 0.000 0.850 99 V CB 1.757 33.642 31.823 0.104 0.000 0.992 99 V HN 0.297 nan 8.190 nan 0.000 0.426 100 G N 3.201 112.007 108.800 0.010 0.000 3.042 100 G HA2 0.832 4.791 3.960 -0.000 0.000 0.278 100 G HA3 0.832 4.791 3.960 -0.000 0.000 0.278 100 G C -1.765 173.171 174.900 0.060 0.000 1.371 100 G CA -0.769 44.343 45.100 0.020 0.000 1.009 100 G HN 0.709 nan 8.290 nan 0.000 0.523 101 L N -0.205 121.013 121.223 -0.009 0.000 2.516 101 L HA 0.693 5.033 4.340 -0.000 0.000 0.267 101 L C -1.541 175.250 176.870 -0.132 0.000 0.957 101 L CA -0.658 54.181 54.840 -0.001 0.000 0.860 101 L CB 1.674 43.755 42.059 0.038 0.000 1.265 101 L HN 0.431 nan 8.230 nan 0.000 0.403 102 I N 5.336 125.829 120.570 -0.128 0.000 2.476 102 I HA 0.765 4.935 4.170 -0.000 0.000 0.281 102 I C -0.451 175.636 176.117 -0.050 0.000 1.040 102 I CA -0.314 60.886 61.300 -0.167 0.000 1.094 102 I CB 1.754 39.623 38.000 -0.218 0.000 1.219 102 I HN 0.680 nan 8.210 nan 0.000 0.450 103 A N 4.321 127.136 122.820 -0.008 0.000 2.549 103 A HA 0.980 5.300 4.320 -0.000 0.000 0.297 103 A C -0.611 177.003 177.584 0.049 0.000 1.061 103 A CA -0.475 51.573 52.037 0.018 0.000 0.690 103 A CB 1.934 20.941 19.000 0.012 0.000 1.287 103 A HN 0.761 nan 8.150 nan 0.000 0.402 104 G N -0.308 108.524 108.800 0.054 0.000 2.721 104 G HA2 0.810 4.770 3.960 -0.000 0.000 0.296 104 G HA3 0.810 4.770 3.960 -0.000 0.000 0.296 104 G C -0.653 174.282 174.900 0.060 0.000 1.383 104 G CA 0.164 45.304 45.100 0.067 0.000 0.788 104 G HN 1.885 nan 8.290 nan 0.000 0.500 105 S N -1.866 113.872 115.700 0.063 0.000 2.595 105 S HA 0.658 5.128 4.470 -0.000 0.000 0.281 105 S C 0.941 175.578 174.600 0.061 0.000 1.117 105 S CA 0.244 58.478 58.200 0.058 0.000 0.873 105 S CB 1.606 64.842 63.200 0.059 0.000 1.108 105 S HN 1.528 nan 8.310 nan 0.000 0.477 106 G N 0.026 108.858 108.800 0.053 0.000 2.464 106 G HA2 0.320 4.280 3.960 -0.000 0.000 0.217 106 G HA3 0.320 4.280 3.960 -0.000 0.000 0.217 106 G C 0.869 175.813 174.900 0.074 0.000 1.138 106 G CA 0.405 45.541 45.100 0.060 0.000 0.793 106 G HN 1.202 nan 8.290 nan 0.000 0.539 107 G N -1.358 107.486 108.800 0.073 0.000 3.274 107 G HA2 0.456 4.416 3.960 -0.000 0.000 0.250 107 G HA3 0.456 4.416 3.960 -0.000 0.000 0.250 107 G C 1.054 175.993 174.900 0.065 0.000 1.024 107 G CA 0.830 45.976 45.100 0.076 0.000 0.840 107 G HN 1.090 nan 8.290 nan 0.000 0.522 108 G N 0.386 109.224 108.800 0.063 0.000 2.557 108 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.292 108 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.292 108 G C 0.389 175.331 174.900 0.070 0.000 1.162 108 G CA 0.737 45.876 45.100 0.063 0.000 0.964 108 G HN 1.420 nan 8.290 nan 0.000 0.541 109 S N 1.528 117.278 115.700 0.083 0.000 2.312 109 S HA 0.642 5.112 4.470 -0.000 0.000 0.173 109 S C -1.398 173.251 174.600 0.082 0.000 1.488 109 S CA 0.091 58.357 58.200 0.110 0.000 1.239 109 S CB 1.672 64.994 63.200 0.202 0.000 1.215 109 S HN 0.273 nan 8.310 nan 0.000 0.438 110 P HA -0.093 nan 4.420 nan 0.000 0.218 110 P C 1.508 178.750 177.300 -0.096 0.000 1.148 110 P CA 0.653 63.730 63.100 -0.038 0.000 0.822 110 P CB 0.132 31.787 31.700 -0.076 0.000 0.784 111 R N -0.842 119.574 120.500 -0.141 0.000 2.091 111 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 111 R C 1.754 177.856 176.300 -0.330 0.000 1.136 111 R CA 1.693 57.617 56.100 -0.292 0.000 0.959 111 R CB -0.882 29.197 30.300 -0.368 0.000 0.856 111 R HN 0.119 nan 8.270 nan 0.000 0.437 112 F N 0.632 120.592 119.950 0.016 0.000 2.615 112 F HA 0.040 4.567 4.527 -0.000 0.000 0.297 112 F C 2.468 178.358 175.800 0.150 0.000 1.124 112 F CA 0.377 58.432 58.000 0.092 0.000 1.451 112 F CB 0.126 39.139 39.000 0.021 0.000 1.103 112 F HN 0.040 nan 8.300 nan 0.000 0.569 113 Q N 0.075 119.988 119.800 0.188 0.000 2.016 113 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 113 Q C 2.610 178.667 176.000 0.096 0.000 0.978 113 Q CA 1.494 57.375 55.803 0.130 0.000 0.833 113 Q CB -0.881 27.898 28.738 0.067 0.000 0.895 113 Q HN 0.293 nan 8.270 nan 0.000 0.427 114 V N 1.231 121.170 119.914 0.043 0.000 2.343 114 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 114 V C 2.131 178.256 176.094 0.053 0.000 1.051 114 V CA 1.853 64.163 62.300 0.018 0.000 1.036 114 V CB -0.826 30.968 31.823 -0.048 0.000 0.654 114 V HN 0.249 nan 8.190 nan 0.000 0.451 115 F N 2.218 122.124 119.950 -0.074 0.000 2.095 115 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 115 F C 2.164 177.982 175.800 0.030 0.000 1.104 115 F CA 1.948 59.920 58.000 -0.047 0.000 1.232 115 F CB -0.837 38.088 39.000 -0.126 0.000 0.987 115 F HN 0.132 nan 8.300 nan 0.000 0.475 116 G N -0.370 108.488 108.800 0.096 0.000 2.422 116 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 116 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 116 G C 1.773 176.610 174.900 -0.104 0.000 1.146 116 G CA 0.746 45.829 45.100 -0.029 0.000 0.769 116 G HN 0.648 nan 8.290 nan 0.000 0.547 117 A N 1.097 123.888 122.820 -0.047 0.000 1.898 117 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 117 A C 2.096 179.632 177.584 -0.080 0.000 1.181 117 A CA 1.997 54.009 52.037 -0.042 0.000 0.620 117 A CB -0.367 18.629 19.000 -0.007 0.000 0.819 117 A HN 0.254 nan 8.150 nan 0.000 0.442 118 D N 0.263 120.599 120.400 -0.106 0.000 2.117 118 D HA -0.063 4.577 4.640 -0.000 0.000 0.197 118 D C 2.217 178.411 176.300 -0.176 0.000 0.987 118 D CA 1.572 55.504 54.000 -0.112 0.000 0.829 118 D CB -0.463 40.282 40.800 -0.091 0.000 0.961 118 D HN 0.414 nan 8.370 nan 0.000 0.460 119 A N 0.611 123.234 122.820 -0.328 0.000 1.902 119 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 119 A C 2.148 179.627 177.584 -0.177 0.000 1.181 119 A CA 1.663 53.502 52.037 -0.330 0.000 0.623 119 A CB -0.522 18.136 19.000 -0.570 0.000 0.818 119 A HN 0.168 nan 8.150 nan 0.000 0.443 120 M N -0.328 119.186 119.600 -0.144 0.000 2.213 120 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 120 M C 1.691 177.956 176.300 -0.059 0.000 1.062 120 M CA 1.523 56.775 55.300 -0.080 0.000 1.105 120 M CB -0.317 32.248 32.600 -0.058 0.000 1.385 120 M HN 0.333 nan 8.290 nan 0.000 0.417 121 R N -0.103 120.360 120.500 -0.060 0.000 2.310 121 R HA 0.278 4.617 4.340 -0.000 0.000 0.202 121 R C 1.123 177.400 176.300 -0.038 0.000 0.933 121 R CA 0.357 56.433 56.100 -0.040 0.000 1.054 121 R CB -0.385 29.897 30.300 -0.031 0.000 0.985 121 R HN 0.444 nan 8.270 nan 0.000 0.489 122 G N 0.920 109.690 108.800 -0.051 0.000 2.543 122 G HA2 0.138 4.098 3.960 -0.000 0.000 0.290 122 G HA3 0.138 4.098 3.960 -0.000 0.000 0.290 122 G C -1.461 173.421 174.900 -0.030 0.000 1.310 122 G CA -1.017 44.059 45.100 -0.040 0.000 1.025 122 G HN -0.035 nan 8.290 nan 0.000 0.502 123 P HA 0.022 nan 4.420 nan 0.000 0.237 123 P C 0.989 178.280 177.300 -0.016 0.000 1.178 123 P CA 0.509 63.599 63.100 -0.016 0.000 0.766 123 P CB 0.425 32.119 31.700 -0.010 0.000 0.876 124 R N -0.688 119.800 120.500 -0.021 0.000 2.334 124 R HA 0.203 4.543 4.340 -0.000 0.000 0.212 124 R C 1.618 177.904 176.300 -0.024 0.000 0.897 124 R CA 0.647 56.736 56.100 -0.018 0.000 1.056 124 R CB -0.232 30.060 30.300 -0.013 0.000 1.046 124 R HN 0.169 nan 8.270 nan 0.000 0.513 125 G N 2.247 111.027 108.800 -0.033 0.000 2.652 125 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.318 125 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.318 125 G C 0.941 175.819 174.900 -0.036 0.000 1.295 125 G CA 0.537 45.616 45.100 -0.035 0.000 0.999 125 G HN 0.247 nan 8.290 nan 0.000 0.548 126 L N 0.265 121.473 121.223 -0.025 0.000 2.129 126 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 126 L C 2.995 179.855 176.870 -0.016 0.000 1.087 126 L CA 2.278 57.105 54.840 -0.021 0.000 0.757 126 L CB -0.475 41.574 42.059 -0.016 0.000 0.896 126 L HN 0.549 nan 8.230 nan 0.000 0.434 127 K N -0.187 120.205 120.400 -0.013 0.000 2.148 127 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 127 K C 2.165 178.770 176.600 0.009 0.000 1.050 127 K CA 1.193 57.477 56.287 -0.004 0.000 0.942 127 K CB -0.172 32.326 32.500 -0.002 0.000 0.724 127 K HN 0.289 nan 8.250 nan 0.000 0.446 128 A N 0.701 123.517 122.820 -0.006 0.000 1.970 128 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 128 A C 2.271 179.858 177.584 0.006 0.000 1.170 128 A CA 0.810 52.844 52.037 -0.004 0.000 0.645 128 A CB -0.321 18.645 19.000 -0.057 0.000 0.816 128 A HN 0.038 nan 8.150 nan 0.000 0.447 129 V N -0.407 119.495 119.914 -0.021 0.000 2.307 129 V HA 0.197 4.317 4.120 -0.000 0.000 0.245 129 V C 1.613 177.804 176.094 0.161 0.000 1.045 129 V CA 1.209 63.528 62.300 0.030 0.000 1.024 129 V CB -1.932 29.893 31.823 0.003 0.000 0.651 129 V HN 1.257 nan 8.190 nan 0.000 0.449 130 G N 0.453 109.292 108.800 0.065 0.000 2.746 130 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.685 130 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.685 130 G C -1.739 173.101 174.900 -0.100 0.000 1.350 130 G CA -0.106 44.998 45.100 0.007 0.000 0.837 130 G HN 0.318 nan 8.290 nan 0.000 0.564 131 P HA 0.227 nan 4.420 nan 0.000 0.261 131 P C 0.163 177.147 177.300 -0.526 0.000 1.352 131 P CA 0.650 63.488 63.100 -0.435 0.000 0.891 131 P CB 0.006 31.388 31.700 -0.531 0.000 1.383 132 Y N -1.651 118.634 120.300 -0.026 0.000 2.481 132 Y HA 0.112 4.662 4.550 -0.000 0.000 0.247 132 Y C 2.241 178.115 175.900 -0.044 0.000 1.151 132 Y CA -0.193 57.863 58.100 -0.074 0.000 1.238 132 Y CB -0.411 37.895 38.460 -0.257 0.000 1.179 132 Y HN -0.283 nan 8.280 nan 0.000 0.524 133 V N -1.109 118.877 119.914 0.121 0.000 2.626 133 V HA -0.220 3.900 4.120 -0.000 0.000 0.252 133 V C 2.110 178.268 176.094 0.107 0.000 1.067 133 V CA 1.437 63.819 62.300 0.136 0.000 1.081 133 V CB -0.697 31.282 31.823 0.260 0.000 0.686 133 V HN 0.230 nan 8.190 nan 0.000 0.468 134 V N 1.204 121.178 119.914 0.101 0.000 2.255 134 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 134 V C 2.816 178.961 176.094 0.085 0.000 1.051 134 V CA 2.727 65.080 62.300 0.088 0.000 1.018 134 V CB -1.102 30.766 31.823 0.075 0.000 0.641 134 V HN 0.826 nan 8.190 nan 0.000 0.445 135 T N -2.425 112.199 114.554 0.116 0.000 2.995 135 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 135 T C 1.714 176.439 174.700 0.043 0.000 1.091 135 T CA 1.143 63.302 62.100 0.098 0.000 1.128 135 T CB -0.202 68.769 68.868 0.172 0.000 0.891 135 T HN 0.463 nan 8.240 nan 0.000 0.492 136 K N 0.989 121.385 120.400 -0.008 0.000 2.098 136 K HA 0.340 4.660 4.320 -0.000 0.000 0.203 136 K C 2.650 179.254 176.600 0.007 0.000 1.051 136 K CA 0.955 57.171 56.287 -0.118 0.000 0.957 136 K CB -0.152 32.082 32.500 -0.443 0.000 0.738 136 K HN 0.403 nan 8.250 nan 0.000 0.447 137 A N 1.845 124.707 122.820 0.071 0.000 2.030 137 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 137 A C 1.226 178.858 177.584 0.079 0.000 1.164 137 A CA -0.068 52.035 52.037 0.111 0.000 0.697 137 A CB -0.424 18.663 19.000 0.145 0.000 0.827 137 A HN 0.340 nan 8.150 nan 0.000 0.457 138 M N -1.404 118.235 119.600 0.064 0.000 2.249 138 M HA 0.449 4.929 4.480 -0.000 0.000 0.340 138 M C 0.947 177.279 176.300 0.053 0.000 1.166 138 M CA 0.448 55.781 55.300 0.055 0.000 1.115 138 M CB 0.484 33.113 32.600 0.048 0.000 1.606 138 M HN 0.076 nan 8.290 nan 0.000 0.448 139 A N 2.393 125.244 122.820 0.051 0.000 1.978 139 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 139 A C 2.035 179.653 177.584 0.057 0.000 1.170 139 A CA 2.077 54.146 52.037 0.054 0.000 0.636 139 A CB -0.972 18.058 19.000 0.050 0.000 0.810 139 A HN 1.027 nan 8.150 nan 0.000 0.448 140 S N -0.952 114.782 115.700 0.056 0.000 2.660 140 S HA 0.320 4.790 4.470 -0.000 0.000 0.227 140 S C 1.602 176.235 174.600 0.054 0.000 0.948 140 S CA 0.567 58.804 58.200 0.063 0.000 0.948 140 S CB -0.295 62.945 63.200 0.067 0.000 0.779 140 S HN 0.588 nan 8.310 nan 0.000 0.487 141 G N 2.184 111.012 108.800 0.047 0.000 2.469 141 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 141 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 141 G C 1.296 176.220 174.900 0.041 0.000 1.150 141 G CA 1.247 46.369 45.100 0.037 0.000 0.763 141 G HN 0.490 nan 8.290 nan 0.000 0.561 142 V N 1.721 121.665 119.914 0.049 0.000 2.392 142 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 142 V C 3.229 179.361 176.094 0.063 0.000 1.059 142 V CA 2.496 64.831 62.300 0.058 0.000 1.051 142 V CB -0.469 31.389 31.823 0.058 0.000 0.658 142 V HN 0.644 nan 8.190 nan 0.000 0.455 143 S N 0.503 116.238 115.700 0.058 0.000 2.388 143 S HA 0.044 4.514 4.470 -0.000 0.000 0.223 143 S C 2.122 176.754 174.600 0.052 0.000 1.034 143 S CA 0.889 59.120 58.200 0.051 0.000 0.963 143 S CB -0.333 62.897 63.200 0.050 0.000 0.827 143 S HN 0.519 nan 8.310 nan 0.000 0.481 144 A N 1.015 123.861 122.820 0.043 0.000 1.902 144 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 144 A C 2.339 179.928 177.584 0.009 0.000 1.181 144 A CA 1.546 53.595 52.037 0.020 0.000 0.623 144 A CB -1.491 17.511 19.000 0.003 0.000 0.818 144 A HN 0.697 nan 8.150 nan 0.000 0.443 145 C N -1.258 118.058 119.300 0.027 0.000 2.472 145 C HA 0.155 4.615 4.460 -0.000 0.000 0.278 145 C C 2.238 177.306 174.990 0.129 0.000 1.447 145 C CA 0.653 59.693 59.018 0.037 0.000 1.773 145 C CB -1.260 26.505 27.740 0.042 0.000 1.793 145 C HN 0.528 nan 8.230 nan 0.000 0.544 146 L N 0.339 121.659 121.223 0.163 0.000 2.388 146 L HA 0.268 4.608 4.340 -0.000 0.000 0.209 146 L C 2.595 179.621 176.870 0.260 0.000 1.061 146 L CA 1.404 56.413 54.840 0.281 0.000 0.834 146 L CB -0.960 41.219 42.059 0.201 0.000 1.029 146 L HN 0.159 nan 8.230 nan 0.000 0.473 147 A N -0.964 121.940 122.820 0.140 0.000 1.972 147 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 147 A C 2.271 179.931 177.584 0.125 0.000 1.169 147 A CA 2.300 54.411 52.037 0.125 0.000 0.635 147 A CB -0.843 18.204 19.000 0.079 0.000 0.810 147 A HN 0.394 nan 8.150 nan 0.000 0.446 148 T N 0.389 114.987 114.554 0.074 0.000 2.698 148 T HA -0.041 4.309 4.350 -0.000 0.000 0.260 148 T C -0.044 174.672 174.700 0.026 0.000 1.044 148 T CA 1.677 63.794 62.100 0.029 0.000 1.149 148 T CB -1.159 67.676 68.868 -0.054 0.000 0.864 148 T HN 0.386 nan 8.240 nan 0.000 0.419 149 P HA 0.017 nan 4.420 nan 0.000 0.217 149 P C 0.817 178.036 177.300 -0.134 0.000 1.150 149 P CA 0.955 64.000 63.100 -0.092 0.000 0.832 149 P CB -0.192 31.434 31.700 -0.122 0.000 0.787 150 F N -0.533 119.447 119.950 0.049 0.000 2.811 150 F HA 0.091 4.618 4.527 -0.000 0.000 0.301 150 F C 0.709 176.547 175.800 0.064 0.000 1.151 150 F CA 0.137 58.166 58.000 0.048 0.000 1.412 150 F CB -0.338 38.626 39.000 -0.061 0.000 1.113 150 F HN -0.246 nan 8.300 nan 0.000 0.579 151 K N 0.464 120.962 120.400 0.163 0.000 3.096 151 K HA -0.192 4.128 4.320 -0.000 0.000 0.266 151 K C -0.473 176.185 176.600 0.096 0.000 1.043 151 K CA 0.333 56.672 56.287 0.086 0.000 0.758 151 K CB -2.358 30.122 32.500 -0.034 0.000 1.260 151 K HN 0.204 nan 8.250 nan 0.000 0.481 152 I N 1.216 121.900 120.570 0.189 0.000 2.496 152 I HA 0.044 4.213 4.170 -0.000 0.000 0.285 152 I C 1.939 178.237 176.117 0.302 0.000 1.080 152 I CA 0.263 61.685 61.300 0.203 0.000 1.404 152 I CB 0.392 38.498 38.000 0.177 0.000 1.403 152 I HN 0.248 nan 8.210 nan 0.000 0.539 153 H N 3.328 122.438 119.070 0.067 0.000 2.740 153 H HA 0.168 4.724 4.556 -0.000 0.000 0.265 153 H C 1.375 176.723 175.328 0.033 0.000 0.978 153 H CA 0.004 56.077 56.048 0.042 0.000 1.198 153 H CB 1.383 31.165 29.762 0.034 0.000 1.467 153 H HN 0.774 nan 8.280 nan 0.000 0.511 154 G N 1.103 109.992 108.800 0.149 0.000 2.783 154 G HA2 0.215 4.175 3.960 -0.000 0.000 0.182 154 G HA3 0.215 4.175 3.960 -0.000 0.000 0.182 154 G C 0.206 175.128 174.900 0.036 0.000 1.516 154 G CA 0.082 45.225 45.100 0.072 0.000 1.079 154 G HN 0.118 nan 8.290 nan 0.000 0.573 155 V N -0.847 119.060 119.914 -0.012 0.000 2.963 155 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 155 V C -0.225 175.798 176.094 -0.117 0.000 1.077 155 V CA -0.406 61.858 62.300 -0.061 0.000 1.124 155 V CB 1.248 32.976 31.823 -0.158 0.000 0.987 155 V HN 0.748 nan 8.190 nan 0.000 0.487 156 N N 2.917 121.550 118.700 -0.112 0.000 2.655 156 N HA 0.482 5.222 4.740 -0.000 0.000 0.277 156 N C -1.231 174.295 175.510 0.027 0.000 1.177 156 N CA -0.572 52.432 53.050 -0.077 0.000 0.882 156 N CB 1.202 39.700 38.487 0.020 0.000 1.481 156 N HN 1.041 nan 8.380 nan 0.000 0.547 157 Y N -1.058 119.260 120.300 0.031 0.000 2.741 157 Y HA 0.651 5.201 4.550 -0.000 0.000 0.339 157 Y C -1.331 174.586 175.900 0.028 0.000 1.226 157 Y CA -1.144 56.971 58.100 0.025 0.000 1.072 157 Y CB 0.483 38.955 38.460 0.020 0.000 1.331 157 Y HN 0.117 nan 8.280 nan 0.000 0.453 158 S N 1.715 117.601 115.700 0.311 0.000 2.509 158 S HA 0.709 5.179 4.470 -0.000 0.000 0.297 158 S C -0.819 173.915 174.600 0.223 0.000 1.118 158 S CA -0.718 57.605 58.200 0.205 0.000 1.074 158 S CB 1.059 64.333 63.200 0.123 0.000 1.038 158 S HN 0.516 nan 8.310 nan 0.000 0.498 159 I N 1.841 122.520 120.570 0.182 0.000 2.474 159 I HA 0.470 4.640 4.170 -0.000 0.000 0.294 159 I C -0.150 176.036 176.117 0.115 0.000 1.005 159 I CA -0.331 61.056 61.300 0.145 0.000 1.113 159 I CB 2.036 40.137 38.000 0.168 0.000 1.289 159 I HN 0.474 nan 8.210 nan 0.000 0.436 160 S N 3.069 118.824 115.700 0.091 0.000 2.557 160 S HA 0.624 5.094 4.470 -0.000 0.000 0.291 160 S C -0.398 174.263 174.600 0.101 0.000 1.116 160 S CA -0.406 57.850 58.200 0.093 0.000 0.992 160 S CB 1.120 64.365 63.200 0.075 0.000 1.028 160 S HN 0.679 nan 8.310 nan 0.000 0.484 161 S N 2.700 118.482 115.700 0.136 0.000 2.589 161 S HA 0.602 5.072 4.470 -0.000 0.000 0.210 161 S C 0.577 175.273 174.600 0.160 0.000 0.803 161 S CA 0.045 58.345 58.200 0.165 0.000 1.061 161 S CB -0.250 63.113 63.200 0.271 0.000 1.637 161 S HN 1.913 nan 8.310 nan 0.000 0.462 162 A N 0.846 123.736 122.820 0.117 0.000 5.308 162 A HA -0.354 3.966 4.320 -0.000 0.000 0.321 162 A C 1.769 179.383 177.584 0.050 0.000 1.849 162 A CA 1.461 53.544 52.037 0.076 0.000 0.713 162 A CB -2.267 16.791 19.000 0.096 0.000 1.360 162 A HN 1.489 nan 8.150 nan 0.000 0.384 163 C N 0.225 119.554 119.300 0.048 0.000 2.437 163 C HA 0.357 4.817 4.460 -0.000 0.000 0.283 163 C C 2.857 177.886 174.990 0.066 0.000 1.424 163 C CA 1.245 60.326 59.018 0.105 0.000 1.782 163 C CB -1.766 26.117 27.740 0.238 0.000 1.833 163 C HN 1.352 nan 8.230 nan 0.000 0.532 164 A N 0.256 123.107 122.820 0.053 0.000 2.308 164 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 164 A C 1.910 179.506 177.584 0.019 0.000 1.216 164 A CA 0.988 53.010 52.037 -0.026 0.000 0.864 164 A CB -0.658 18.318 19.000 -0.039 0.000 0.902 164 A HN 0.465 nan 8.150 nan 0.000 0.499 165 T N 1.504 116.118 114.554 0.099 0.000 2.527 165 T HA -0.286 4.064 4.350 -0.000 0.000 0.258 165 T C 2.199 176.949 174.700 0.082 0.000 1.175 165 T CA 2.755 64.927 62.100 0.119 0.000 1.168 165 T CB -0.588 68.329 68.868 0.082 0.000 0.860 165 T HN 0.817 nan 8.240 nan 0.000 0.429 166 S N 1.335 117.047 115.700 0.020 0.000 2.515 166 S HA 0.274 4.744 4.470 -0.000 0.000 0.231 166 S C 2.203 176.773 174.600 -0.050 0.000 0.987 166 S CA 0.669 58.863 58.200 -0.011 0.000 0.936 166 S CB -0.334 62.847 63.200 -0.032 0.000 0.766 166 S HN 0.574 nan 8.310 nan 0.000 0.528 167 A N 1.783 124.552 122.820 -0.084 0.000 1.898 167 A HA 0.049 4.369 4.320 -0.000 0.000 0.214 167 A C 1.894 179.410 177.584 -0.113 0.000 1.183 167 A CA 1.167 53.123 52.037 -0.135 0.000 0.622 167 A CB -0.963 17.920 19.000 -0.195 0.000 0.824 167 A HN 0.655 nan 8.150 nan 0.000 0.444 168 H N -1.486 117.610 119.070 0.043 0.000 2.423 168 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 168 H C 2.153 177.469 175.328 -0.019 0.000 1.075 168 H CA 1.320 57.414 56.048 0.077 0.000 1.342 168 H CB -0.155 29.684 29.762 0.128 0.000 1.395 168 H HN 0.536 nan 8.280 nan 0.000 0.530 169 C N 0.198 119.550 119.300 0.088 0.000 2.429 169 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 169 C C 2.664 177.611 174.990 -0.071 0.000 1.262 169 C CA 0.721 59.754 59.018 0.025 0.000 1.733 169 C CB -0.761 26.988 27.740 0.016 0.000 2.010 169 C HN 0.534 nan 8.230 nan 0.000 0.483 170 I N 1.038 121.533 120.570 -0.125 0.000 2.286 170 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 170 I C 2.725 178.649 176.117 -0.321 0.000 1.104 170 I CA 1.689 62.877 61.300 -0.188 0.000 1.397 170 I CB -0.893 37.002 38.000 -0.176 0.000 1.072 170 I HN 0.431 nan 8.210 nan 0.000 0.417 171 G N 0.482 108.953 108.800 -0.549 0.000 2.418 171 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 171 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 171 G C 1.444 175.968 174.900 -0.626 0.000 1.158 171 G CA 0.709 45.053 45.100 -1.260 0.000 0.771 171 G HN 0.393 nan 8.290 nan 0.000 0.545 172 N N 0.798 119.356 118.700 -0.237 0.000 2.244 172 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 172 N C 2.529 178.009 175.510 -0.050 0.000 1.016 172 N CA 0.870 53.907 53.050 -0.020 0.000 0.866 172 N CB -0.067 38.484 38.487 0.106 0.000 0.980 172 N HN 0.256 nan 8.380 nan 0.000 0.430 173 A N 0.785 123.539 122.820 -0.111 0.000 1.902 173 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 173 A C 2.397 179.913 177.584 -0.113 0.000 1.181 173 A CA 1.119 53.084 52.037 -0.118 0.000 0.623 173 A CB -0.776 18.139 19.000 -0.142 0.000 0.818 173 A HN 0.167 nan 8.150 nan 0.000 0.443 174 V N 0.341 120.171 119.914 -0.139 0.000 2.287 174 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 174 V C 2.397 178.465 176.094 -0.043 0.000 1.053 174 V CA 2.426 64.665 62.300 -0.102 0.000 1.027 174 V CB -0.955 30.791 31.823 -0.128 0.000 0.646 174 V HN 0.672 nan 8.190 nan 0.000 0.447 175 E N -0.529 119.663 120.200 -0.015 0.000 2.153 175 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 175 E C 2.344 178.955 176.600 0.018 0.000 0.988 175 E CA 1.000 57.420 56.400 0.034 0.000 0.811 175 E CB -0.174 29.576 29.700 0.084 0.000 0.746 175 E HN 0.564 nan 8.360 nan 0.000 0.466 176 Q N 0.273 120.073 119.800 -0.000 0.000 2.170 176 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 176 Q C 2.234 178.221 176.000 -0.023 0.000 0.976 176 Q CA 1.017 56.817 55.803 -0.006 0.000 0.858 176 Q CB -0.058 28.664 28.738 -0.027 0.000 0.907 176 Q HN 0.430 nan 8.270 nan 0.000 0.433 177 I N 0.483 121.028 120.570 -0.040 0.000 2.333 177 I HA -0.247 3.923 4.170 -0.000 0.000 0.246 177 I C 2.310 178.413 176.117 -0.023 0.000 1.106 177 I CA 0.834 62.105 61.300 -0.048 0.000 1.411 177 I CB -0.156 37.802 38.000 -0.071 0.000 1.082 177 I HN 0.200 nan 8.210 nan 0.000 0.420 178 Q N 0.065 119.859 119.800 -0.009 0.000 2.170 178 Q HA -0.180 4.160 4.340 -0.000 0.000 0.203 178 Q C 1.957 177.963 176.000 0.009 0.000 0.976 178 Q CA 1.113 56.920 55.803 0.005 0.000 0.858 178 Q CB -0.030 28.721 28.738 0.021 0.000 0.907 178 Q HN 0.325 nan 8.270 nan 0.000 0.433 179 L N -0.697 120.533 121.223 0.010 0.000 2.478 179 L HA 0.074 4.413 4.340 -0.000 0.000 0.223 179 L C 1.280 178.155 176.870 0.008 0.000 1.140 179 L CA 1.671 56.519 54.840 0.013 0.000 0.842 179 L CB -0.587 41.484 42.059 0.020 0.000 0.953 179 L HN 0.407 nan 8.230 nan 0.000 0.452 180 G N -0.936 107.864 108.800 -0.000 0.000 2.143 180 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.249 180 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.249 180 G C 1.365 176.263 174.900 -0.004 0.000 0.981 180 G CA 0.678 45.777 45.100 -0.003 0.000 0.665 180 G HN 0.397 nan 8.290 nan 0.000 0.528 181 K N -0.834 119.562 120.400 -0.006 0.000 2.243 181 K HA 0.122 4.442 4.320 -0.000 0.000 0.201 181 K C 0.981 177.570 176.600 -0.018 0.000 1.051 181 K CA 0.791 57.076 56.287 -0.003 0.000 0.970 181 K CB 0.079 32.584 32.500 0.008 0.000 0.755 181 K HN 0.432 nan 8.250 nan 0.000 0.465 182 Q N -0.419 119.356 119.800 -0.042 0.000 2.456 182 Q HA 0.154 4.494 4.340 -0.000 0.000 0.284 182 Q C -0.501 175.429 176.000 -0.117 0.000 1.061 182 Q CA -0.387 55.372 55.803 -0.073 0.000 0.799 182 Q CB 1.938 30.625 28.738 -0.086 0.000 1.445 182 Q HN -0.062 nan 8.270 nan 0.000 0.411 183 D N 0.081 120.371 120.400 -0.183 0.000 2.379 183 D HA 0.290 4.930 4.640 -0.000 0.000 0.218 183 D C 0.246 176.309 176.300 -0.396 0.000 1.006 183 D CA 0.760 54.568 54.000 -0.319 0.000 0.893 183 D CB 1.373 41.868 40.800 -0.508 0.000 1.019 183 D HN 0.352 nan 8.370 nan 0.000 0.503 184 I N 0.710 121.072 120.570 -0.347 0.000 2.619 184 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 184 I C -1.200 174.697 176.117 -0.365 0.000 1.100 184 I CA -0.812 60.254 61.300 -0.390 0.000 1.043 184 I CB 3.329 41.052 38.000 -0.461 0.000 1.239 184 I HN -0.411 nan 8.210 nan 0.000 0.420 185 V N 5.607 125.279 119.914 -0.404 0.000 2.569 185 V HA 0.385 4.505 4.120 -0.000 0.000 0.301 185 V C -0.730 175.134 176.094 -0.382 0.000 1.044 185 V CA -0.602 61.509 62.300 -0.316 0.000 0.874 185 V CB 1.665 33.370 31.823 -0.196 0.000 1.002 185 V HN 0.388 nan 8.190 nan 0.000 0.424 186 F N 3.466 123.314 119.950 -0.170 0.000 2.445 186 F HA 0.671 5.198 4.527 -0.000 0.000 0.359 186 F C 0.773 176.473 175.800 -0.167 0.000 1.101 186 F CA 0.057 57.940 58.000 -0.194 0.000 1.177 186 F CB 1.061 39.908 39.000 -0.255 0.000 1.110 186 F HN 0.589 nan 8.300 nan 0.000 0.522 187 A N 2.601 125.409 122.820 -0.018 0.000 2.401 187 A HA 0.958 5.277 4.320 -0.000 0.000 0.310 187 A C 0.021 177.576 177.584 -0.047 0.000 1.075 187 A CA 0.065 52.072 52.037 -0.049 0.000 0.746 187 A CB 1.515 20.460 19.000 -0.092 0.000 1.277 187 A HN 1.016 nan 8.150 nan 0.000 0.425 188 G N -0.527 108.250 108.800 -0.039 0.000 2.513 188 G HA2 0.707 4.667 3.960 -0.000 0.000 0.182 188 G HA3 0.707 4.667 3.960 -0.000 0.000 0.182 188 G C -0.129 174.762 174.900 -0.016 0.000 1.190 188 G CA 0.452 45.527 45.100 -0.041 0.000 0.987 188 G HN 2.386 nan 8.290 nan 0.000 0.479 189 G N -2.160 106.636 108.800 -0.007 0.000 2.320 189 G HA2 0.811 4.771 3.960 -0.000 0.000 0.296 189 G HA3 0.811 4.771 3.960 -0.000 0.000 0.296 189 G C -0.496 174.427 174.900 0.039 0.000 1.306 189 G CA 0.762 45.874 45.100 0.019 0.000 0.836 189 G HN 2.173 nan 8.290 nan 0.000 0.517 190 G N -1.300 107.537 108.800 0.063 0.000 2.677 190 G HA2 0.680 4.640 3.960 -0.000 0.000 0.291 190 G HA3 0.680 4.640 3.960 -0.000 0.000 0.291 190 G C -2.000 172.964 174.900 0.108 0.000 1.435 190 G CA -0.246 44.921 45.100 0.112 0.000 0.826 190 G HN 0.727 nan 8.290 nan 0.000 0.491 191 E N -0.315 119.983 120.200 0.162 0.000 2.321 191 E HA 0.372 4.722 4.350 -0.000 0.000 0.281 191 E C -0.302 176.414 176.600 0.193 0.000 0.910 191 E CA -0.686 55.786 56.400 0.120 0.000 0.770 191 E CB 1.590 31.319 29.700 0.048 0.000 1.225 191 E HN 0.713 nan 8.360 nan 0.000 0.417 192 E N 3.139 123.410 120.200 0.119 0.000 2.349 192 E HA 0.395 4.745 4.350 -0.000 0.000 0.262 192 E C -0.784 175.864 176.600 0.081 0.000 1.088 192 E CA -0.810 55.655 56.400 0.109 0.000 0.899 192 E CB 1.129 30.846 29.700 0.029 0.000 1.044 192 E HN 0.249 nan 8.360 nan 0.000 0.420 193 L N 2.949 124.200 121.223 0.047 0.000 2.342 193 L HA 0.411 4.751 4.340 -0.000 0.000 0.276 193 L C -1.267 175.631 176.870 0.047 0.000 0.997 193 L CA -0.425 54.402 54.840 -0.022 0.000 0.838 193 L CB 0.589 42.491 42.059 -0.262 0.000 1.224 193 L HN 0.911 nan 8.230 nan 0.000 0.416 194 C N 2.049 121.427 119.300 0.130 0.000 3.239 194 C HA 0.481 4.941 4.460 -0.000 0.000 0.317 194 C C 1.143 176.218 174.990 0.141 0.000 1.310 194 C CA -0.966 58.133 59.018 0.134 0.000 1.371 194 C CB 0.858 28.554 27.740 -0.073 0.000 1.714 194 C HN 1.014 nan 8.230 nan 0.000 0.473 195 W N 0.883 122.289 121.300 0.176 0.000 2.425 195 W HA 0.034 4.694 4.660 -0.000 0.000 0.277 195 W C 1.023 177.601 176.519 0.099 0.000 1.231 195 W CA 1.736 59.152 57.345 0.117 0.000 1.248 195 W CB -0.986 28.508 29.460 0.056 0.000 1.117 195 W HN 0.859 nan 8.180 nan 0.000 0.568 196 E N 0.851 120.425 120.200 -1.043 0.000 2.118 196 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 196 E C 2.318 178.744 176.600 -0.290 0.000 0.992 196 E CA 2.594 58.412 56.400 -0.970 0.000 0.804 196 E CB -0.595 28.574 29.700 -0.885 0.000 0.741 196 E HN 0.386 nan 8.360 nan 0.000 0.458 197 M N -0.735 118.794 119.600 -0.119 0.000 2.429 197 M HA 0.147 4.627 4.480 -0.000 0.000 0.265 197 M C 2.055 178.489 176.300 0.224 0.000 1.120 197 M CA 1.062 56.398 55.300 0.059 0.000 1.173 197 M CB 0.169 32.832 32.600 0.104 0.000 1.343 197 M HN 0.144 nan 8.290 nan 0.000 0.464 198 A N 0.468 123.432 122.820 0.241 0.000 1.940 198 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 198 A C 2.315 180.072 177.584 0.290 0.000 1.176 198 A CA 1.772 53.999 52.037 0.318 0.000 0.631 198 A CB -1.705 17.456 19.000 0.268 0.000 0.814 198 A HN 0.873 nan 8.150 nan 0.000 0.446 199 C N -0.630 118.821 119.300 0.251 0.000 2.419 199 C HA -0.054 4.406 4.460 -0.000 0.000 0.281 199 C C 2.160 177.236 174.990 0.143 0.000 1.336 199 C CA 0.992 60.142 59.018 0.219 0.000 1.770 199 C CB -1.528 26.392 27.740 0.300 0.000 1.929 199 C HN 0.656 nan 8.230 nan 0.000 0.509 200 E N 0.517 120.770 120.200 0.089 0.000 2.077 200 E HA -0.119 4.230 4.350 -0.000 0.000 0.193 200 E C 1.765 178.303 176.600 -0.103 0.000 0.989 200 E CA 1.535 57.903 56.400 -0.053 0.000 0.800 200 E CB -0.326 29.263 29.700 -0.186 0.000 0.746 200 E HN 0.782 nan 8.360 nan 0.000 0.452 201 F N 0.920 120.925 119.950 0.092 0.000 2.259 201 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 201 F C 2.182 177.999 175.800 0.029 0.000 1.088 201 F CA 0.927 58.981 58.000 0.090 0.000 1.358 201 F CB -0.066 38.967 39.000 0.054 0.000 1.040 201 F HN -0.037 nan 8.300 nan 0.000 0.505 202 D N 0.178 120.688 120.400 0.182 0.000 2.149 202 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 202 D C 2.269 178.615 176.300 0.076 0.000 0.972 202 D CA 1.167 55.223 54.000 0.094 0.000 0.835 202 D CB -0.197 40.654 40.800 0.085 0.000 0.966 202 D HN 0.139 nan 8.370 nan 0.000 0.476 203 A N 0.461 123.325 122.820 0.074 0.000 2.019 203 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 203 A C 2.240 179.853 177.584 0.049 0.000 1.164 203 A CA 1.465 53.533 52.037 0.052 0.000 0.644 203 A CB -0.683 18.343 19.000 0.043 0.000 0.805 203 A HN 0.407 nan 8.150 nan 0.000 0.449 204 M N -1.305 118.334 119.600 0.065 0.000 2.556 204 M HA 0.240 4.720 4.480 -0.000 0.000 0.245 204 M C 1.148 177.504 176.300 0.093 0.000 1.128 204 M CA 1.120 56.467 55.300 0.079 0.000 1.069 204 M CB 0.157 32.824 32.600 0.111 0.000 1.469 204 M HN 0.623 nan 8.290 nan 0.000 0.494 205 G N 0.201 109.051 108.800 0.084 0.000 2.136 205 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 205 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 205 G C 0.701 175.651 174.900 0.083 0.000 0.989 205 G CA 0.461 45.602 45.100 0.067 0.000 0.682 205 G HN 0.678 nan 8.290 nan 0.000 0.522 206 A N -0.795 122.097 122.820 0.120 0.000 2.072 206 A HA 0.620 4.940 4.320 -0.000 0.000 0.216 206 A C 1.324 178.804 177.584 -0.173 0.000 1.156 206 A CA 0.879 52.993 52.037 0.128 0.000 0.701 206 A CB 0.058 19.301 19.000 0.404 0.000 0.816 206 A HN 0.680 nan 8.150 nan 0.000 0.458 207 L N -0.188 120.900 121.223 -0.225 0.000 2.379 207 L HA 0.344 4.683 4.340 -0.000 0.000 0.269 207 L C 0.751 177.551 176.870 -0.116 0.000 1.084 207 L CA -0.566 54.082 54.840 -0.320 0.000 0.802 207 L CB 1.437 43.339 42.059 -0.263 0.000 1.175 207 L HN 0.150 nan 8.230 nan 0.000 0.448 208 S N -0.025 115.634 115.700 -0.068 0.000 2.549 208 S HA 0.170 4.640 4.470 -0.000 0.000 0.283 208 S C 0.729 175.329 174.600 0.001 0.000 1.320 208 S CA 0.154 58.377 58.200 0.038 0.000 1.058 208 S CB 0.485 63.759 63.200 0.123 0.000 0.882 208 S HN 0.829 nan 8.310 nan 0.000 0.498 209 T N 1.342 115.885 114.554 -0.017 0.000 3.009 209 T HA 0.325 4.675 4.350 -0.000 0.000 0.267 209 T C 0.864 175.471 174.700 -0.154 0.000 0.942 209 T CA -0.429 61.609 62.100 -0.103 0.000 0.883 209 T CB -0.125 68.675 68.868 -0.112 0.000 1.192 209 T HN 0.592 nan 8.240 nan 0.000 0.524 210 K N 0.363 120.629 120.400 -0.224 0.000 2.444 210 K HA 0.213 4.533 4.320 -0.000 0.000 0.193 210 K C -0.303 175.883 176.600 -0.691 0.000 1.024 210 K CA 0.422 56.421 56.287 -0.481 0.000 1.077 210 K CB 0.069 32.159 32.500 -0.684 0.000 0.833 210 K HN 0.502 nan 8.250 nan 0.000 0.517 211 Y N -0.347 119.950 120.300 -0.004 0.000 2.715 211 Y HA 0.205 4.755 4.550 -0.000 0.000 0.255 211 Y C 0.824 176.746 175.900 0.037 0.000 1.139 211 Y CA -0.669 57.442 58.100 0.018 0.000 1.151 211 Y CB 0.122 38.600 38.460 0.029 0.000 1.201 211 Y HN -0.009 nan 8.280 nan 0.000 0.556 212 N N 0.955 119.709 118.700 0.090 0.000 2.289 212 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 212 N C 1.117 176.752 175.510 0.209 0.000 1.016 212 N CA 1.682 54.825 53.050 0.156 0.000 0.872 212 N CB -0.058 38.484 38.487 0.092 0.000 0.973 212 N HN 0.608 nan 8.380 nan 0.000 0.433 213 D N -0.537 119.935 120.400 0.120 0.000 2.348 213 D HA -0.032 4.608 4.640 -0.000 0.000 0.211 213 D C 0.232 176.580 176.300 0.081 0.000 0.998 213 D CA 0.468 54.510 54.000 0.070 0.000 0.873 213 D CB -0.314 40.502 40.800 0.026 0.000 0.925 213 D HN 0.154 nan 8.370 nan 0.000 0.524 214 T N -1.895 112.738 114.554 0.132 0.000 3.542 214 T HA 0.267 4.617 4.350 -0.000 0.000 0.276 214 T C -2.021 172.767 174.700 0.148 0.000 1.412 214 T CA -1.269 60.906 62.100 0.125 0.000 1.664 214 T CB 1.740 70.690 68.868 0.136 0.000 0.863 214 T HN -0.243 nan 8.240 nan 0.000 0.661 215 P HA -0.208 nan 4.420 nan 0.000 0.216 215 P C 1.170 178.534 177.300 0.106 0.000 1.154 215 P CA 1.418 64.613 63.100 0.157 0.000 0.865 215 P CB 0.257 32.074 31.700 0.194 0.000 0.789 216 E N -0.182 120.067 120.200 0.080 0.000 2.463 216 E HA -0.120 4.230 4.350 -0.000 0.000 0.201 216 E C 1.383 177.986 176.600 0.005 0.000 1.045 216 E CA 0.728 57.155 56.400 0.044 0.000 0.872 216 E CB -0.208 29.514 29.700 0.037 0.000 0.797 216 E HN 0.473 nan 8.360 nan 0.000 0.538 217 K N -0.517 119.878 120.400 -0.009 0.000 2.374 217 K HA 0.239 4.559 4.320 -0.000 0.000 0.202 217 K C 1.576 178.004 176.600 -0.288 0.000 1.040 217 K CA 0.176 56.394 56.287 -0.114 0.000 1.085 217 K CB 0.922 33.367 32.500 -0.090 0.000 0.873 217 K HN -0.039 nan 8.250 nan 0.000 0.539 218 A N 1.235 123.979 122.820 -0.128 0.000 1.898 218 A HA -0.042 4.277 4.320 -0.000 0.000 0.216 218 A C 1.367 178.878 177.584 -0.122 0.000 1.181 218 A CA 1.065 53.039 52.037 -0.105 0.000 0.620 218 A CB -0.045 19.031 19.000 0.126 0.000 0.819 218 A HN 0.149 nan 8.150 nan 0.000 0.442 219 S N 0.500 116.165 115.700 -0.058 0.000 2.416 219 S HA 0.431 4.901 4.470 -0.000 0.000 0.287 219 S C 0.163 174.708 174.600 -0.093 0.000 1.139 219 S CA -0.618 57.560 58.200 -0.037 0.000 1.058 219 S CB -0.175 63.028 63.200 0.005 0.000 0.967 219 S HN 0.493 nan 8.310 nan 0.000 0.495 220 R N 2.535 122.971 120.500 -0.107 0.000 2.684 220 R HA 0.234 4.573 4.340 -0.000 0.000 0.252 220 R C -0.720 175.511 176.300 -0.115 0.000 1.628 220 R CA -0.655 55.377 56.100 -0.113 0.000 1.622 220 R CB -0.705 29.503 30.300 -0.153 0.000 1.418 220 R HN 0.375 nan 8.270 nan 0.000 0.697 221 T N 2.234 116.676 114.554 -0.187 0.000 2.866 221 T HA -0.068 4.282 4.350 -0.000 0.000 0.293 221 T C -0.006 174.470 174.700 -0.373 0.000 1.005 221 T CA 0.888 62.742 62.100 -0.410 0.000 1.162 221 T CB -0.084 68.412 68.868 -0.620 0.000 0.968 221 T HN 0.584 nan 8.240 nan 0.000 0.530 222 Y N -1.220 119.084 120.300 0.007 0.000 4.766 222 Y HA -0.225 4.325 4.550 -0.000 0.000 0.289 222 Y C 0.759 176.653 175.900 -0.010 0.000 0.965 222 Y CA 0.524 58.626 58.100 0.003 0.000 1.738 222 Y CB -2.210 36.253 38.460 0.004 0.000 1.062 222 Y HN 0.791 nan 8.280 nan 0.000 0.440 223 D N 0.641 121.088 120.400 0.079 0.000 2.372 223 D HA 0.516 5.156 4.640 -0.000 0.000 0.243 223 D C 1.305 177.594 176.300 -0.018 0.000 1.121 223 D CA 0.821 54.842 54.000 0.035 0.000 0.898 223 D CB 1.212 42.022 40.800 0.018 0.000 1.202 223 D HN 0.292 nan 8.370 nan 0.000 0.428 224 A N 2.891 125.640 122.820 -0.118 0.000 2.125 224 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 224 A C 1.074 178.418 177.584 -0.400 0.000 1.156 224 A CA 1.219 53.092 52.037 -0.274 0.000 0.671 224 A CB -0.523 18.245 19.000 -0.385 0.000 0.794 224 A HN 0.785 nan 8.150 nan 0.000 0.459 225 H N -0.508 118.617 119.070 0.091 0.000 2.486 225 H HA 0.169 4.725 4.556 -0.000 0.000 0.284 225 H C 0.468 175.905 175.328 0.181 0.000 1.103 225 H CA -0.487 55.644 56.048 0.138 0.000 1.089 225 H CB 0.163 30.030 29.762 0.175 0.000 1.603 225 H HN 0.567 nan 8.280 nan 0.000 0.557 226 R N 1.434 122.026 120.500 0.154 0.000 2.694 226 R HA 0.028 4.368 4.340 -0.000 0.000 0.268 226 R C -0.420 175.989 176.300 0.183 0.000 1.061 226 R CA 0.314 56.495 56.100 0.135 0.000 1.133 226 R CB 0.480 30.811 30.300 0.051 0.000 1.020 226 R HN 0.237 nan 8.270 nan 0.000 0.475 227 D N -0.020 120.502 120.400 0.204 0.000 2.712 227 D HA 0.224 4.864 4.640 -0.000 0.000 0.300 227 D C 0.083 176.458 176.300 0.125 0.000 1.521 227 D CA 0.019 54.117 54.000 0.165 0.000 0.790 227 D CB 0.556 41.459 40.800 0.171 0.000 1.155 227 D HN 0.886 nan 8.370 nan 0.000 0.456 228 G N 0.402 109.279 108.800 0.128 0.000 2.334 228 G HA2 0.268 4.228 3.960 -0.000 0.000 0.566 228 G HA3 0.268 4.228 3.960 -0.000 0.000 0.566 228 G C -0.629 174.357 174.900 0.143 0.000 1.413 228 G CA -0.712 44.458 45.100 0.118 0.000 0.993 228 G HN 0.265 nan 8.290 nan 0.000 0.642 229 F N -0.459 119.546 119.950 0.091 0.000 2.375 229 F HA 0.805 5.332 4.527 -0.000 0.000 0.313 229 F C 0.226 176.063 175.800 0.061 0.000 1.176 229 F CA -1.309 56.730 58.000 0.065 0.000 1.142 229 F CB 1.106 40.165 39.000 0.098 0.000 1.275 229 F HN 0.376 nan 8.300 nan 0.000 0.544 230 V N 3.836 123.943 119.914 0.321 0.000 2.357 230 V HA 0.271 4.391 4.120 -0.000 0.000 0.284 230 V C 0.134 176.416 176.094 0.313 0.000 1.018 230 V CA -0.887 61.531 62.300 0.195 0.000 0.841 230 V CB 1.187 33.104 31.823 0.157 0.000 0.991 230 V HN 0.842 nan 8.190 nan 0.000 0.437 231 I N 4.687 125.391 120.570 0.223 0.000 2.692 231 I HA 0.514 4.684 4.170 -0.000 0.000 0.284 231 I C 0.520 176.731 176.117 0.156 0.000 1.159 231 I CA 0.568 61.994 61.300 0.211 0.000 1.423 231 I CB 0.891 38.961 38.000 0.116 0.000 1.380 231 I HN 0.810 nan 8.210 nan 0.000 0.580 232 A N 4.729 127.584 122.820 0.058 0.000 2.552 232 A HA 0.937 5.257 4.320 -0.000 0.000 0.288 232 A C -0.605 176.937 177.584 -0.070 0.000 1.193 232 A CA -0.079 51.950 52.037 -0.014 0.000 0.713 232 A CB 1.323 20.326 19.000 0.005 0.000 1.305 232 A HN 0.838 nan 8.150 nan 0.000 0.424 233 G N -2.348 106.374 108.800 -0.130 0.000 2.727 233 G HA2 0.907 4.867 3.960 -0.000 0.000 0.289 233 G HA3 0.907 4.867 3.960 -0.000 0.000 0.289 233 G C -0.106 174.655 174.900 -0.232 0.000 1.418 233 G CA -0.080 44.951 45.100 -0.115 0.000 0.818 233 G HN 2.378 nan 8.290 nan 0.000 0.486 234 G N -2.118 106.521 108.800 -0.268 0.000 2.302 234 G HA2 0.630 4.590 3.960 -0.000 0.000 0.276 234 G HA3 0.630 4.590 3.960 -0.000 0.000 0.276 234 G C -0.243 174.584 174.900 -0.121 0.000 1.316 234 G CA 0.320 45.112 45.100 -0.513 0.000 0.988 234 G HN 2.130 nan 8.290 nan 0.000 0.479 235 G N -1.849 106.893 108.800 -0.097 0.000 2.660 235 G HA2 1.002 4.962 3.960 -0.000 0.000 0.290 235 G HA3 1.002 4.962 3.960 -0.000 0.000 0.290 235 G C -0.365 174.515 174.900 -0.033 0.000 1.432 235 G CA 0.475 45.585 45.100 0.018 0.000 0.807 235 G HN 2.138 nan 8.290 nan 0.000 0.485 236 G N -1.359 107.422 108.800 -0.033 0.000 2.673 236 G HA2 0.689 4.649 3.960 -0.000 0.000 0.292 236 G HA3 0.689 4.649 3.960 -0.000 0.000 0.292 236 G C -1.717 173.145 174.900 -0.063 0.000 1.450 236 G CA -0.609 44.449 45.100 -0.070 0.000 0.837 236 G HN 0.984 nan 8.290 nan 0.000 0.505 237 M N 0.830 120.384 119.600 -0.076 0.000 2.365 237 M HA 0.607 5.087 4.480 -0.000 0.000 0.288 237 M C -1.033 175.222 176.300 -0.075 0.000 1.152 237 M CA -0.622 54.637 55.300 -0.068 0.000 0.948 237 M CB 2.241 34.796 32.600 -0.075 0.000 1.729 237 M HN 1.175 nan 8.290 nan 0.000 0.487 238 V N 1.661 121.532 119.914 -0.072 0.000 2.864 238 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 238 V C -1.152 174.893 176.094 -0.081 0.000 1.073 238 V CA -0.899 61.347 62.300 -0.089 0.000 0.956 238 V CB 1.911 33.660 31.823 -0.124 0.000 1.023 238 V HN 0.603 nan 8.190 nan 0.000 0.435 239 V N 3.572 123.424 119.914 -0.103 0.000 2.318 239 V HA 0.363 4.483 4.120 -0.000 0.000 0.271 239 V C 0.098 176.070 176.094 -0.203 0.000 1.030 239 V CA -0.355 61.813 62.300 -0.220 0.000 0.844 239 V CB 1.133 32.839 31.823 -0.195 0.000 1.015 239 V HN 0.739 nan 8.190 nan 0.000 0.460 240 V N 5.187 124.952 119.914 -0.249 0.000 2.432 240 V HA 0.486 4.606 4.120 -0.000 0.000 0.275 240 V C 0.070 176.029 176.094 -0.224 0.000 1.043 240 V CA -0.240 61.944 62.300 -0.193 0.000 0.925 240 V CB 1.332 33.049 31.823 -0.177 0.000 0.985 240 V HN 0.973 nan 8.190 nan 0.000 0.466 241 E N 2.771 122.874 120.200 -0.162 0.000 2.356 241 E HA 0.337 4.687 4.350 -0.000 0.000 0.275 241 E C -0.882 175.658 176.600 -0.100 0.000 0.904 241 E CA -0.736 55.567 56.400 -0.162 0.000 0.757 241 E CB 1.908 31.532 29.700 -0.127 0.000 1.232 241 E HN 0.685 nan 8.360 nan 0.000 0.442 242 E N 3.350 123.488 120.200 -0.103 0.000 2.392 242 E HA -0.019 4.331 4.350 -0.000 0.000 0.264 242 E C 0.735 177.341 176.600 0.010 0.000 1.024 242 E CA -0.069 56.306 56.400 -0.042 0.000 0.903 242 E CB 1.188 30.864 29.700 -0.039 0.000 0.963 242 E HN 0.630 nan 8.360 nan 0.000 0.432 243 L N 5.141 126.366 121.223 0.004 0.000 1.989 243 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 243 L C 1.958 178.841 176.870 0.022 0.000 1.071 243 L CA 1.905 56.749 54.840 0.007 0.000 0.749 243 L CB -0.339 41.717 42.059 -0.004 0.000 0.890 243 L HN 0.537 nan 8.230 nan 0.000 0.431 244 E N -1.013 119.206 120.200 0.031 0.000 2.051 244 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 244 E C 2.232 178.854 176.600 0.036 0.000 0.991 244 E CA 1.391 57.806 56.400 0.025 0.000 0.799 244 E CB -0.759 28.954 29.700 0.023 0.000 0.748 244 E HN 0.647 nan 8.360 nan 0.000 0.449 245 H N 0.654 119.708 119.070 -0.026 0.000 2.352 245 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 245 H C 1.803 177.113 175.328 -0.029 0.000 1.097 245 H CA 1.865 57.898 56.048 -0.026 0.000 1.311 245 H CB 0.145 29.887 29.762 -0.032 0.000 1.377 245 H HN 0.129 nan 8.280 nan 0.000 0.504 246 A N 0.986 123.881 122.820 0.126 0.000 1.898 246 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 246 A C 2.917 180.496 177.584 -0.007 0.000 1.181 246 A CA 1.090 53.164 52.037 0.061 0.000 0.620 246 A CB -0.784 18.235 19.000 0.032 0.000 0.819 246 A HN 0.405 nan 8.150 nan 0.000 0.442 247 L N -0.729 120.484 121.223 -0.016 0.000 2.056 247 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 247 L C 3.052 179.895 176.870 -0.044 0.000 1.078 247 L CA 1.008 55.831 54.840 -0.029 0.000 0.749 247 L CB -0.527 41.518 42.059 -0.024 0.000 0.901 247 L HN 0.428 nan 8.230 nan 0.000 0.433 248 A N 0.938 123.719 122.820 -0.065 0.000 2.019 248 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 248 A C 2.220 179.747 177.584 -0.094 0.000 1.164 248 A CA 1.720 53.705 52.037 -0.087 0.000 0.644 248 A CB -0.508 18.418 19.000 -0.123 0.000 0.805 248 A HN 0.597 nan 8.150 nan 0.000 0.449 249 R N -1.740 118.699 120.500 -0.101 0.000 2.362 249 R HA 0.371 4.711 4.340 -0.000 0.000 0.227 249 R C 0.962 177.241 176.300 -0.035 0.000 0.905 249 R CA 0.609 56.664 56.100 -0.075 0.000 1.067 249 R CB -0.497 29.750 30.300 -0.088 0.000 1.078 249 R HN 0.718 nan 8.270 nan 0.000 0.516 250 G N 0.927 109.709 108.800 -0.031 0.000 2.225 250 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 250 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 250 G C 0.269 175.168 174.900 -0.002 0.000 1.060 250 G CA 0.115 45.205 45.100 -0.016 0.000 0.833 250 G HN 0.696 nan 8.290 nan 0.000 0.498 251 A N -0.389 122.429 122.820 -0.003 0.000 2.366 251 A HA 0.599 4.919 4.320 -0.000 0.000 0.249 251 A C 0.366 177.953 177.584 0.004 0.000 1.084 251 A CA 0.422 52.466 52.037 0.012 0.000 0.794 251 A CB 0.322 19.328 19.000 0.011 0.000 1.034 251 A HN 1.500 nan 8.150 nan 0.000 0.491 252 H N 0.622 119.643 119.070 -0.081 0.000 2.604 252 H HA 0.541 5.097 4.556 -0.000 0.000 0.306 252 H C -0.792 174.424 175.328 -0.187 0.000 1.075 252 H CA -0.390 55.563 56.048 -0.158 0.000 1.357 252 H CB 0.196 29.824 29.762 -0.224 0.000 1.426 252 H HN 0.425 nan 8.280 nan 0.000 0.470 253 I N 7.072 127.224 120.570 -0.697 0.000 2.312 253 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 253 I C 0.067 175.808 176.117 -0.627 0.000 1.008 253 I CA -0.353 60.658 61.300 -0.482 0.000 1.226 253 I CB 0.793 38.654 38.000 -0.231 0.000 1.371 253 I HN 0.773 nan 8.210 nan 0.000 0.468 254 Y N 5.189 125.284 120.300 -0.341 0.000 2.220 254 Y HA 0.204 4.754 4.550 -0.000 0.000 0.291 254 Y C 1.268 177.092 175.900 -0.126 0.000 1.129 254 Y CA 0.961 58.947 58.100 -0.191 0.000 1.161 254 Y CB 0.127 38.551 38.460 -0.060 0.000 0.997 254 Y HN 0.669 nan 8.280 nan 0.000 0.522 255 A N -0.871 121.984 122.820 0.059 0.000 2.544 255 A HA 0.412 4.731 4.320 -0.000 0.000 0.291 255 A C -1.512 176.071 177.584 -0.002 0.000 1.055 255 A CA -0.852 51.195 52.037 0.017 0.000 0.651 255 A CB 0.735 19.756 19.000 0.035 0.000 1.296 255 A HN 0.051 nan 8.150 nan 0.000 0.431 256 E N 0.375 120.571 120.200 -0.007 0.000 2.191 256 E HA 0.617 4.967 4.350 -0.000 0.000 0.274 256 E C -1.197 175.401 176.600 -0.004 0.000 0.948 256 E CA -0.609 55.784 56.400 -0.011 0.000 0.802 256 E CB 0.980 30.674 29.700 -0.010 0.000 1.137 256 E HN 0.491 nan 8.360 nan 0.000 0.397 257 I N 5.663 126.228 120.570 -0.009 0.000 2.291 257 I HA 0.039 4.209 4.170 -0.000 0.000 0.292 257 I C 1.117 177.245 176.117 0.017 0.000 1.064 257 I CA -0.284 61.015 61.300 -0.002 0.000 1.269 257 I CB 0.968 38.954 38.000 -0.024 0.000 1.418 257 I HN 0.492 nan 8.210 nan 0.000 0.485 258 V N 2.694 122.625 119.914 0.029 0.000 3.590 258 V HA 0.496 4.616 4.120 -0.000 0.000 0.265 258 V C 0.727 176.858 176.094 0.062 0.000 1.239 258 V CA 0.254 62.577 62.300 0.038 0.000 1.117 258 V CB -0.065 31.776 31.823 0.029 0.000 0.818 258 V HN 0.710 nan 8.190 nan 0.000 0.451 259 G N -0.570 108.279 108.800 0.081 0.000 2.759 259 G HA2 0.548 4.508 3.960 -0.000 0.000 0.297 259 G HA3 0.548 4.508 3.960 -0.000 0.000 0.297 259 G C -2.336 172.673 174.900 0.180 0.000 1.434 259 G CA -0.580 44.588 45.100 0.114 0.000 0.980 259 G HN 0.355 nan 8.290 nan 0.000 0.531 260 Y N 1.002 121.321 120.300 0.031 0.000 2.362 260 Y HA 0.685 5.235 4.550 -0.000 0.000 0.326 260 Y C -0.223 175.702 175.900 0.041 0.000 1.083 260 Y CA -1.077 57.039 58.100 0.028 0.000 1.073 260 Y CB 1.839 40.315 38.460 0.026 0.000 1.211 260 Y HN 0.878 nan 8.280 nan 0.000 0.433 261 G N 3.026 111.692 108.800 -0.224 0.000 2.495 261 G HA2 0.761 4.721 3.960 -0.000 0.000 0.318 261 G HA3 0.761 4.721 3.960 -0.000 0.000 0.318 261 G C -1.761 172.905 174.900 -0.391 0.000 1.257 261 G CA -0.642 44.273 45.100 -0.310 0.000 0.962 261 G HN 1.159 nan 8.290 nan 0.000 0.483 262 A N 1.521 124.140 122.820 -0.335 0.000 2.446 262 A HA 0.846 5.166 4.320 -0.000 0.000 0.282 262 A C 0.021 177.587 177.584 -0.030 0.000 1.102 262 A CA -0.069 51.914 52.037 -0.088 0.000 0.737 262 A CB 1.178 20.124 19.000 -0.089 0.000 1.212 262 A HN 1.521 nan 8.150 nan 0.000 0.434 263 T N -1.429 113.150 114.554 0.040 0.000 2.742 263 T HA 0.874 5.223 4.350 -0.000 0.000 0.282 263 T C -0.225 174.495 174.700 0.033 0.000 1.025 263 T CA -0.518 61.587 62.100 0.008 0.000 1.020 263 T CB 1.768 70.624 68.868 -0.020 0.000 1.317 263 T HN 1.327 nan 8.240 nan 0.000 0.538 264 S N -1.095 114.606 115.700 0.003 0.000 2.540 264 S HA 0.458 4.928 4.470 -0.000 0.000 0.275 264 S C -0.301 174.289 174.600 -0.017 0.000 1.123 264 S CA -0.611 57.593 58.200 0.007 0.000 0.907 264 S CB 1.675 64.877 63.200 0.003 0.000 1.081 264 S HN 0.700 nan 8.310 nan 0.000 0.476 265 D N 2.580 122.970 120.400 -0.018 0.000 2.137 265 D HA 0.156 4.796 4.640 -0.000 0.000 0.202 265 D C 1.472 177.757 176.300 -0.026 0.000 0.970 265 D CA 1.508 55.487 54.000 -0.035 0.000 0.837 265 D CB -0.518 40.259 40.800 -0.039 0.000 0.981 265 D HN 1.059 nan 8.370 nan 0.000 0.475 266 G N 0.178 108.970 108.800 -0.014 0.000 2.273 266 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.280 266 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.280 266 G C 0.648 175.539 174.900 -0.015 0.000 1.047 266 G CA 0.926 46.019 45.100 -0.012 0.000 0.869 266 G HN 0.624 nan 8.290 nan 0.000 0.502 267 A N -1.178 121.633 122.820 -0.016 0.000 1.780 267 A HA 0.619 4.939 4.320 -0.000 0.000 0.178 267 A C 0.566 178.139 177.584 -0.019 0.000 2.054 267 A CA 0.957 52.983 52.037 -0.019 0.000 1.289 267 A CB 0.427 19.411 19.000 -0.025 0.000 0.942 267 A HN 0.429 nan 8.150 nan 0.000 0.659 268 D N -0.812 119.575 120.400 -0.023 0.000 2.198 268 D HA 0.440 5.079 4.640 -0.000 0.000 0.247 268 D C 0.406 176.685 176.300 -0.036 0.000 1.010 268 D CA -0.465 53.516 54.000 -0.031 0.000 0.880 268 D CB 1.974 42.751 40.800 -0.038 0.000 1.209 268 D HN 0.135 nan 8.370 nan 0.000 0.451 269 M N 2.763 122.335 119.600 -0.047 0.000 2.319 269 M HA -0.034 4.446 4.480 -0.000 0.000 0.265 269 M C 0.940 177.157 176.300 -0.138 0.000 1.068 269 M CA 1.415 56.685 55.300 -0.050 0.000 1.118 269 M CB 0.266 32.843 32.600 -0.039 0.000 1.395 269 M HN 0.330 nan 8.290 nan 0.000 0.435 270 V N -1.411 118.367 119.914 -0.226 0.000 3.480 270 V HA 0.458 4.578 4.120 -0.000 0.000 0.263 270 V C 0.386 176.260 176.094 -0.366 0.000 1.442 270 V CA 0.359 62.346 62.300 -0.522 0.000 1.053 270 V CB 0.476 32.004 31.823 -0.492 0.000 0.846 270 V HN 0.313 nan 8.190 nan 0.000 0.440 271 A N 2.112 124.843 122.820 -0.149 0.000 2.324 271 A HA 0.815 5.135 4.320 -0.000 0.000 0.330 271 A C -2.714 174.860 177.584 -0.016 0.000 1.165 271 A CA -1.609 50.399 52.037 -0.048 0.000 0.813 271 A CB 0.736 19.722 19.000 -0.024 0.000 1.197 271 A HN 0.150 nan 8.150 nan 0.000 0.484 272 P HA 0.146 nan 4.420 nan 0.000 0.278 272 P C 0.571 177.845 177.300 -0.044 0.000 1.238 272 P CA -0.095 62.993 63.100 -0.021 0.000 0.794 272 P CB 1.489 33.178 31.700 -0.019 0.000 0.955 273 S N 0.817 116.473 115.700 -0.074 0.000 2.478 273 S HA 0.175 4.645 4.470 -0.000 0.000 0.222 273 S C 1.624 176.176 174.600 -0.081 0.000 1.008 273 S CA 0.805 58.966 58.200 -0.064 0.000 0.928 273 S CB -0.920 62.243 63.200 -0.060 0.000 0.781 273 S HN 0.739 nan 8.310 nan 0.000 0.518 274 G N 1.829 110.548 108.800 -0.135 0.000 2.417 274 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.233 274 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.233 274 G C 0.932 175.746 174.900 -0.143 0.000 1.103 274 G CA 0.563 45.578 45.100 -0.142 0.000 0.647 274 G HN 0.476 nan 8.290 nan 0.000 0.512 275 E N 1.655 121.790 120.200 -0.109 0.000 2.072 275 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 275 E C 2.648 179.182 176.600 -0.111 0.000 0.985 275 E CA 2.081 58.426 56.400 -0.091 0.000 0.801 275 E CB -0.915 28.745 29.700 -0.066 0.000 0.750 275 E HN 0.623 nan 8.360 nan 0.000 0.452 276 G N 0.638 109.357 108.800 -0.134 0.000 2.422 276 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 276 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 276 G C 1.695 176.485 174.900 -0.184 0.000 1.140 276 G CA 1.059 46.079 45.100 -0.133 0.000 0.775 276 G HN 0.409 nan 8.290 nan 0.000 0.545 277 A N 0.152 122.774 122.820 -0.329 0.000 1.930 277 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 277 A C 2.575 180.070 177.584 -0.148 0.000 1.175 277 A CA 1.570 53.343 52.037 -0.441 0.000 0.627 277 A CB -0.482 17.998 19.000 -0.866 0.000 0.815 277 A HN 0.218 nan 8.150 nan 0.000 0.443 278 V N 0.118 119.955 119.914 -0.127 0.000 2.261 278 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 278 V C 2.641 178.693 176.094 -0.070 0.000 1.047 278 V CA 2.295 64.546 62.300 -0.082 0.000 1.015 278 V CB -0.795 30.981 31.823 -0.079 0.000 0.642 278 V HN 0.528 nan 8.190 nan 0.000 0.446 279 R N -1.074 119.384 120.500 -0.071 0.000 2.096 279 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 279 R C 2.396 178.670 176.300 -0.043 0.000 1.127 279 R CA 1.725 57.790 56.100 -0.058 0.000 0.968 279 R CB -0.880 29.384 30.300 -0.060 0.000 0.861 279 R HN 0.567 nan 8.270 nan 0.000 0.440 280 C N 0.629 119.913 119.300 -0.026 0.000 2.446 280 C HA -0.046 4.414 4.460 -0.000 0.000 0.277 280 C C 2.594 177.606 174.990 0.036 0.000 1.275 280 C CA 0.791 59.819 59.018 0.017 0.000 1.727 280 C CB -0.626 27.173 27.740 0.099 0.000 2.010 280 C HN 0.456 nan 8.230 nan 0.000 0.486 281 M N 0.006 119.635 119.600 0.049 0.000 2.175 281 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 281 M C 2.256 178.547 176.300 -0.016 0.000 1.063 281 M CA 1.630 56.956 55.300 0.043 0.000 1.119 281 M CB -0.451 32.178 32.600 0.047 0.000 1.377 281 M HN 0.353 nan 8.290 nan 0.000 0.415 282 K N 0.144 120.516 120.400 -0.046 0.000 2.097 282 K HA -0.118 4.201 4.320 -0.000 0.000 0.205 282 K C 1.992 178.601 176.600 0.015 0.000 1.050 282 K CA 1.271 57.533 56.287 -0.042 0.000 0.938 282 K CB -0.187 32.283 32.500 -0.051 0.000 0.718 282 K HN 0.346 nan 8.250 nan 0.000 0.442 283 M N 0.369 119.967 119.600 -0.004 0.000 2.175 283 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 283 M C 1.995 178.316 176.300 0.035 0.000 1.063 283 M CA 1.524 56.818 55.300 -0.010 0.000 1.119 283 M CB -0.006 32.553 32.600 -0.068 0.000 1.377 283 M HN 0.144 nan 8.290 nan 0.000 0.415 284 A N -0.124 122.715 122.820 0.032 0.000 2.067 284 A HA -0.039 4.280 4.320 -0.000 0.000 0.217 284 A C 1.884 179.514 177.584 0.077 0.000 1.156 284 A CA 0.991 53.064 52.037 0.060 0.000 0.683 284 A CB -0.493 18.547 19.000 0.066 0.000 0.808 284 A HN 0.609 nan 8.150 nan 0.000 0.455 285 M N -0.697 118.942 119.600 0.065 0.000 2.495 285 M HA 0.053 4.533 4.480 -0.000 0.000 0.237 285 M C 0.399 176.721 176.300 0.037 0.000 1.131 285 M CA 0.061 55.390 55.300 0.048 0.000 1.032 285 M CB 0.001 32.609 32.600 0.014 0.000 1.513 285 M HN 0.402 nan 8.290 nan 0.000 0.488 286 H N 0.578 119.645 119.070 -0.006 0.000 3.091 286 H HA 0.033 4.589 4.556 -0.000 0.000 0.289 286 H C 1.007 176.337 175.328 0.003 0.000 0.995 286 H CA 1.748 57.791 56.048 -0.008 0.000 1.461 286 H CB 0.443 30.197 29.762 -0.013 0.000 1.510 286 H HN 0.613 nan 8.280 nan 0.000 0.546 287 G N 4.056 112.623 108.800 -0.389 0.000 2.162 287 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 287 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 287 G C 0.161 175.015 174.900 -0.077 0.000 0.976 287 G CA 0.304 45.285 45.100 -0.198 0.000 0.655 287 G HN 0.576 nan 8.290 nan 0.000 0.533 288 V N 2.832 122.715 119.914 -0.052 0.000 2.353 288 V HA 0.277 4.397 4.120 -0.000 0.000 0.264 288 V C 1.319 177.403 176.094 -0.017 0.000 1.049 288 V CA 0.157 62.450 62.300 -0.011 0.000 0.896 288 V CB 1.292 33.127 31.823 0.020 0.000 1.025 288 V HN 0.481 nan 8.190 nan 0.000 0.475 289 D N 2.725 123.116 120.400 -0.016 0.000 2.347 289 D HA -0.058 4.582 4.640 -0.000 0.000 0.215 289 D C 0.867 177.168 176.300 0.002 0.000 0.976 289 D CA 0.372 54.363 54.000 -0.014 0.000 0.884 289 D CB 0.064 40.854 40.800 -0.016 0.000 0.915 289 D HN 0.587 nan 8.370 nan 0.000 0.526 290 T N -0.834 113.727 114.554 0.012 0.000 2.929 290 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 290 T C -2.416 172.306 174.700 0.037 0.000 1.014 290 T CA -1.691 60.421 62.100 0.020 0.000 1.051 290 T CB 2.040 70.919 68.868 0.019 0.000 1.028 290 T HN -0.133 nan 8.240 nan 0.000 0.485 291 P HA 0.310 nan 4.420 nan 0.000 0.274 291 P C -0.534 176.799 177.300 0.055 0.000 1.237 291 P CA -0.676 62.460 63.100 0.060 0.000 0.793 291 P CB 0.566 32.292 31.700 0.043 0.000 0.977 292 I N 2.806 123.419 120.570 0.071 0.000 2.337 292 I HA 0.035 4.205 4.170 -0.000 0.000 0.291 292 I C 1.313 177.407 176.117 -0.037 0.000 1.046 292 I CA 0.261 61.576 61.300 0.026 0.000 1.324 292 I CB 0.200 38.222 38.000 0.037 0.000 1.409 292 I HN 0.318 nan 8.210 nan 0.000 0.494 293 D N 5.108 125.508 120.400 0.001 0.000 2.213 293 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 293 D C 0.057 176.393 176.300 0.059 0.000 0.961 293 D CA 1.369 55.379 54.000 0.016 0.000 0.853 293 D CB 0.427 41.248 40.800 0.036 0.000 0.967 293 D HN 0.516 nan 8.370 nan 0.000 0.496 294 Y N 0.176 120.422 120.300 -0.091 0.000 2.513 294 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 294 Y C -2.032 173.814 175.900 -0.089 0.000 1.055 294 Y CA -1.147 56.895 58.100 -0.097 0.000 1.020 294 Y CB 1.446 39.854 38.460 -0.087 0.000 1.301 294 Y HN -0.236 nan 8.280 nan 0.000 0.453 295 L N 6.921 127.556 121.223 -0.980 0.000 2.372 295 L HA 0.474 4.814 4.340 -0.000 0.000 0.274 295 L C -1.092 175.187 176.870 -0.985 0.000 0.988 295 L CA -0.521 53.859 54.840 -0.765 0.000 0.833 295 L CB 0.942 42.761 42.059 -0.400 0.000 1.236 295 L HN 0.801 nan 8.230 nan 0.000 0.410 296 N N 3.668 121.931 118.700 -0.728 0.000 2.482 296 N HA 0.092 4.832 4.740 -0.000 0.000 0.242 296 N C -0.279 175.128 175.510 -0.172 0.000 1.100 296 N CA -0.179 52.671 53.050 -0.333 0.000 0.946 296 N CB 0.905 39.359 38.487 -0.055 0.000 1.227 296 N HN 0.717 nan 8.380 nan 0.000 0.508 297 S N 2.629 118.269 115.700 -0.100 0.000 2.600 297 S HA -0.012 4.458 4.470 -0.000 0.000 0.265 297 S C 1.325 175.894 174.600 -0.053 0.000 1.325 297 S CA -0.216 57.968 58.200 -0.025 0.000 1.002 297 S CB 1.208 64.474 63.200 0.111 0.000 0.921 297 S HN 0.719 nan 8.310 nan 0.000 0.554 298 H N 2.251 121.213 119.070 -0.180 0.000 2.326 298 H HA 0.137 4.693 4.556 -0.000 0.000 0.301 298 H C 1.567 176.784 175.328 -0.186 0.000 1.081 298 H CA 1.388 57.284 56.048 -0.254 0.000 1.334 298 H CB -1.103 28.465 29.762 -0.324 0.000 1.385 298 H HN 1.073 nan 8.280 nan 0.000 0.504 299 G N 0.813 109.518 108.800 -0.158 0.000 2.394 299 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 299 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 299 G C 1.007 175.669 174.900 -0.395 0.000 0.282 299 G CA 0.981 45.923 45.100 -0.264 0.000 1.090 299 G HN 0.775 nan 8.290 nan 0.000 0.486 300 T N -1.198 113.120 114.554 -0.394 0.000 3.100 300 T HA 0.346 4.696 4.350 -0.000 0.000 0.253 300 T C 1.405 176.057 174.700 -0.080 0.000 1.118 300 T CA 1.042 62.941 62.100 -0.334 0.000 1.058 300 T CB 0.274 68.932 68.868 -0.349 0.000 0.953 300 T HN 1.910 nan 8.240 nan 0.000 0.515 301 S N 0.723 116.359 115.700 -0.106 0.000 3.672 301 S HA -0.138 4.332 4.470 -0.000 0.000 0.294 301 S C 0.227 174.861 174.600 0.057 0.000 1.200 301 S CA 0.608 58.776 58.200 -0.052 0.000 0.837 301 S CB -2.216 60.967 63.200 -0.029 0.000 0.972 301 S HN 1.252 nan 8.310 nan 0.000 0.583 302 T N -1.146 113.463 114.554 0.092 0.000 2.895 302 T HA 0.691 5.041 4.350 -0.000 0.000 0.283 302 T C -1.390 173.376 174.700 0.109 0.000 1.014 302 T CA -1.516 60.671 62.100 0.145 0.000 1.037 302 T CB 1.602 70.606 68.868 0.226 0.000 1.006 302 T HN -0.048 nan 8.240 nan 0.000 0.468 303 P HA -0.142 nan 4.420 nan 0.000 0.213 303 P C 1.702 179.056 177.300 0.091 0.000 1.176 303 P CA 0.746 63.900 63.100 0.089 0.000 0.919 303 P CB -0.066 31.684 31.700 0.084 0.000 0.791 304 V N -0.490 119.481 119.914 0.096 0.000 2.323 304 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 304 V C 2.575 178.734 176.094 0.109 0.000 1.041 304 V CA 2.456 64.810 62.300 0.090 0.000 1.025 304 V CB -1.896 29.972 31.823 0.076 0.000 0.656 304 V HN 0.194 nan 8.190 nan 0.000 0.451 305 G N -0.128 108.755 108.800 0.139 0.000 2.446 305 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.217 305 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.217 305 G C 1.199 176.206 174.900 0.178 0.000 1.168 305 G CA 1.195 46.400 45.100 0.174 0.000 0.771 305 G HN 0.497 nan 8.290 nan 0.000 0.551 306 D N -0.012 120.475 120.400 0.144 0.000 2.158 306 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 306 D C 2.684 179.137 176.300 0.254 0.000 0.995 306 D CA 0.756 54.858 54.000 0.169 0.000 0.846 306 D CB -0.386 40.465 40.800 0.084 0.000 0.941 306 D HN 0.228 nan 8.370 nan 0.000 0.456 307 V N 0.989 121.010 119.914 0.178 0.000 2.323 307 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 307 V C 2.311 178.472 176.094 0.112 0.000 1.041 307 V CA 1.340 63.722 62.300 0.138 0.000 1.025 307 V CB -0.245 31.637 31.823 0.098 0.000 0.656 307 V HN 0.185 nan 8.190 nan 0.000 0.451 308 K N 0.084 120.543 120.400 0.100 0.000 2.063 308 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 308 K C 2.114 178.757 176.600 0.072 0.000 1.048 308 K CA 1.894 58.218 56.287 0.062 0.000 0.928 308 K CB -0.271 32.252 32.500 0.039 0.000 0.713 308 K HN 0.610 nan 8.250 nan 0.000 0.442 309 E N 1.293 121.580 120.200 0.145 0.000 2.072 309 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 309 E C 2.139 178.847 176.600 0.179 0.000 0.985 309 E CA 0.584 57.110 56.400 0.209 0.000 0.801 309 E CB 0.014 29.933 29.700 0.365 0.000 0.750 309 E HN 0.202 nan 8.360 nan 0.000 0.452 310 L N 0.350 121.670 121.223 0.162 0.000 2.131 310 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 310 L C 2.624 179.534 176.870 0.068 0.000 1.092 310 L CA 0.940 55.836 54.840 0.093 0.000 0.759 310 L CB -0.399 41.690 42.059 0.050 0.000 0.903 310 L HN 0.245 nan 8.230 nan 0.000 0.435 311 A N -0.046 122.812 122.820 0.063 0.000 1.898 311 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 311 A C 2.522 180.128 177.584 0.037 0.000 1.181 311 A CA 1.548 53.608 52.037 0.040 0.000 0.620 311 A CB -0.611 18.406 19.000 0.027 0.000 0.819 311 A HN 0.385 nan 8.150 nan 0.000 0.442 312 A N -0.073 122.770 122.820 0.038 0.000 1.933 312 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 312 A C 2.098 179.721 177.584 0.066 0.000 1.175 312 A CA 1.477 53.527 52.037 0.022 0.000 0.628 312 A CB -0.596 18.397 19.000 -0.011 0.000 0.814 312 A HN 0.498 nan 8.150 nan 0.000 0.444 313 I N -0.869 119.781 120.570 0.135 0.000 2.226 313 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 313 I C 2.784 179.044 176.117 0.238 0.000 1.100 313 I CA 1.340 62.789 61.300 0.249 0.000 1.374 313 I CB -0.334 37.798 38.000 0.219 0.000 1.057 313 I HN 0.299 nan 8.210 nan 0.000 0.413 314 R N 0.364 120.940 120.500 0.127 0.000 2.083 314 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 314 R C 2.262 178.599 176.300 0.061 0.000 1.137 314 R CA 1.211 57.367 56.100 0.093 0.000 0.951 314 R CB -0.344 29.985 30.300 0.049 0.000 0.851 314 R HN 0.354 nan 8.270 nan 0.000 0.434 315 E N 0.385 120.600 120.200 0.026 0.000 2.085 315 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 315 E C 2.111 178.673 176.600 -0.064 0.000 0.994 315 E CA 1.309 57.699 56.400 -0.016 0.000 0.801 315 E CB -0.032 29.652 29.700 -0.027 0.000 0.743 315 E HN 0.140 nan 8.360 nan 0.000 0.453 316 V N -0.157 119.686 119.914 -0.120 0.000 2.379 316 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 316 V C 1.900 177.724 176.094 -0.450 0.000 1.044 316 V CA 1.515 63.607 62.300 -0.346 0.000 1.036 316 V CB -0.428 31.049 31.823 -0.577 0.000 0.664 316 V HN 0.141 nan 8.190 nan 0.000 0.453 317 F N -0.323 119.627 119.950 0.000 0.000 2.717 317 F HA 0.476 5.003 4.527 -0.000 0.000 0.295 317 F C 1.953 177.751 175.800 -0.004 0.000 1.117 317 F CA 0.659 58.657 58.000 -0.003 0.000 1.361 317 F CB -0.292 38.705 39.000 -0.005 0.000 1.112 317 F HN 0.257 nan 8.300 nan 0.000 0.594 318 G N 1.121 110.001 108.800 0.134 0.000 2.686 318 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.329 318 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.329 318 G C 0.857 175.809 174.900 0.086 0.000 1.187 318 G CA 0.986 46.134 45.100 0.080 0.000 0.965 318 G HN 0.291 nan 8.290 nan 0.000 0.549 319 D N 0.970 121.412 120.400 0.071 0.000 2.360 319 D HA 0.084 4.724 4.640 -0.000 0.000 0.210 319 D C 1.446 177.779 176.300 0.054 0.000 1.047 319 D CA 0.330 54.360 54.000 0.050 0.000 0.854 319 D CB 0.266 41.085 40.800 0.032 0.000 0.936 319 D HN 0.353 nan 8.370 nan 0.000 0.514 320 K N 2.125 122.583 120.400 0.096 0.000 3.165 320 K HA 0.052 4.372 4.320 -0.000 0.000 0.259 320 K C -0.160 176.461 176.600 0.034 0.000 1.282 320 K CA -0.097 56.238 56.287 0.080 0.000 1.259 320 K CB -0.158 32.425 32.500 0.139 0.000 1.546 320 K HN -0.166 nan 8.250 nan 0.000 0.384 321 S N 2.798 118.489 115.700 -0.015 0.000 2.516 321 S HA 0.192 4.662 4.470 -0.000 0.000 0.282 321 S C -1.949 172.507 174.600 -0.241 0.000 1.286 321 S CA -1.010 57.107 58.200 -0.138 0.000 1.066 321 S CB 0.471 63.624 63.200 -0.079 0.000 0.884 321 S HN 0.367 nan 8.310 nan 0.000 0.491 322 P HA 0.323 nan 4.420 nan 0.000 0.277 322 P C -0.728 176.455 177.300 -0.195 0.000 1.271 322 P CA -0.655 62.249 63.100 -0.328 0.000 0.795 322 P CB 0.418 31.823 31.700 -0.491 0.000 1.101 323 A N 0.711 123.484 122.820 -0.079 0.000 2.498 323 A HA 0.400 4.720 4.320 -0.000 0.000 0.239 323 A C 0.272 177.858 177.584 0.005 0.000 1.068 323 A CA 0.092 52.137 52.037 0.014 0.000 0.766 323 A CB -0.809 18.260 19.000 0.115 0.000 1.003 323 A HN 0.438 nan 8.150 nan 0.000 0.497 324 I N 1.551 122.127 120.570 0.010 0.000 2.582 324 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 324 I C -0.020 176.165 176.117 0.114 0.000 1.066 324 I CA -0.235 61.048 61.300 -0.027 0.000 1.053 324 I CB 2.510 40.449 38.000 -0.102 0.000 1.241 324 I HN 0.763 nan 8.210 nan 0.000 0.421 325 S N 3.885 119.692 115.700 0.178 0.000 2.533 325 S HA 0.836 5.306 4.470 -0.000 0.000 0.271 325 S C -1.070 173.646 174.600 0.192 0.000 1.143 325 S CA -0.780 57.560 58.200 0.234 0.000 0.891 325 S CB 1.999 65.352 63.200 0.254 0.000 1.105 325 S HN 0.792 nan 8.310 nan 0.000 0.468 326 A N 2.269 125.187 122.820 0.164 0.000 2.273 326 A HA 0.598 4.918 4.320 -0.000 0.000 0.320 326 A C 1.165 178.756 177.584 0.012 0.000 1.358 326 A CA -0.217 51.847 52.037 0.045 0.000 0.910 326 A CB -0.087 18.856 19.000 -0.096 0.000 1.159 326 A HN 1.359 nan 8.150 nan 0.000 0.526 327 T N 0.035 114.607 114.554 0.031 0.000 3.051 327 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 327 T C 1.333 176.013 174.700 -0.033 0.000 1.127 327 T CA 1.175 63.272 62.100 -0.005 0.000 1.107 327 T CB -0.273 68.598 68.868 0.005 0.000 0.898 327 T HN 0.626 nan 8.240 nan 0.000 0.517 328 K N 1.091 121.460 120.400 -0.052 0.000 2.360 328 K HA 0.150 4.470 4.320 -0.000 0.000 0.201 328 K C 2.537 179.103 176.600 -0.057 0.000 1.046 328 K CA 0.854 57.099 56.287 -0.070 0.000 0.945 328 K CB -0.312 32.087 32.500 -0.167 0.000 0.750 328 K HN 0.503 nan 8.250 nan 0.000 0.464 329 A N 0.746 123.527 122.820 -0.067 0.000 2.015 329 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 329 A C 1.964 179.526 177.584 -0.037 0.000 1.163 329 A CA 1.215 53.218 52.037 -0.056 0.000 0.646 329 A CB -0.193 18.773 19.000 -0.057 0.000 0.806 329 A HN 0.187 nan 8.150 nan 0.000 0.448 330 M N -1.277 118.297 119.600 -0.043 0.000 2.429 330 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 330 M C 2.272 178.552 176.300 -0.034 0.000 1.120 330 M CA 1.645 56.918 55.300 -0.046 0.000 1.173 330 M CB 0.042 32.591 32.600 -0.084 0.000 1.343 330 M HN 0.589 nan 8.290 nan 0.000 0.464 331 T N -2.492 112.045 114.554 -0.030 0.000 3.037 331 T HA 0.447 4.797 4.350 -0.000 0.000 0.252 331 T C 1.032 175.754 174.700 0.037 0.000 1.073 331 T CA 0.467 62.569 62.100 0.003 0.000 1.091 331 T CB 0.127 69.019 68.868 0.041 0.000 0.935 331 T HN 0.528 nan 8.240 nan 0.000 0.488 332 G N 1.079 109.905 108.800 0.044 0.000 2.710 332 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.668 332 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.668 332 G C -0.966 173.995 174.900 0.101 0.000 1.320 332 G CA -0.385 44.770 45.100 0.092 0.000 0.860 332 G HN 0.814 nan 8.290 nan 0.000 0.538 333 H N 0.710 119.775 119.070 -0.009 0.000 2.641 333 H HA 0.605 5.161 4.556 -0.000 0.000 0.295 333 H C 1.587 176.833 175.328 -0.137 0.000 1.070 333 H CA -0.066 55.889 56.048 -0.155 0.000 1.257 333 H CB 0.643 30.164 29.762 -0.402 0.000 1.393 333 H HN 0.851 nan 8.280 nan 0.000 0.464 334 S N 4.780 120.559 115.700 0.132 0.000 2.710 334 S HA 0.119 4.589 4.470 -0.000 0.000 0.224 334 S C 1.330 175.881 174.600 -0.081 0.000 0.948 334 S CA 0.040 58.232 58.200 -0.014 0.000 0.949 334 S CB -0.597 62.595 63.200 -0.013 0.000 0.778 334 S HN 0.726 nan 8.310 nan 0.000 0.498 335 L N -0.025 121.069 121.223 -0.215 0.000 4.782 335 L HA -0.356 3.984 4.340 -0.000 0.000 0.053 335 L C 2.279 179.124 176.870 -0.042 0.000 3.426 335 L CA 1.512 56.189 54.840 -0.273 0.000 1.357 335 L CB -2.053 39.793 42.059 -0.356 0.000 3.081 335 L HN 0.429 nan 8.230 nan 0.000 0.912 336 G N -1.153 107.626 108.800 -0.036 0.000 2.470 336 G HA2 0.045 4.005 3.960 -0.000 0.000 0.220 336 G HA3 0.045 4.005 3.960 -0.000 0.000 0.220 336 G C 1.255 176.158 174.900 0.005 0.000 1.121 336 G CA 1.258 46.362 45.100 0.008 0.000 0.766 336 G HN 0.853 nan 8.290 nan 0.000 0.553 337 A N 0.293 123.109 122.820 -0.006 0.000 2.238 337 A HA 0.655 4.975 4.320 -0.000 0.000 0.210 337 A C 2.542 180.095 177.584 -0.052 0.000 1.179 337 A CA 1.259 53.282 52.037 -0.023 0.000 0.827 337 A CB -0.202 18.787 19.000 -0.019 0.000 0.856 337 A HN 0.517 nan 8.150 nan 0.000 0.488 338 A N 0.211 123.015 122.820 -0.026 0.000 1.883 338 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 338 A C 2.363 179.885 177.584 -0.103 0.000 1.186 338 A CA 1.972 53.982 52.037 -0.045 0.000 0.624 338 A CB -1.367 17.641 19.000 0.015 0.000 0.822 338 A HN 0.700 nan 8.150 nan 0.000 0.444 339 G N -0.859 107.890 108.800 -0.085 0.000 2.491 339 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 339 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 339 G C 1.666 176.479 174.900 -0.145 0.000 1.180 339 G CA 1.453 46.485 45.100 -0.114 0.000 0.774 339 G HN 0.650 nan 8.290 nan 0.000 0.562 340 V N 0.060 119.890 119.914 -0.140 0.000 2.453 340 V HA -0.085 4.035 4.120 -0.000 0.000 0.247 340 V C 2.723 178.669 176.094 -0.247 0.000 1.048 340 V CA 2.397 64.599 62.300 -0.163 0.000 1.049 340 V CB -0.201 31.548 31.823 -0.123 0.000 0.672 340 V HN 0.516 nan 8.190 nan 0.000 0.457 341 Q N -0.414 119.205 119.800 -0.300 0.000 2.079 341 Q HA -0.231 4.109 4.340 -0.000 0.000 0.200 341 Q C 2.147 177.586 176.000 -0.936 0.000 0.974 341 Q CA 2.071 57.547 55.803 -0.544 0.000 0.840 341 Q CB -0.111 28.366 28.738 -0.435 0.000 0.898 341 Q HN 0.709 nan 8.270 nan 0.000 0.430 342 E N 0.277 120.136 120.200 -0.567 0.000 2.208 342 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 342 E C 1.801 178.268 176.600 -0.221 0.000 0.988 342 E CA 0.672 56.847 56.400 -0.374 0.000 0.828 342 E CB 0.028 29.650 29.700 -0.131 0.000 0.763 342 E HN 0.320 nan 8.360 nan 0.000 0.478 343 A N 0.822 123.510 122.820 -0.220 0.000 1.968 343 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 343 A C 2.080 179.572 177.584 -0.154 0.000 1.169 343 A CA 0.736 52.685 52.037 -0.145 0.000 0.638 343 A CB -0.315 18.600 19.000 -0.142 0.000 0.812 343 A HN 0.133 nan 8.150 nan 0.000 0.446 344 I N -1.452 118.972 120.570 -0.244 0.000 2.286 344 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 344 I C 2.206 178.288 176.117 -0.058 0.000 1.104 344 I CA 1.062 62.239 61.300 -0.204 0.000 1.397 344 I CB -0.376 37.478 38.000 -0.243 0.000 1.072 344 I HN 0.349 nan 8.210 nan 0.000 0.417 345 Y N 0.824 121.103 120.300 -0.035 0.000 2.181 345 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 345 Y C 2.947 178.828 175.900 -0.032 0.000 1.146 345 Y CA 0.726 58.816 58.100 -0.017 0.000 1.164 345 Y CB -1.335 37.122 38.460 -0.005 0.000 0.982 345 Y HN 0.103 nan 8.280 nan 0.000 0.515 346 S N 0.035 115.812 115.700 0.129 0.000 2.368 346 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 346 S C 2.173 176.793 174.600 0.033 0.000 1.029 346 S CA 0.985 59.245 58.200 0.100 0.000 0.988 346 S CB -0.578 62.687 63.200 0.109 0.000 0.838 346 S HN 0.350 nan 8.310 nan 0.000 0.462 347 L N 0.959 122.186 121.223 0.006 0.000 2.131 347 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 347 L C 2.116 179.026 176.870 0.066 0.000 1.092 347 L CA 0.937 55.778 54.840 0.001 0.000 0.759 347 L CB -0.506 41.485 42.059 -0.114 0.000 0.903 347 L HN 0.297 nan 8.230 nan 0.000 0.435 348 L N -1.234 120.048 121.223 0.098 0.000 2.156 348 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 348 L C 2.581 179.580 176.870 0.215 0.000 1.095 348 L CA 1.032 56.030 54.840 0.263 0.000 0.770 348 L CB -0.291 41.939 42.059 0.285 0.000 0.914 348 L HN 0.297 nan 8.230 nan 0.000 0.439 349 M N -0.855 118.686 119.600 -0.098 0.000 2.175 349 M HA -0.198 4.282 4.480 -0.000 0.000 0.264 349 M C 2.271 178.451 176.300 -0.201 0.000 1.063 349 M CA 1.487 56.502 55.300 -0.476 0.000 1.119 349 M CB -0.237 31.944 32.600 -0.699 0.000 1.377 349 M HN 0.204 nan 8.290 nan 0.000 0.415 350 L N 0.619 121.798 121.223 -0.074 0.000 2.056 350 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 350 L C 2.253 179.127 176.870 0.008 0.000 1.078 350 L CA 1.991 56.820 54.840 -0.018 0.000 0.749 350 L CB -0.568 41.503 42.059 0.020 0.000 0.901 350 L HN 0.207 nan 8.230 nan 0.000 0.433 351 E N -1.314 118.906 120.200 0.033 0.000 2.072 351 E HA -0.206 4.143 4.350 -0.000 0.000 0.191 351 E C 1.939 178.413 176.600 -0.211 0.000 0.985 351 E CA 1.573 57.939 56.400 -0.057 0.000 0.801 351 E CB -0.109 29.594 29.700 0.005 0.000 0.750 351 E HN 0.624 nan 8.360 nan 0.000 0.452 352 H N -1.452 117.717 119.070 0.165 0.000 2.575 352 H HA 0.271 4.827 4.556 -0.000 0.000 0.267 352 H C 0.639 176.097 175.328 0.218 0.000 0.966 352 H CA 0.656 56.829 56.048 0.208 0.000 1.165 352 H CB 0.747 30.692 29.762 0.304 0.000 1.433 352 H HN 0.284 nan 8.280 nan 0.000 0.544 353 G N 1.806 110.727 108.800 0.202 0.000 2.368 353 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.290 353 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.290 353 G C -0.254 174.773 174.900 0.212 0.000 1.098 353 G CA 0.534 45.715 45.100 0.135 0.000 1.073 353 G HN 0.507 nan 8.290 nan 0.000 0.511 354 F N -1.830 118.101 119.950 -0.032 0.000 2.713 354 F HA 0.824 5.351 4.527 -0.000 0.000 0.311 354 F C -0.880 174.822 175.800 -0.164 0.000 1.141 354 F CA -2.210 55.748 58.000 -0.071 0.000 0.939 354 F CB 1.180 40.152 39.000 -0.046 0.000 1.325 354 F HN 0.068 nan 8.300 nan 0.000 0.453 355 I N 2.637 123.063 120.570 -0.240 0.000 2.389 355 I HA 0.614 4.784 4.170 -0.000 0.000 0.288 355 I C -0.008 176.014 176.117 -0.159 0.000 0.999 355 I CA -1.095 59.924 61.300 -0.468 0.000 1.129 355 I CB 1.739 39.554 38.000 -0.308 0.000 1.288 355 I HN 0.959 nan 8.210 nan 0.000 0.444 356 A N 9.228 131.901 122.820 -0.245 0.000 2.440 356 A HA 0.496 4.816 4.320 -0.000 0.000 0.251 356 A C -2.306 175.295 177.584 0.029 0.000 1.089 356 A CA -1.101 50.961 52.037 0.043 0.000 0.779 356 A CB -0.325 18.681 19.000 0.010 0.000 1.022 356 A HN 0.425 nan 8.150 nan 0.000 0.492 357 P HA 0.087 nan 4.420 nan 0.000 0.272 357 P C -0.274 177.059 177.300 0.054 0.000 1.223 357 P CA -0.129 63.001 63.100 0.051 0.000 0.784 357 P CB 1.042 32.765 31.700 0.038 0.000 0.923 358 S N 2.318 118.062 115.700 0.074 0.000 2.415 358 S HA 0.380 4.850 4.470 -0.000 0.000 0.313 358 S C 0.571 175.206 174.600 0.057 0.000 1.067 358 S CA -0.845 57.407 58.200 0.086 0.000 1.099 358 S CB -1.331 61.965 63.200 0.160 0.000 0.991 358 S HN 0.344 nan 8.310 nan 0.000 0.491 359 I N 1.997 122.582 120.570 0.024 0.000 3.156 359 I HA 0.499 4.669 4.170 -0.000 0.000 0.306 359 I C 0.414 176.531 176.117 -0.000 0.000 1.048 359 I CA -0.533 60.773 61.300 0.010 0.000 1.207 359 I CB 0.342 38.339 38.000 -0.004 0.000 1.456 359 I HN 0.529 nan 8.210 nan 0.000 0.616 360 N N 0.884 119.581 118.700 -0.006 0.000 2.800 360 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 360 N C -0.570 174.936 175.510 -0.007 0.000 1.078 360 N CA 0.967 54.003 53.050 -0.023 0.000 0.804 360 N CB -1.582 36.867 38.487 -0.064 0.000 1.135 360 N HN 0.618 nan 8.380 nan 0.000 0.565 361 I N 1.239 121.823 120.570 0.023 0.000 2.308 361 I HA 0.051 4.221 4.170 -0.000 0.000 0.293 361 I C 1.442 177.584 176.117 0.042 0.000 1.078 361 I CA 0.049 61.375 61.300 0.043 0.000 1.292 361 I CB 0.653 38.696 38.000 0.073 0.000 1.423 361 I HN 0.030 nan 8.210 nan 0.000 0.493 362 E N 3.911 124.141 120.200 0.051 0.000 2.166 362 E HA 0.024 4.374 4.350 -0.000 0.000 0.192 362 E C 0.418 177.060 176.600 0.070 0.000 0.967 362 E CA 0.476 56.915 56.400 0.064 0.000 0.840 362 E CB 0.546 30.298 29.700 0.087 0.000 0.795 362 E HN 0.545 nan 8.360 nan 0.000 0.470 363 E N 1.057 121.298 120.200 0.068 0.000 2.343 363 E HA 0.151 4.501 4.350 -0.000 0.000 0.260 363 E C -1.418 175.193 176.600 0.017 0.000 0.908 363 E CA -0.589 55.839 56.400 0.046 0.000 0.814 363 E CB 1.006 30.744 29.700 0.062 0.000 1.302 363 E HN -0.059 nan 8.360 nan 0.000 0.408 364 L N 4.142 125.380 121.223 0.025 0.000 2.499 364 L HA 0.094 4.434 4.340 -0.000 0.000 0.273 364 L C 0.326 177.204 176.870 0.012 0.000 1.195 364 L CA 0.620 55.477 54.840 0.029 0.000 0.882 364 L CB 0.631 42.701 42.059 0.019 0.000 1.133 364 L HN 0.602 nan 8.230 nan 0.000 0.483 365 D N 3.228 123.646 120.400 0.030 0.000 2.449 365 D HA -0.065 4.575 4.640 -0.000 0.000 0.236 365 D C 0.729 177.034 176.300 0.010 0.000 1.149 365 D CA 0.193 54.204 54.000 0.019 0.000 0.878 365 D CB 0.890 41.727 40.800 0.062 0.000 1.198 365 D HN 0.705 nan 8.370 nan 0.000 0.446 366 E N 1.472 121.675 120.200 0.005 0.000 2.077 366 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 366 E C 1.717 178.318 176.600 0.002 0.000 0.989 366 E CA 0.894 57.296 56.400 0.003 0.000 0.800 366 E CB 0.045 29.748 29.700 0.006 0.000 0.746 366 E HN 0.543 nan 8.360 nan 0.000 0.452 367 Q N -0.153 119.653 119.800 0.010 0.000 2.541 367 Q HA -0.016 4.324 4.340 -0.000 0.000 0.215 367 Q C 1.629 177.622 176.000 -0.011 0.000 0.977 367 Q CA 0.645 56.453 55.803 0.009 0.000 0.934 367 Q CB 0.144 28.897 28.738 0.025 0.000 0.988 367 Q HN 0.202 nan 8.270 nan 0.000 0.521 368 A N 0.675 123.478 122.820 -0.029 0.000 2.195 368 A HA 0.356 4.676 4.320 -0.000 0.000 0.210 368 A C 1.041 178.579 177.584 -0.076 0.000 1.165 368 A CA 0.137 52.119 52.037 -0.092 0.000 0.806 368 A CB 0.096 19.017 19.000 -0.132 0.000 0.847 368 A HN 0.290 nan 8.150 nan 0.000 0.482 369 A N -0.592 122.205 122.820 -0.039 0.000 2.567 369 A HA 0.404 4.724 4.320 -0.000 0.000 0.240 369 A C 1.667 179.233 177.584 -0.030 0.000 1.053 369 A CA 0.815 52.835 52.037 -0.029 0.000 0.755 369 A CB -0.710 18.282 19.000 -0.014 0.000 0.978 369 A HN 1.996 nan 8.150 nan 0.000 0.507 370 G N 0.969 109.751 108.800 -0.029 0.000 2.176 370 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.253 370 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.253 370 G C 0.071 174.950 174.900 -0.035 0.000 0.979 370 G CA 0.442 45.527 45.100 -0.024 0.000 0.641 370 G HN 0.829 nan 8.290 nan 0.000 0.530 371 L N 0.204 121.392 121.223 -0.058 0.000 2.344 371 L HA 0.494 4.834 4.340 -0.000 0.000 0.272 371 L C 0.436 177.258 176.870 -0.080 0.000 1.035 371 L CA -1.101 53.693 54.840 -0.077 0.000 0.807 371 L CB 1.336 43.325 42.059 -0.117 0.000 1.237 371 L HN 0.070 nan 8.230 nan 0.000 0.442 372 N N 2.884 121.538 118.700 -0.077 0.000 2.968 372 N HA 0.239 4.979 4.740 -0.000 0.000 0.271 372 N C -0.723 174.753 175.510 -0.057 0.000 1.174 372 N CA -0.038 52.978 53.050 -0.057 0.000 1.096 372 N CB -0.230 38.229 38.487 -0.046 0.000 1.403 372 N HN 0.407 nan 8.380 nan 0.000 0.522 373 I N 2.441 122.970 120.570 -0.068 0.000 2.322 373 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 373 I C 0.039 176.160 176.117 0.006 0.000 1.060 373 I CA -0.765 60.503 61.300 -0.053 0.000 1.309 373 I CB 1.004 38.926 38.000 -0.129 0.000 1.415 373 I HN -0.030 nan 8.210 nan 0.000 0.492 374 V N 6.044 125.983 119.914 0.043 0.000 2.470 374 V HA 0.030 4.150 4.120 -0.000 0.000 0.276 374 V C 1.279 177.407 176.094 0.056 0.000 1.040 374 V CA 0.179 62.508 62.300 0.049 0.000 1.008 374 V CB 0.879 32.738 31.823 0.060 0.000 0.990 374 V HN 0.900 nan 8.190 nan 0.000 0.477 375 T N 0.621 115.201 114.554 0.042 0.000 3.085 375 T HA 0.291 4.641 4.350 -0.000 0.000 0.264 375 T C 0.179 174.899 174.700 0.033 0.000 1.019 375 T CA -0.214 61.912 62.100 0.042 0.000 0.910 375 T CB -0.141 68.750 68.868 0.038 0.000 1.059 375 T HN 0.819 nan 8.240 nan 0.000 0.542 376 E N 0.239 120.458 120.200 0.031 0.000 2.366 376 E HA 0.408 4.758 4.350 -0.000 0.000 0.278 376 E C -1.470 175.150 176.600 0.034 0.000 0.923 376 E CA -1.118 55.298 56.400 0.026 0.000 0.761 376 E CB 0.877 30.588 29.700 0.017 0.000 1.231 376 E HN -0.095 nan 8.360 nan 0.000 0.443 377 T N 2.223 116.799 114.554 0.037 0.000 2.871 377 T HA 0.165 4.515 4.350 -0.000 0.000 0.296 377 T C 0.001 174.737 174.700 0.059 0.000 0.998 377 T CA 0.638 62.778 62.100 0.067 0.000 1.162 377 T CB 0.173 69.062 68.868 0.036 0.000 0.947 377 T HN 0.561 nan 8.240 nan 0.000 0.536 378 T N 1.518 116.122 114.554 0.084 0.000 2.879 378 T HA 0.324 4.674 4.350 -0.000 0.000 0.290 378 T C -0.953 173.799 174.700 0.086 0.000 0.993 378 T CA -1.149 60.986 62.100 0.059 0.000 0.975 378 T CB 1.175 70.061 68.868 0.031 0.000 0.981 378 T HN 0.362 nan 8.240 nan 0.000 0.439 379 D N 2.793 123.238 120.400 0.076 0.000 2.350 379 D HA 0.502 5.142 4.640 -0.000 0.000 0.249 379 D C 0.251 176.583 176.300 0.054 0.000 1.119 379 D CA 0.060 54.115 54.000 0.091 0.000 0.886 379 D CB 1.275 42.114 40.800 0.064 0.000 1.195 379 D HN 0.655 nan 8.370 nan 0.000 0.437 380 R N 0.862 121.392 120.500 0.050 0.000 2.633 380 R HA 0.085 4.425 4.340 -0.000 0.000 0.255 380 R C -1.430 174.879 176.300 0.015 0.000 1.106 380 R CA -0.479 55.634 56.100 0.020 0.000 0.959 380 R CB 1.077 31.377 30.300 -0.000 0.000 1.259 380 R HN 0.235 nan 8.270 nan 0.000 0.453 381 E N 4.211 124.419 120.200 0.014 0.000 2.257 381 E HA 0.202 4.552 4.350 -0.000 0.000 0.278 381 E C -0.427 176.174 176.600 0.002 0.000 1.049 381 E CA -0.042 56.365 56.400 0.011 0.000 0.876 381 E CB 0.759 30.466 29.700 0.011 0.000 1.035 381 E HN 0.325 nan 8.360 nan 0.000 0.419 382 L N 2.253 123.472 121.223 -0.006 0.000 2.334 382 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 382 L C 0.918 177.792 176.870 0.006 0.000 1.020 382 L CA -0.311 54.527 54.840 -0.003 0.000 0.812 382 L CB 1.752 43.795 42.059 -0.025 0.000 1.264 382 L HN 0.566 nan 8.230 nan 0.000 0.439 383 T N -1.555 113.008 114.554 0.015 0.000 3.176 383 T HA 0.091 4.441 4.350 -0.000 0.000 0.259 383 T C 0.222 174.935 174.700 0.022 0.000 0.978 383 T CA 0.260 62.369 62.100 0.014 0.000 1.050 383 T CB 0.726 69.601 68.868 0.012 0.000 1.136 383 T HN 0.566 nan 8.240 nan 0.000 0.465 384 T N 3.171 117.743 114.554 0.030 0.000 2.840 384 T HA 0.683 5.033 4.350 -0.000 0.000 0.287 384 T C -0.665 174.064 174.700 0.049 0.000 0.991 384 T CA -0.669 61.452 62.100 0.036 0.000 0.964 384 T CB 1.884 70.774 68.868 0.036 0.000 0.954 384 T HN 0.248 nan 8.240 nan 0.000 0.438 385 V N 1.316 121.262 119.914 0.054 0.000 2.864 385 V HA 0.853 4.973 4.120 -0.000 0.000 0.314 385 V C -0.598 175.509 176.094 0.023 0.000 1.073 385 V CA -1.208 61.133 62.300 0.067 0.000 0.956 385 V CB 2.134 34.042 31.823 0.140 0.000 1.023 385 V HN 0.957 nan 8.190 nan 0.000 0.435 386 M N 2.899 122.477 119.600 -0.036 0.000 2.530 386 M HA 0.748 5.228 4.480 -0.000 0.000 0.307 386 M C -0.953 175.287 176.300 -0.100 0.000 1.161 386 M CA -0.310 54.967 55.300 -0.037 0.000 0.903 386 M CB 2.247 34.852 32.600 0.009 0.000 1.711 386 M HN 0.984 nan 8.290 nan 0.000 0.451 387 S N 3.107 118.763 115.700 -0.073 0.000 2.672 387 S HA 0.560 5.030 4.470 -0.000 0.000 0.291 387 S C -1.486 173.028 174.600 -0.142 0.000 1.145 387 S CA -0.788 57.347 58.200 -0.108 0.000 1.013 387 S CB 0.947 64.097 63.200 -0.084 0.000 1.017 387 S HN 0.838 nan 8.310 nan 0.000 0.487 388 N N 2.066 120.635 118.700 -0.219 0.000 2.487 388 N HA 0.571 5.311 4.740 -0.000 0.000 0.292 388 N C -1.258 173.908 175.510 -0.573 0.000 1.108 388 N CA -0.370 52.406 53.050 -0.457 0.000 0.956 388 N CB 1.822 39.945 38.487 -0.606 0.000 1.176 388 N HN 0.489 nan 8.380 nan 0.000 0.484 389 S N 1.491 116.721 115.700 -0.783 0.000 2.776 389 S HA 0.488 4.958 4.470 -0.000 0.000 0.284 389 S C -1.398 172.793 174.600 -0.682 0.000 1.160 389 S CA -0.589 57.250 58.200 -0.601 0.000 1.051 389 S CB 0.249 63.273 63.200 -0.293 0.000 1.037 389 S HN 0.268 nan 8.310 nan 0.000 0.485 390 F N 1.730 121.235 119.950 -0.741 0.000 2.427 390 F HA 0.730 5.257 4.527 -0.000 0.000 0.348 390 F C 0.806 176.401 175.800 -0.341 0.000 1.125 390 F CA -1.011 56.706 58.000 -0.472 0.000 0.989 390 F CB 1.488 40.239 39.000 -0.415 0.000 1.165 390 F HN 0.614 nan 8.300 nan 0.000 0.442 391 G N 1.961 110.840 108.800 0.132 0.000 2.597 391 G HA2 0.551 4.511 3.960 -0.000 0.000 0.317 391 G HA3 0.551 4.511 3.960 -0.000 0.000 0.317 391 G C -0.821 174.319 174.900 0.400 0.000 1.230 391 G CA -0.816 44.420 45.100 0.227 0.000 0.996 391 G HN 0.430 nan 8.290 nan 0.000 0.490 392 F N -0.207 119.841 119.950 0.164 0.000 2.545 392 F HA 0.308 4.835 4.527 -0.000 0.000 0.348 392 F C 1.672 177.539 175.800 0.113 0.000 1.163 392 F CA 1.161 59.251 58.000 0.151 0.000 1.331 392 F CB 0.995 40.104 39.000 0.181 0.000 1.138 392 F HN 0.804 nan 8.300 nan 0.000 0.602 393 G N 1.148 110.090 108.800 0.237 0.000 2.157 393 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.248 393 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.248 393 G C 0.658 175.621 174.900 0.106 0.000 0.979 393 G CA 0.092 45.277 45.100 0.142 0.000 0.650 393 G HN 1.756 nan 8.290 nan 0.000 0.529 394 G N -1.044 107.823 108.800 0.113 0.000 2.295 394 G HA2 0.099 4.059 3.960 -0.000 0.000 0.287 394 G HA3 0.099 4.059 3.960 -0.000 0.000 0.287 394 G C 0.316 175.268 174.900 0.088 0.000 1.055 394 G CA 1.382 46.526 45.100 0.074 0.000 0.922 394 G HN 1.996 nan 8.290 nan 0.000 0.503 395 T N 0.335 114.977 114.554 0.146 0.000 2.758 395 T HA 0.582 4.932 4.350 -0.000 0.000 0.285 395 T C 0.048 174.891 174.700 0.238 0.000 0.981 395 T CA -0.656 61.554 62.100 0.183 0.000 0.965 395 T CB 0.371 69.364 68.868 0.208 0.000 0.927 395 T HN 0.339 nan 8.240 nan 0.000 0.448 396 N N 2.850 121.696 118.700 0.243 0.000 2.319 396 N HA 0.763 5.502 4.740 -0.000 0.000 0.305 396 N C -1.220 174.414 175.510 0.206 0.000 1.103 396 N CA -0.694 52.539 53.050 0.304 0.000 0.815 396 N CB 2.133 40.776 38.487 0.261 0.000 1.288 396 N HN 0.764 nan 8.380 nan 0.000 0.493 397 A N 0.482 123.345 122.820 0.072 0.000 2.488 397 A HA 0.707 5.027 4.320 -0.000 0.000 0.298 397 A C -1.022 176.536 177.584 -0.043 0.000 1.044 397 A CA -0.517 51.479 52.037 -0.069 0.000 0.693 397 A CB 1.377 20.110 19.000 -0.446 0.000 1.272 397 A HN 0.457 nan 8.150 nan 0.000 0.402 398 T N 2.289 116.867 114.554 0.040 0.000 2.921 398 T HA 0.608 4.958 4.350 -0.000 0.000 0.297 398 T C -0.894 173.869 174.700 0.105 0.000 1.013 398 T CA -0.255 61.865 62.100 0.035 0.000 0.990 398 T CB 0.940 69.853 68.868 0.076 0.000 1.023 398 T HN 0.512 nan 8.240 nan 0.000 0.447 399 L N 2.722 123.978 121.223 0.056 0.000 2.346 399 L HA 0.792 5.132 4.340 -0.000 0.000 0.276 399 L C -0.798 176.098 176.870 0.044 0.000 1.006 399 L CA -1.142 53.740 54.840 0.070 0.000 0.817 399 L CB 2.036 44.099 42.059 0.006 0.000 1.272 399 L HN 0.337 nan 8.230 nan 0.000 0.421 400 V N 3.807 123.756 119.914 0.059 0.000 2.487 400 V HA 0.522 4.642 4.120 -0.000 0.000 0.298 400 V C -0.181 175.934 176.094 0.035 0.000 1.028 400 V CA -0.363 61.966 62.300 0.048 0.000 0.860 400 V CB 1.800 33.661 31.823 0.064 0.000 0.991 400 V HN 0.714 nan 8.190 nan 0.000 0.427 401 M N 4.958 124.573 119.600 0.026 0.000 2.393 401 M HA 0.660 5.140 4.480 -0.000 0.000 0.316 401 M C -0.554 175.760 176.300 0.024 0.000 1.087 401 M CA -0.400 54.912 55.300 0.019 0.000 0.937 401 M CB 2.611 35.217 32.600 0.009 0.000 1.668 401 M HN 0.579 nan 8.290 nan 0.000 0.438 402 R N 1.529 122.040 120.500 0.018 0.000 2.686 402 R HA 0.450 4.790 4.340 -0.000 0.000 0.283 402 R C -1.087 175.217 176.300 0.007 0.000 0.978 402 R CA -0.795 55.314 56.100 0.016 0.000 0.897 402 R CB 1.858 32.167 30.300 0.015 0.000 1.192 402 R HN 0.629 nan 8.270 nan 0.000 0.457 403 K N 2.625 123.028 120.400 0.005 0.000 2.489 403 K HA -0.014 4.306 4.320 -0.000 0.000 0.278 403 K C -0.464 176.127 176.600 -0.015 0.000 1.000 403 K CA 0.077 56.360 56.287 -0.007 0.000 1.012 403 K CB 0.442 32.938 32.500 -0.006 0.000 0.903 403 K HN 0.295 nan 8.250 nan 0.000 0.485 404 L N 4.417 125.623 121.223 -0.030 0.000 2.265 404 L HA 0.111 4.451 4.340 -0.000 0.000 0.288 404 L C -0.581 176.270 176.870 -0.032 0.000 1.058 404 L CA -0.229 54.592 54.840 -0.032 0.000 0.809 404 L CB 0.706 42.737 42.059 -0.045 0.000 1.179 404 L HN 0.381 nan 8.230 nan 0.000 0.429 405 K N 5.240 125.626 120.400 -0.022 0.000 1.875 405 K HA -0.137 4.183 4.320 -0.000 0.000 0.226 405 K C 0.242 176.828 176.600 -0.024 0.000 1.248 405 K CA 1.099 57.375 56.287 -0.019 0.000 1.460 405 K CB -1.543 30.948 32.500 -0.015 0.000 0.820 405 K HN 0.826 nan 8.250 nan 0.000 0.393 406 D N 0.000 120.384 120.400 -0.027 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 406 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683