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 2g4c_1_D DATA FIRST_RESID 67 DATA SEQUENCE EALLEICQRR HFLSGSKQQL SRDSLLSGCH PGFGPLGVEL RKNLAAEWWT DATA SEQUENCE SVVVFREQVF PVDALHHKPG PLLPGDSAFR LVSAETLREI LQDKELSKEQ DATA SEQUENCE LVTFLENVLK TSGKLRENLL HGALEHYVNC LDLVNKRLPY GLAQIGVCFH DATA SEQUENCE PVXXXXXXXX XXKSIGEKTE ASLVWFTPPR TSNQWLDFWL RHRLQWWRKF DATA SEQUENCE AMSPSNFSSS DCQDEEGRKG NKLYYNFPWG KELIETLWNL GDHELLHMYP DATA SEQUENCE GNVSKLHGRD GRKNVVPCVL SVNGDLDRGM LAYLYDSFQX XXXXXXXXXX DATA SEQUENCE XHRKVLKLHP CLAPIKVALD VGRGPTLELR QVCQGLFNEL LENGISVWPG DATA SEQUENCE YLETMQSSLE QLYSKYDEMS ILFTVLVTET TLENGLIHLR SRDTTMKEMM DATA SEQUENCE HISKLKDFLI KYISSAKNV 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 67 E HA 0.000 nan 4.350 nan 0.000 0.291 67 E C 0.000 176.628 176.600 0.047 0.000 1.382 67 E CA 0.000 56.445 56.400 0.075 0.000 0.976 67 E CB 0.000 29.774 29.700 0.123 0.000 0.812 68 A N 0.454 123.346 122.820 0.119 0.000 2.016 68 A HA 0.120 4.438 4.320 -0.003 0.000 0.217 68 A C 1.983 179.513 177.584 -0.090 0.000 1.162 68 A CA 1.527 53.655 52.037 0.151 0.000 0.662 68 A CB -0.315 18.901 19.000 0.360 0.000 0.812 68 A HN 0.208 nan 8.150 nan 0.000 0.450 69 L N -0.867 120.158 121.223 -0.330 0.000 2.127 69 L HA 0.094 4.433 4.340 -0.003 0.000 0.203 69 L C 2.029 178.599 176.870 -0.501 0.000 1.080 69 L CA 1.196 55.450 54.840 -0.977 0.000 0.768 69 L CB -0.475 40.991 42.059 -0.988 0.000 0.924 69 L HN 0.287 nan 8.230 nan 0.000 0.444 70 L N -0.206 120.858 121.223 -0.264 0.000 2.017 70 L HA -0.184 4.154 4.340 -0.003 0.000 0.208 70 L C 2.548 179.355 176.870 -0.105 0.000 1.073 70 L CA 1.865 56.620 54.840 -0.141 0.000 0.745 70 L CB -1.020 41.015 42.059 -0.040 0.000 0.894 70 L HN 0.421 nan 8.230 nan 0.000 0.432 71 E N 0.375 120.525 120.200 -0.084 0.000 2.049 71 E HA -0.247 4.102 4.350 -0.003 0.000 0.198 71 E C 2.312 178.870 176.600 -0.071 0.000 1.007 71 E CA 1.678 58.045 56.400 -0.055 0.000 0.809 71 E CB -0.261 29.422 29.700 -0.028 0.000 0.749 71 E HN 0.561 nan 8.360 nan 0.000 0.450 72 I N 0.267 120.771 120.570 -0.109 0.000 2.091 72 I HA -0.388 3.780 4.170 -0.003 0.000 0.239 72 I C 2.750 178.849 176.117 -0.031 0.000 1.061 72 I CA 1.223 62.468 61.300 -0.090 0.000 1.317 72 I CB -0.441 37.451 38.000 -0.179 0.000 1.031 72 I HN 0.184 nan 8.210 nan 0.000 0.401 73 C N 0.129 119.389 119.300 -0.067 0.000 2.398 73 C HA -0.218 4.240 4.460 -0.003 0.000 0.282 73 C C 2.777 177.825 174.990 0.097 0.000 1.275 73 C CA 1.226 60.293 59.018 0.081 0.000 1.797 73 C CB -1.268 26.431 27.740 -0.067 0.000 1.991 73 C HN 0.565 nan 8.230 nan 0.000 0.505 74 Q N 0.146 119.941 119.800 -0.008 0.000 1.990 74 Q HA -0.068 4.270 4.340 -0.003 0.000 0.195 74 Q C 2.558 178.466 176.000 -0.153 0.000 0.977 74 Q CA 0.726 56.498 55.803 -0.052 0.000 0.828 74 Q CB -0.186 28.522 28.738 -0.049 0.000 0.896 74 Q HN 0.550 nan 8.270 nan 0.000 0.447 75 R N -0.101 120.321 120.500 -0.131 0.000 2.133 75 R HA -0.097 4.241 4.340 -0.003 0.000 0.247 75 R C 1.695 177.852 176.300 -0.238 0.000 1.151 75 R CA 1.132 57.128 56.100 -0.173 0.000 0.971 75 R CB -0.080 30.172 30.300 -0.081 0.000 0.866 75 R HN 0.107 nan 8.270 nan 0.000 0.447 76 R N 0.432 120.857 120.500 -0.125 0.000 2.391 76 R HA 0.053 4.391 4.340 -0.003 0.000 0.249 76 R C -0.482 175.739 176.300 -0.131 0.000 0.957 76 R CA 0.016 56.068 56.100 -0.081 0.000 1.093 76 R CB -0.626 29.682 30.300 0.014 0.000 1.156 76 R HN 0.385 nan 8.270 nan 0.000 0.526 77 H N -0.797 118.212 119.070 -0.102 0.000 2.750 77 H HA -0.207 4.348 4.556 -0.002 0.000 0.327 77 H C 0.153 175.351 175.328 -0.216 0.000 1.199 77 H CA 0.708 56.685 56.048 -0.118 0.000 1.149 77 H CB -1.587 28.103 29.762 -0.121 0.000 1.543 77 H HN 0.187 nan 8.280 nan 0.000 0.427 78 F N -0.333 119.638 119.950 0.035 0.000 2.532 78 F HA 0.192 4.717 4.527 -0.002 0.000 0.278 78 F C 1.052 176.884 175.800 0.054 0.000 0.975 78 F CA 0.312 58.313 58.000 0.002 0.000 1.292 78 F CB 0.612 39.576 39.000 -0.061 0.000 1.112 78 F HN 0.040 nan 8.300 nan 0.000 0.703 79 L N 0.633 122.015 121.223 0.264 0.000 2.298 79 L HA 0.351 4.689 4.340 -0.003 0.000 0.284 79 L C 0.148 177.112 176.870 0.157 0.000 1.013 79 L CA -0.243 54.740 54.840 0.238 0.000 0.824 79 L CB 0.708 42.856 42.059 0.148 0.000 1.221 79 L HN -0.090 nan 8.230 nan 0.000 0.418 80 S N 1.818 117.626 115.700 0.180 0.000 2.601 80 S HA 0.834 5.303 4.470 -0.003 0.000 0.271 80 S C 0.300 174.947 174.600 0.079 0.000 1.305 80 S CA 0.613 58.884 58.200 0.118 0.000 1.022 80 S CB 1.134 64.415 63.200 0.134 0.000 0.940 80 S HN 1.070 nan 8.310 nan 0.000 0.525 81 G N 1.520 110.353 108.800 0.054 0.000 2.316 81 G HA2 0.123 4.081 3.960 -0.003 0.000 0.349 81 G HA3 0.123 4.081 3.960 -0.003 0.000 0.349 81 G C -0.703 174.211 174.900 0.024 0.000 1.274 81 G CA -0.198 44.926 45.100 0.040 0.000 1.018 81 G HN 1.042 nan 8.290 nan 0.000 0.486 82 S N -1.019 114.693 115.700 0.020 0.000 2.565 82 S HA 0.543 5.011 4.470 -0.003 0.000 0.290 82 S C 0.861 175.467 174.600 0.009 0.000 1.150 82 S CA 0.079 58.286 58.200 0.012 0.000 1.058 82 S CB 1.362 64.568 63.200 0.011 0.000 1.032 82 S HN 0.842 nan 8.310 nan 0.000 0.510 83 K N 2.270 122.671 120.400 0.003 0.000 3.120 83 K HA 0.054 4.372 4.320 -0.003 0.000 0.275 83 K C 0.412 177.012 176.600 -0.000 0.000 0.914 83 K CA 0.566 56.853 56.287 0.000 0.000 1.125 83 K CB -0.123 32.375 32.500 -0.003 0.000 1.053 83 K HN 0.499 nan 8.250 nan 0.000 0.450 84 Q N -1.402 118.399 119.800 0.002 0.000 2.451 84 Q HA -0.067 4.271 4.340 -0.003 0.000 0.216 84 Q C 1.333 177.335 176.000 0.004 0.000 0.746 84 Q CA 0.371 56.174 55.803 -0.000 0.000 0.940 84 Q CB 0.248 28.985 28.738 -0.000 0.000 1.311 84 Q HN 0.575 nan 8.270 nan 0.000 0.481 85 Q N -0.080 119.727 119.800 0.012 0.000 2.398 85 Q HA 0.130 4.469 4.340 -0.003 0.000 0.204 85 Q C 0.726 176.747 176.000 0.034 0.000 0.932 85 Q CA 0.376 56.192 55.803 0.021 0.000 0.916 85 Q CB 0.512 29.264 28.738 0.023 0.000 1.024 85 Q HN -0.004 nan 8.270 nan 0.000 0.504 86 L N 3.117 124.356 121.223 0.026 0.000 2.701 86 L HA 0.381 4.719 4.340 -0.003 0.000 0.237 86 L C -0.757 176.120 176.870 0.012 0.000 1.204 86 L CA 0.024 54.880 54.840 0.026 0.000 1.109 86 L CB 0.116 42.188 42.059 0.023 0.000 1.409 86 L HN 0.269 nan 8.230 nan 0.000 0.428 87 S N 1.181 116.885 115.700 0.006 0.000 2.726 87 S HA 0.569 5.037 4.470 -0.003 0.000 0.308 87 S C 1.197 175.770 174.600 -0.045 0.000 1.115 87 S CA -0.702 57.485 58.200 -0.021 0.000 0.965 87 S CB 1.714 64.894 63.200 -0.034 0.000 1.145 87 S HN 0.492 nan 8.310 nan 0.000 0.532 88 R N 1.250 121.682 120.500 -0.112 0.000 2.133 88 R HA -0.129 4.209 4.340 -0.003 0.000 0.245 88 R C 0.981 177.161 176.300 -0.200 0.000 1.137 88 R CA 2.246 58.202 56.100 -0.240 0.000 0.947 88 R CB -1.866 28.184 30.300 -0.418 0.000 0.865 88 R HN 0.640 nan 8.270 nan 0.000 0.437 89 D N 0.247 120.559 120.400 -0.147 0.000 2.103 89 D HA -0.007 4.631 4.640 -0.003 0.000 0.199 89 D C 2.001 178.289 176.300 -0.020 0.000 0.978 89 D CA 1.617 55.562 54.000 -0.092 0.000 0.829 89 D CB -0.418 40.336 40.800 -0.078 0.000 0.981 89 D HN 0.196 nan 8.370 nan 0.000 0.464 90 S N 0.475 116.180 115.700 0.008 0.000 2.353 90 S HA -0.131 4.337 4.470 -0.003 0.000 0.222 90 S C 1.878 176.574 174.600 0.160 0.000 1.035 90 S CA 0.507 58.746 58.200 0.065 0.000 1.025 90 S CB -0.314 62.929 63.200 0.071 0.000 0.902 90 S HN 0.100 nan 8.310 nan 0.000 0.440 91 L N 1.368 122.677 121.223 0.143 0.000 2.043 91 L HA -0.080 4.258 4.340 -0.003 0.000 0.212 91 L C 2.095 179.086 176.870 0.202 0.000 1.075 91 L CA 1.610 56.557 54.840 0.178 0.000 0.752 91 L CB -0.807 41.286 42.059 0.056 0.000 0.891 91 L HN 0.318 nan 8.230 nan 0.000 0.432 92 L N -1.472 119.810 121.223 0.098 0.000 2.049 92 L HA -0.128 4.210 4.340 -0.003 0.000 0.203 92 L C 2.479 179.392 176.870 0.072 0.000 1.074 92 L CA 1.229 56.113 54.840 0.074 0.000 0.749 92 L CB -0.677 41.393 42.059 0.019 0.000 0.907 92 L HN 0.394 nan 8.230 nan 0.000 0.439 93 S N 0.170 115.900 115.700 0.050 0.000 2.528 93 S HA -0.102 4.367 4.470 -0.003 0.000 0.244 93 S C 1.579 176.196 174.600 0.028 0.000 0.982 93 S CA 0.652 58.872 58.200 0.033 0.000 0.953 93 S CB -0.717 62.500 63.200 0.027 0.000 0.754 93 S HN 0.619 nan 8.310 nan 0.000 0.529 94 G N -0.034 108.809 108.800 0.071 0.000 2.198 94 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.260 94 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.260 94 G C 0.254 175.032 174.900 -0.203 0.000 1.025 94 G CA 0.141 45.228 45.100 -0.022 0.000 0.769 94 G HN 0.922 nan 8.290 nan 0.000 0.507 95 C N 3.023 122.275 119.300 -0.081 0.000 2.361 95 C HA 0.565 5.024 4.460 -0.003 0.000 0.336 95 C C 1.143 176.097 174.990 -0.061 0.000 1.406 95 C CA -0.450 58.511 59.018 -0.095 0.000 1.763 95 C CB -1.840 25.891 27.740 -0.014 0.000 2.761 95 C HN 0.621 nan 8.230 nan 0.000 0.566 96 H N 0.157 119.193 119.070 -0.056 0.000 2.585 96 H HA 0.479 5.033 4.556 -0.003 0.000 0.338 96 H C -1.635 173.643 175.328 -0.083 0.000 1.295 96 H CA -1.378 54.631 56.048 -0.064 0.000 1.356 96 H CB -0.350 29.369 29.762 -0.071 0.000 1.736 96 H HN 0.138 nan 8.280 nan 0.000 0.629 97 P HA 0.169 nan 4.420 nan 0.000 0.227 97 P C 0.518 177.835 177.300 0.029 0.000 1.161 97 P CA 1.095 64.221 63.100 0.043 0.000 0.788 97 P CB 0.728 32.459 31.700 0.051 0.000 0.822 98 G N -0.656 108.192 108.800 0.081 0.000 2.340 98 G HA2 0.264 4.223 3.960 -0.003 0.000 0.282 98 G HA3 0.264 4.223 3.960 -0.003 0.000 0.282 98 G C -2.013 172.866 174.900 -0.035 0.000 1.312 98 G CA -0.926 44.153 45.100 -0.035 0.000 0.942 98 G HN -0.060 nan 8.290 nan 0.000 0.495 99 F N 1.044 121.083 119.950 0.148 0.000 2.529 99 F HA 0.709 5.234 4.527 -0.003 0.000 0.320 99 F C 1.029 176.891 175.800 0.102 0.000 1.118 99 F CA -0.315 57.758 58.000 0.121 0.000 0.915 99 F CB 1.867 40.946 39.000 0.131 0.000 1.161 99 F HN 0.823 nan 8.300 nan 0.000 0.445 100 G N 2.607 111.597 108.800 0.317 0.000 2.651 100 G HA2 0.341 4.299 3.960 -0.003 0.000 0.260 100 G HA3 0.341 4.299 3.960 -0.003 0.000 0.260 100 G C -1.932 173.053 174.900 0.143 0.000 1.216 100 G CA -1.210 44.014 45.100 0.207 0.000 0.913 100 G HN 0.411 nan 8.290 nan 0.000 0.535 101 P HA -0.159 nan 4.420 nan 0.000 0.217 101 P C 2.137 179.428 177.300 -0.016 0.000 1.158 101 P CA 0.801 63.922 63.100 0.034 0.000 0.887 101 P CB 0.093 31.796 31.700 0.005 0.000 0.792 102 L N -0.847 120.299 121.223 -0.128 0.000 2.012 102 L HA -0.125 4.213 4.340 -0.003 0.000 0.210 102 L C 2.634 179.454 176.870 -0.083 0.000 1.073 102 L CA 2.512 57.170 54.840 -0.303 0.000 0.748 102 L CB -1.883 39.554 42.059 -1.037 0.000 0.891 102 L HN 0.018 nan 8.230 nan 0.000 0.431 103 G N -1.070 107.742 108.800 0.020 0.000 2.491 103 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.218 103 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.218 103 G C 1.618 176.456 174.900 -0.102 0.000 1.180 103 G CA 1.171 46.264 45.100 -0.011 0.000 0.774 103 G HN 0.273 nan 8.290 nan 0.000 0.562 104 V N 0.609 120.539 119.914 0.027 0.000 2.469 104 V HA -0.124 3.995 4.120 -0.003 0.000 0.251 104 V C 2.721 178.838 176.094 0.038 0.000 1.064 104 V CA 1.951 64.298 62.300 0.080 0.000 1.066 104 V CB -0.269 31.629 31.823 0.126 0.000 0.667 104 V HN 0.289 nan 8.190 nan 0.000 0.461 105 E N -0.512 119.703 120.200 0.025 0.000 2.230 105 E HA -0.055 4.293 4.350 -0.003 0.000 0.192 105 E C 1.957 178.569 176.600 0.021 0.000 0.987 105 E CA 0.511 56.924 56.400 0.023 0.000 0.841 105 E CB -0.035 29.678 29.700 0.021 0.000 0.783 105 E HN 0.484 nan 8.360 nan 0.000 0.481 106 L N 1.327 122.570 121.223 0.033 0.000 2.023 106 L HA -0.063 4.276 4.340 -0.003 0.000 0.205 106 L C 2.512 179.376 176.870 -0.010 0.000 1.073 106 L CA 1.826 56.686 54.840 0.033 0.000 0.745 106 L CB -0.552 41.565 42.059 0.096 0.000 0.900 106 L HN -0.067 nan 8.230 nan 0.000 0.435 107 R N -0.174 120.307 120.500 -0.031 0.000 2.091 107 R HA -0.237 4.102 4.340 -0.003 0.000 0.238 107 R C 2.429 178.739 176.300 0.017 0.000 1.136 107 R CA 1.985 58.084 56.100 -0.001 0.000 0.959 107 R CB -0.360 29.943 30.300 0.006 0.000 0.856 107 R HN 0.383 nan 8.270 nan 0.000 0.437 108 K N 0.016 120.424 120.400 0.014 0.000 2.059 108 K HA -0.193 4.126 4.320 -0.003 0.000 0.212 108 K C 1.672 178.275 176.600 0.005 0.000 1.050 108 K CA 2.084 58.378 56.287 0.011 0.000 0.927 108 K CB -0.082 32.425 32.500 0.012 0.000 0.714 108 K HN 0.296 nan 8.250 nan 0.000 0.447 109 N N 0.778 119.472 118.700 -0.010 0.000 2.171 109 N HA -0.150 4.588 4.740 -0.003 0.000 0.184 109 N C 1.731 177.216 175.510 -0.042 0.000 1.021 109 N CA 0.714 53.745 53.050 -0.031 0.000 0.854 109 N CB -0.378 38.070 38.487 -0.064 0.000 0.994 109 N HN 0.091 nan 8.380 nan 0.000 0.426 110 L N 1.499 122.694 121.223 -0.046 0.000 2.013 110 L HA -0.145 4.194 4.340 -0.003 0.000 0.212 110 L C 2.151 179.116 176.870 0.158 0.000 1.073 110 L CA 1.713 56.557 54.840 0.007 0.000 0.753 110 L CB -1.047 41.049 42.059 0.062 0.000 0.890 110 L HN 0.157 nan 8.230 nan 0.000 0.432 111 A N -1.024 121.857 122.820 0.101 0.000 1.898 111 A HA -0.075 4.243 4.320 -0.003 0.000 0.216 111 A C 2.426 180.132 177.584 0.203 0.000 1.181 111 A CA 1.734 53.838 52.037 0.111 0.000 0.620 111 A CB -1.120 17.883 19.000 0.005 0.000 0.819 111 A HN 0.546 nan 8.150 nan 0.000 0.442 112 A N -0.559 122.333 122.820 0.120 0.000 1.978 112 A HA -0.160 4.158 4.320 -0.003 0.000 0.220 112 A C 1.975 179.676 177.584 0.196 0.000 1.170 112 A CA 2.189 54.301 52.037 0.125 0.000 0.636 112 A CB -0.378 18.654 19.000 0.054 0.000 0.810 112 A HN 0.522 nan 8.150 nan 0.000 0.448 113 E N -1.396 118.917 120.200 0.188 0.000 2.076 113 E HA -0.107 4.241 4.350 -0.003 0.000 0.190 113 E C 1.582 178.371 176.600 0.315 0.000 0.979 113 E CA 0.964 57.506 56.400 0.237 0.000 0.807 113 E CB -0.424 29.328 29.700 0.087 0.000 0.761 113 E HN 0.681 nan 8.360 nan 0.000 0.454 114 W N 0.598 121.943 121.300 0.076 0.000 2.315 114 W HA -0.250 4.408 4.660 -0.003 0.000 0.323 114 W C 2.055 178.444 176.519 -0.217 0.000 1.233 114 W CA 2.350 59.455 57.345 -0.401 0.000 1.267 114 W CB -0.713 28.526 29.460 -0.368 0.000 1.160 114 W HN 0.223 nan 8.180 nan 0.000 0.474 115 W N 1.079 122.499 121.300 0.200 0.000 2.290 115 W HA -0.412 4.246 4.660 -0.003 0.000 0.328 115 W C 2.678 179.060 176.519 -0.228 0.000 1.272 115 W CA 3.414 60.796 57.345 0.063 0.000 1.262 115 W CB -1.217 28.305 29.460 0.103 0.000 1.151 115 W HN 0.090 nan 8.180 nan 0.000 0.473 116 T N -2.337 112.167 114.554 -0.083 0.000 2.833 116 T HA -0.217 4.131 4.350 -0.003 0.000 0.269 116 T C 2.001 176.428 174.700 -0.455 0.000 1.054 116 T CA 1.990 63.872 62.100 -0.363 0.000 1.135 116 T CB -0.750 68.010 68.868 -0.180 0.000 0.869 116 T HN 0.115 nan 8.240 nan 0.000 0.466 117 S N -0.087 115.443 115.700 -0.282 0.000 2.419 117 S HA -0.035 4.433 4.470 -0.003 0.000 0.233 117 S C 1.849 176.285 174.600 -0.275 0.000 1.016 117 S CA 1.305 59.389 58.200 -0.194 0.000 0.974 117 S CB -0.374 62.639 63.200 -0.311 0.000 0.786 117 S HN 0.639 nan 8.310 nan 0.000 0.492 118 V N -0.584 118.923 119.914 -0.678 0.000 3.502 118 V HA 0.381 4.499 4.120 -0.003 0.000 0.288 118 V C 0.971 176.643 176.094 -0.702 0.000 1.461 118 V CA 0.640 62.506 62.300 -0.723 0.000 1.029 118 V CB 0.958 32.052 31.823 -1.215 0.000 0.843 118 V HN 0.332 nan 8.190 nan 0.000 0.438 119 V N -0.873 118.553 119.914 -0.814 0.000 3.161 119 V HA 0.176 4.294 4.120 -0.003 0.000 0.221 119 V C 2.184 177.947 176.094 -0.552 0.000 1.296 119 V CA 1.154 62.992 62.300 -0.770 0.000 1.306 119 V CB 0.303 31.315 31.823 -1.351 0.000 1.171 119 V HN 0.144 nan 8.190 nan 0.000 0.513 120 V N 0.731 120.240 119.914 -0.676 0.000 2.708 120 V HA -0.257 3.861 4.120 -0.003 0.000 0.264 120 V C 1.095 176.939 176.094 -0.416 0.000 1.124 120 V CA 2.122 64.099 62.300 -0.537 0.000 1.138 120 V CB -1.300 30.102 31.823 -0.701 0.000 0.706 120 V HN 0.395 nan 8.190 nan 0.000 0.493 121 F N -1.272 118.649 119.950 -0.048 0.000 2.840 121 F HA 0.505 5.030 4.527 -0.003 0.000 0.382 121 F C 0.986 176.786 175.800 0.000 0.000 1.304 121 F CA -1.549 56.450 58.000 -0.003 0.000 1.120 121 F CB 0.056 39.057 39.000 0.002 0.000 1.607 121 F HN -0.112 nan 8.300 nan 0.000 0.482 122 R N 0.929 121.588 120.500 0.265 0.000 2.403 122 R HA -0.201 4.137 4.340 -0.003 0.000 0.234 122 R C -0.981 175.394 176.300 0.124 0.000 0.807 122 R CA 0.182 56.383 56.100 0.168 0.000 0.615 122 R CB -1.584 28.809 30.300 0.154 0.000 1.559 122 R HN 0.450 nan 8.270 nan 0.000 0.538 123 E N 2.359 122.643 120.200 0.139 0.000 2.443 123 E HA -0.087 4.261 4.350 -0.003 0.000 0.310 123 E C 0.423 177.044 176.600 0.035 0.000 1.202 123 E CA 0.459 56.942 56.400 0.140 0.000 1.301 123 E CB 0.189 30.021 29.700 0.219 0.000 1.104 123 E HN 0.723 nan 8.360 nan 0.000 0.487 124 Q N -0.750 119.020 119.800 -0.050 0.000 2.477 124 Q HA 0.124 4.463 4.340 -0.003 0.000 0.252 124 Q C 0.562 176.361 176.000 -0.334 0.000 0.869 124 Q CA 0.055 55.797 55.803 -0.102 0.000 0.969 124 Q CB 0.673 29.537 28.738 0.209 0.000 1.144 124 Q HN 0.062 nan 8.270 nan 0.000 0.577 125 V N 2.639 122.455 119.914 -0.163 0.000 2.508 125 V HA 0.186 4.305 4.120 -0.003 0.000 0.281 125 V C -0.420 175.639 176.094 -0.059 0.000 1.041 125 V CA 0.462 62.678 62.300 -0.141 0.000 1.016 125 V CB -0.152 31.560 31.823 -0.185 0.000 0.984 125 V HN 0.104 nan 8.190 nan 0.000 0.478 126 F N 5.507 125.550 119.950 0.156 0.000 2.532 126 F HA 0.506 5.031 4.527 -0.003 0.000 0.321 126 F C -2.058 173.839 175.800 0.162 0.000 1.089 126 F CA -2.696 55.396 58.000 0.153 0.000 0.926 126 F CB 2.784 41.892 39.000 0.179 0.000 1.168 126 F HN 0.326 nan 8.300 nan 0.000 0.459 127 P HA 0.089 nan 4.420 nan 0.000 0.271 127 P C -1.027 176.399 177.300 0.210 0.000 1.216 127 P CA -0.019 63.317 63.100 0.393 0.000 0.771 127 P CB 2.400 34.337 31.700 0.396 0.000 0.864 128 V N 2.338 122.329 119.914 0.128 0.000 2.914 128 V HA 0.424 4.542 4.120 -0.003 0.000 0.314 128 V C -1.109 174.931 176.094 -0.091 0.000 1.084 128 V CA -0.697 61.557 62.300 -0.077 0.000 0.963 128 V CB 2.211 33.945 31.823 -0.147 0.000 1.025 128 V HN 0.524 nan 8.190 nan 0.000 0.432 129 D N 4.451 124.751 120.400 -0.167 0.000 2.462 129 D HA 0.646 5.284 4.640 -0.003 0.000 0.249 129 D C -0.078 176.237 176.300 0.026 0.000 1.117 129 D CA 0.060 54.037 54.000 -0.040 0.000 0.900 129 D CB 1.169 41.978 40.800 0.015 0.000 1.039 129 D HN 0.912 nan 8.370 nan 0.000 0.516 130 A N 3.873 126.697 122.820 0.008 0.000 2.366 130 A HA 0.473 4.792 4.320 -0.003 0.000 0.272 130 A C 0.250 177.833 177.584 -0.001 0.000 1.135 130 A CA -0.532 51.534 52.037 0.048 0.000 0.804 130 A CB 0.337 19.352 19.000 0.026 0.000 1.064 130 A HN 0.668 nan 8.150 nan 0.000 0.499 131 L N 1.591 122.843 121.223 0.049 0.000 2.473 131 L HA 0.113 4.452 4.340 -0.003 0.000 0.268 131 L C 1.116 178.021 176.870 0.057 0.000 1.215 131 L CA -0.253 54.637 54.840 0.083 0.000 0.823 131 L CB 0.250 42.346 42.059 0.063 0.000 1.099 131 L HN 0.907 nan 8.230 nan 0.000 0.483 132 H N -0.988 118.182 119.070 0.167 0.000 2.502 132 H HA -0.010 4.545 4.556 -0.003 0.000 0.283 132 H C 0.026 175.504 175.328 0.250 0.000 1.015 132 H CA 0.823 57.013 56.048 0.237 0.000 1.298 132 H CB -0.082 29.851 29.762 0.283 0.000 1.411 132 H HN 0.453 nan 8.280 nan 0.000 0.556 133 H N -1.495 117.683 119.070 0.179 0.000 2.759 133 H HA 0.501 5.055 4.556 -0.003 0.000 0.354 133 H C -1.157 174.216 175.328 0.075 0.000 1.074 133 H CA -1.189 54.917 56.048 0.097 0.000 1.226 133 H CB 1.296 31.088 29.762 0.049 0.000 1.648 133 H HN -0.140 nan 8.280 nan 0.000 0.529 134 K N 6.120 126.425 120.400 -0.158 0.000 2.292 134 K HA 0.272 4.590 4.320 -0.003 0.000 0.270 134 K C -1.977 174.556 176.600 -0.112 0.000 1.062 134 K CA -1.749 54.430 56.287 -0.178 0.000 0.916 134 K CB 1.365 33.845 32.500 -0.035 0.000 1.166 134 K HN 0.491 nan 8.250 nan 0.000 0.458 135 P HA 0.053 nan 4.420 nan 0.000 0.336 135 P C 0.295 177.595 177.300 0.001 0.000 1.435 135 P CA -0.028 63.076 63.100 0.006 0.000 0.860 135 P CB 0.009 31.733 31.700 0.039 0.000 2.095 136 G N -0.139 108.668 108.800 0.012 0.000 2.707 136 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.279 136 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.279 136 G C -2.340 172.560 174.900 -0.001 0.000 1.345 136 G CA -0.123 44.980 45.100 0.005 0.000 0.912 136 G HN 0.659 nan 8.290 nan 0.000 0.563 137 P HA 0.432 nan 4.420 nan 0.000 0.271 137 P C -0.631 176.658 177.300 -0.018 0.000 1.216 137 P CA -0.009 63.085 63.100 -0.010 0.000 0.771 137 P CB 1.032 32.728 31.700 -0.007 0.000 0.864 138 L N 3.775 124.983 121.223 -0.026 0.000 2.381 138 L HA 0.297 4.636 4.340 -0.003 0.000 0.268 138 L C 0.227 177.073 176.870 -0.039 0.000 0.997 138 L CA -1.254 53.564 54.840 -0.038 0.000 0.818 138 L CB 1.481 43.514 42.059 -0.044 0.000 1.310 138 L HN 0.306 nan 8.230 nan 0.000 0.416 139 L N 7.131 128.329 121.223 -0.043 0.000 2.825 139 L HA 0.089 4.427 4.340 -0.003 0.000 0.278 139 L C -1.723 175.122 176.870 -0.041 0.000 1.125 139 L CA -0.261 54.558 54.840 -0.035 0.000 1.023 139 L CB -0.515 41.524 42.059 -0.035 0.000 1.377 139 L HN 0.384 nan 8.230 nan 0.000 0.471 140 P HA 0.259 nan 4.420 nan 0.000 0.266 140 P C 0.382 177.656 177.300 -0.043 0.000 1.193 140 P CA 0.863 63.938 63.100 -0.042 0.000 0.770 140 P CB 0.530 32.208 31.700 -0.036 0.000 0.836 141 G N 0.782 109.551 108.800 -0.051 0.000 2.698 141 G HA2 0.057 4.015 3.960 -0.003 0.000 0.225 141 G HA3 0.057 4.015 3.960 -0.003 0.000 0.225 141 G C -0.652 174.212 174.900 -0.060 0.000 1.345 141 G CA 0.374 45.444 45.100 -0.051 0.000 0.871 141 G HN 0.929 nan 8.290 nan 0.000 0.540 142 D N -2.584 117.782 120.400 -0.058 0.000 7.203 142 D HA 0.241 4.879 4.640 -0.003 0.000 0.324 142 D C 0.203 176.452 176.300 -0.086 0.000 2.597 142 D CA 2.153 56.116 54.000 -0.063 0.000 1.714 142 D CB -1.101 39.661 40.800 -0.063 0.000 1.143 142 D HN 1.997 nan 8.370 nan 0.000 1.213 143 S N 0.087 115.732 115.700 -0.092 0.000 2.594 143 S HA 0.887 5.356 4.470 -0.003 0.000 0.322 143 S C -0.232 174.269 174.600 -0.164 0.000 1.085 143 S CA 0.442 58.562 58.200 -0.133 0.000 1.116 143 S CB 1.264 64.403 63.200 -0.103 0.000 0.979 143 S HN 1.136 nan 8.310 nan 0.000 0.465 144 A N 2.652 125.325 122.820 -0.245 0.000 2.765 144 A HA 0.857 5.175 4.320 -0.003 0.000 0.305 144 A C -1.907 175.403 177.584 -0.456 0.000 1.229 144 A CA -0.880 51.014 52.037 -0.240 0.000 0.653 144 A CB 0.525 19.464 19.000 -0.100 0.000 1.375 144 A HN 0.684 nan 8.150 nan 0.000 0.540 145 F N 1.298 121.226 119.950 -0.036 0.000 2.445 145 F HA 0.513 5.039 4.527 -0.003 0.000 0.348 145 F C 0.506 176.267 175.800 -0.065 0.000 1.125 145 F CA -0.525 57.442 58.000 -0.054 0.000 0.983 145 F CB 1.667 40.620 39.000 -0.078 0.000 1.198 145 F HN 0.280 nan 8.300 nan 0.000 0.436 146 R N 4.485 125.029 120.500 0.074 0.000 2.234 146 R HA 0.353 4.691 4.340 -0.003 0.000 0.324 146 R C -0.592 175.723 176.300 0.025 0.000 1.054 146 R CA -0.541 55.573 56.100 0.023 0.000 0.912 146 R CB 0.974 31.256 30.300 -0.029 0.000 1.030 146 R HN 0.700 nan 8.270 nan 0.000 0.455 147 L N 4.335 125.562 121.223 0.006 0.000 2.433 147 L HA 0.163 4.501 4.340 -0.003 0.000 0.284 147 L C 0.106 176.960 176.870 -0.027 0.000 1.120 147 L CA -0.385 54.440 54.840 -0.026 0.000 0.879 147 L CB 0.383 42.410 42.059 -0.054 0.000 1.232 147 L HN 0.111 nan 8.230 nan 0.000 0.454 148 V N 2.423 122.323 119.914 -0.023 0.000 2.509 148 V HA 0.203 4.321 4.120 -0.003 0.000 0.284 148 V C 0.650 176.744 176.094 0.000 0.000 1.047 148 V CA -0.401 61.884 62.300 -0.024 0.000 0.952 148 V CB 1.694 33.505 31.823 -0.020 0.000 0.988 148 V HN 0.735 nan 8.190 nan 0.000 0.469 149 S N 2.926 118.639 115.700 0.021 0.000 2.592 149 S HA 0.461 4.929 4.470 -0.003 0.000 0.271 149 S C 0.966 175.613 174.600 0.078 0.000 1.326 149 S CA 0.108 58.335 58.200 0.044 0.000 1.024 149 S CB 1.532 64.769 63.200 0.062 0.000 0.921 149 S HN 0.983 nan 8.310 nan 0.000 0.527 150 A N 1.250 124.101 122.820 0.051 0.000 2.229 150 A HA 0.267 4.585 4.320 -0.003 0.000 0.211 150 A C 1.255 178.863 177.584 0.040 0.000 1.193 150 A CA -0.082 51.985 52.037 0.050 0.000 0.879 150 A CB -0.160 18.854 19.000 0.023 0.000 0.911 150 A HN 0.679 nan 8.150 nan 0.000 0.492 151 E N -0.336 119.886 120.200 0.037 0.000 2.502 151 E HA 0.048 4.397 4.350 -0.003 0.000 0.194 151 E C 1.118 177.739 176.600 0.035 0.000 1.062 151 E CA 1.210 57.624 56.400 0.025 0.000 0.867 151 E CB 0.123 29.834 29.700 0.019 0.000 0.888 151 E HN 0.467 nan 8.360 nan 0.000 0.510 152 T N -0.460 114.142 114.554 0.079 0.000 2.978 152 T HA 0.135 4.484 4.350 -0.003 0.000 0.248 152 T C 1.247 176.006 174.700 0.098 0.000 1.018 152 T CA -0.181 61.995 62.100 0.126 0.000 1.026 152 T CB 0.176 69.192 68.868 0.246 0.000 1.032 152 T HN 0.003 nan 8.240 nan 0.000 0.485 153 L N 1.162 122.475 121.223 0.150 0.000 2.509 153 L HA 0.346 4.684 4.340 -0.003 0.000 0.222 153 L C 2.308 179.154 176.870 -0.040 0.000 1.123 153 L CA 0.769 55.672 54.840 0.106 0.000 0.856 153 L CB -0.191 41.985 42.059 0.195 0.000 0.985 153 L HN -0.055 nan 8.230 nan 0.000 0.456 154 R N 1.141 121.622 120.500 -0.032 0.000 2.052 154 R HA -0.057 4.281 4.340 -0.003 0.000 0.224 154 R C 0.625 176.878 176.300 -0.077 0.000 1.149 154 R CA 1.226 57.301 56.100 -0.043 0.000 0.962 154 R CB -0.333 29.955 30.300 -0.020 0.000 0.856 154 R HN 0.544 nan 8.270 nan 0.000 0.433 155 E N 0.776 120.924 120.200 -0.087 0.000 2.778 155 E HA 0.047 4.395 4.350 -0.003 0.000 0.318 155 E C 0.781 177.290 176.600 -0.152 0.000 1.309 155 E CA 0.385 56.728 56.400 -0.095 0.000 1.419 155 E CB -0.468 29.189 29.700 -0.072 0.000 1.150 155 E HN 0.449 nan 8.360 nan 0.000 0.492 156 I N -0.958 119.519 120.570 -0.155 0.000 4.305 156 I HA -0.073 4.095 4.170 -0.003 0.000 0.284 156 I C 1.028 177.074 176.117 -0.119 0.000 1.098 156 I CA -0.325 60.863 61.300 -0.187 0.000 1.351 156 I CB -0.125 37.670 38.000 -0.342 0.000 1.881 156 I HN 0.207 nan 8.210 nan 0.000 0.435 157 L N 1.359 122.523 121.223 -0.097 0.000 1.947 157 L HA -0.005 4.333 4.340 -0.003 0.000 0.211 157 L C 1.295 178.138 176.870 -0.045 0.000 1.098 157 L CA 1.792 56.597 54.840 -0.058 0.000 0.767 157 L CB -1.212 40.823 42.059 -0.040 0.000 0.891 157 L HN 0.317 nan 8.230 nan 0.000 0.436 158 Q N 0.412 120.190 119.800 -0.038 0.000 2.516 158 Q HA -0.075 4.263 4.340 -0.003 0.000 0.245 158 Q C 0.233 176.213 176.000 -0.033 0.000 0.958 158 Q CA 0.130 55.915 55.803 -0.030 0.000 0.959 158 Q CB 0.093 28.817 28.738 -0.023 0.000 1.403 158 Q HN 0.414 nan 8.270 nan 0.000 0.405 159 D N 0.051 120.427 120.400 -0.040 0.000 1.979 159 D HA -0.024 4.614 4.640 -0.003 0.000 0.399 159 D C -0.468 175.808 176.300 -0.040 0.000 1.016 159 D CA 0.210 54.185 54.000 -0.041 0.000 0.928 159 D CB 0.572 41.341 40.800 -0.051 0.000 1.739 159 D HN 0.130 nan 8.370 nan 0.000 0.537 160 K N 1.758 122.131 120.400 -0.046 0.000 3.096 160 K HA -0.225 4.093 4.320 -0.003 0.000 0.266 160 K C -0.311 176.264 176.600 -0.042 0.000 1.043 160 K CA 0.718 56.981 56.287 -0.041 0.000 0.758 160 K CB -1.637 30.846 32.500 -0.029 0.000 1.260 160 K HN 0.108 nan 8.250 nan 0.000 0.481 161 E N 1.878 122.045 120.200 -0.055 0.000 1.943 161 E HA 0.012 4.360 4.350 -0.003 0.000 0.254 161 E C 0.911 177.485 176.600 -0.044 0.000 1.239 161 E CA 0.914 57.283 56.400 -0.053 0.000 1.027 161 E CB -0.461 29.196 29.700 -0.072 0.000 1.087 161 E HN 0.391 nan 8.360 nan 0.000 0.437 162 L N 1.460 122.664 121.223 -0.032 0.000 3.530 162 L HA -0.550 3.788 4.340 -0.003 0.000 0.357 162 L C 1.653 178.509 176.870 -0.024 0.000 2.051 162 L CA 1.206 56.032 54.840 -0.024 0.000 2.804 162 L CB -2.144 39.902 42.059 -0.021 0.000 1.640 162 L HN 0.619 nan 8.230 nan 0.000 0.757 163 S N -0.954 114.728 115.700 -0.031 0.000 4.110 163 S HA -0.413 4.055 4.470 -0.003 0.000 0.573 163 S C 1.026 175.617 174.600 -0.015 0.000 1.936 163 S CA 2.319 60.502 58.200 -0.027 0.000 4.227 163 S CB -0.671 62.512 63.200 -0.028 0.000 0.327 163 S HN 0.569 nan 8.310 nan 0.000 0.532 164 K N 0.676 121.069 120.400 -0.012 0.000 2.158 164 K HA -0.297 4.021 4.320 -0.003 0.000 0.151 164 K C 0.176 176.774 176.600 -0.003 0.000 0.850 164 K CA 2.314 58.597 56.287 -0.006 0.000 0.360 164 K CB -0.952 31.544 32.500 -0.006 0.000 0.730 164 K HN 0.748 nan 8.250 nan 0.000 0.797 165 E N 2.004 122.203 120.200 -0.002 0.000 2.026 165 E HA 0.136 4.484 4.350 -0.003 0.000 0.253 165 E C 0.263 176.865 176.600 0.003 0.000 1.056 165 E CA -0.008 56.393 56.400 0.002 0.000 0.927 165 E CB 0.898 30.599 29.700 0.002 0.000 1.172 165 E HN 0.282 nan 8.360 nan 0.000 0.445 166 Q N 0.562 120.365 119.800 0.006 0.000 2.172 166 Q HA 0.091 4.429 4.340 -0.003 0.000 0.159 166 Q C -0.153 175.861 176.000 0.022 0.000 0.653 166 Q CA -0.379 55.429 55.803 0.009 0.000 0.896 166 Q CB 0.469 29.205 28.738 -0.003 0.000 1.149 166 Q HN 0.317 nan 8.270 nan 0.000 0.333 167 L N 3.091 124.325 121.223 0.018 0.000 2.700 167 L HA -0.027 4.311 4.340 -0.003 0.000 0.272 167 L C 0.850 177.754 176.870 0.057 0.000 1.176 167 L CA 1.178 56.044 54.840 0.042 0.000 0.961 167 L CB 0.463 42.538 42.059 0.027 0.000 1.249 167 L HN 0.413 nan 8.230 nan 0.000 0.487 168 V N 2.388 122.352 119.914 0.084 0.000 5.814 168 V HA -0.177 3.941 4.120 -0.003 0.000 0.910 168 V C 1.311 177.445 176.094 0.066 0.000 2.614 168 V CA 1.222 63.561 62.300 0.064 0.000 4.470 168 V CB -0.333 31.513 31.823 0.037 0.000 0.700 168 V HN 0.804 nan 8.190 nan 0.000 0.605 169 T N 0.109 114.719 114.554 0.092 0.000 3.044 169 T HA 0.156 4.505 4.350 -0.003 0.000 0.255 169 T C 1.100 175.878 174.700 0.131 0.000 1.073 169 T CA 1.465 63.616 62.100 0.085 0.000 1.125 169 T CB 0.027 68.942 68.868 0.079 0.000 0.908 169 T HN 0.509 nan 8.240 nan 0.000 0.480 170 F N 2.401 122.350 119.950 -0.003 0.000 2.037 170 F HA 0.123 4.648 4.527 -0.003 0.000 0.291 170 F C 1.872 177.670 175.800 -0.004 0.000 1.137 170 F CA 0.715 58.713 58.000 -0.003 0.000 1.178 170 F CB -0.613 38.386 39.000 -0.003 0.000 0.995 170 F HN -0.088 nan 8.300 nan 0.000 0.472 171 L N 0.689 121.940 121.223 0.048 0.000 2.263 171 L HA -0.231 4.107 4.340 -0.003 0.000 0.216 171 L C 2.214 179.033 176.870 -0.085 0.000 1.111 171 L CA 1.941 56.742 54.840 -0.066 0.000 0.773 171 L CB -1.380 40.693 42.059 0.024 0.000 0.906 171 L HN 0.464 nan 8.230 nan 0.000 0.439 172 E N 0.430 120.603 120.200 -0.044 0.000 2.038 172 E HA -0.211 4.137 4.350 -0.003 0.000 0.190 172 E C 1.784 178.344 176.600 -0.067 0.000 0.967 172 E CA 0.838 57.214 56.400 -0.039 0.000 0.816 172 E CB -0.018 29.679 29.700 -0.004 0.000 0.784 172 E HN 0.348 nan 8.360 nan 0.000 0.456 173 N N 0.185 118.850 118.700 -0.058 0.000 2.430 173 N HA -0.140 4.599 4.740 -0.003 0.000 0.186 173 N C 1.613 177.042 175.510 -0.135 0.000 1.032 173 N CA 0.948 53.959 53.050 -0.065 0.000 0.893 173 N CB 0.034 38.513 38.487 -0.013 0.000 0.957 173 N HN 0.047 nan 8.380 nan 0.000 0.442 174 V N 0.349 120.122 119.914 -0.235 0.000 2.244 174 V HA -0.167 3.952 4.120 -0.003 0.000 0.244 174 V C 2.144 178.140 176.094 -0.163 0.000 1.042 174 V CA 1.083 63.211 62.300 -0.286 0.000 1.006 174 V CB -0.529 31.048 31.823 -0.409 0.000 0.641 174 V HN 0.377 nan 8.190 nan 0.000 0.446 175 L N -0.234 120.912 121.223 -0.129 0.000 2.351 175 L HA -0.167 4.171 4.340 -0.003 0.000 0.220 175 L C 2.289 179.117 176.870 -0.070 0.000 1.127 175 L CA 1.787 56.573 54.840 -0.090 0.000 0.786 175 L CB -1.304 40.709 42.059 -0.076 0.000 0.914 175 L HN 0.389 nan 8.230 nan 0.000 0.443 176 K N -0.765 119.594 120.400 -0.069 0.000 2.161 176 K HA 0.064 4.383 4.320 -0.003 0.000 0.205 176 K C 2.002 178.577 176.600 -0.042 0.000 1.035 176 K CA 0.981 57.240 56.287 -0.047 0.000 0.970 176 K CB -0.248 32.229 32.500 -0.037 0.000 0.866 176 K HN 0.139 nan 8.250 nan 0.000 0.461 177 T N 1.467 115.991 114.554 -0.051 0.000 2.867 177 T HA -0.076 4.273 4.350 -0.003 0.000 0.268 177 T C 1.244 175.924 174.700 -0.033 0.000 1.057 177 T CA 0.604 62.682 62.100 -0.036 0.000 1.136 177 T CB -0.157 68.687 68.868 -0.040 0.000 0.874 177 T HN 0.123 nan 8.240 nan 0.000 0.466 178 S N 0.700 116.366 115.700 -0.056 0.000 2.560 178 S HA 0.419 4.887 4.470 -0.003 0.000 0.284 178 S C 0.758 175.354 174.600 -0.007 0.000 1.327 178 S CA -0.543 57.632 58.200 -0.042 0.000 1.055 178 S CB 0.293 63.450 63.200 -0.072 0.000 0.868 178 S HN 0.455 nan 8.310 nan 0.000 0.506 179 G N 2.706 111.522 108.800 0.028 0.000 2.580 179 G HA2 0.556 4.515 3.960 -0.003 0.000 0.278 179 G HA3 0.556 4.515 3.960 -0.003 0.000 0.278 179 G C -0.860 174.077 174.900 0.062 0.000 1.212 179 G CA -0.770 44.377 45.100 0.080 0.000 0.939 179 G HN 0.884 nan 8.290 nan 0.000 0.513 180 K N -0.748 119.702 120.400 0.084 0.000 2.464 180 K HA 0.551 4.869 4.320 -0.003 0.000 0.253 180 K C -1.184 175.479 176.600 0.105 0.000 0.933 180 K CA -0.930 55.397 56.287 0.065 0.000 0.801 180 K CB 2.036 34.547 32.500 0.018 0.000 1.271 180 K HN 0.299 nan 8.250 nan 0.000 0.430 181 L N 3.785 125.064 121.223 0.092 0.000 2.290 181 L HA 0.336 4.675 4.340 -0.003 0.000 0.284 181 L C 0.330 177.323 176.870 0.206 0.000 1.078 181 L CA -0.848 54.046 54.840 0.091 0.000 0.815 181 L CB 0.868 42.793 42.059 -0.223 0.000 1.162 181 L HN 0.743 nan 8.230 nan 0.000 0.435 182 R N 0.955 121.606 120.500 0.250 0.000 2.566 182 R HA -0.104 4.234 4.340 -0.003 0.000 0.273 182 R C 0.482 176.846 176.300 0.106 0.000 0.981 182 R CA 0.107 56.300 56.100 0.155 0.000 1.091 182 R CB 0.319 30.686 30.300 0.113 0.000 0.924 182 R HN 0.604 nan 8.270 nan 0.000 0.411 183 E N 1.646 121.831 120.200 -0.025 0.000 2.276 183 E HA -0.031 4.318 4.350 -0.003 0.000 0.193 183 E C -0.620 175.872 176.600 -0.180 0.000 0.983 183 E CA 0.922 57.201 56.400 -0.201 0.000 0.861 183 E CB 0.298 29.921 29.700 -0.129 0.000 0.817 183 E HN 0.882 nan 8.360 nan 0.000 0.485 184 N N -2.277 116.401 118.700 -0.037 0.000 3.039 184 N HA 0.194 4.932 4.740 -0.003 0.000 0.257 184 N C -0.342 175.182 175.510 0.024 0.000 1.497 184 N CA -0.651 52.413 53.050 0.023 0.000 0.861 184 N CB 0.358 38.878 38.487 0.055 0.000 1.479 184 N HN -0.076 nan 8.380 nan 0.000 0.547 185 L N -0.151 121.086 121.223 0.023 0.000 2.554 185 L HA 0.303 4.641 4.340 -0.003 0.000 0.225 185 L C 1.612 178.508 176.870 0.044 0.000 1.104 185 L CA -0.083 54.766 54.840 0.015 0.000 0.866 185 L CB -0.226 41.822 42.059 -0.019 0.000 1.047 185 L HN 0.521 nan 8.230 nan 0.000 0.468 186 L N 0.225 121.480 121.223 0.054 0.000 2.012 186 L HA -0.275 4.063 4.340 -0.003 0.000 0.210 186 L C 2.589 179.518 176.870 0.099 0.000 1.073 186 L CA 2.049 56.925 54.840 0.060 0.000 0.748 186 L CB -0.454 41.639 42.059 0.057 0.000 0.891 186 L HN 0.238 nan 8.230 nan 0.000 0.431 187 H N -0.807 118.272 119.070 0.015 0.000 2.319 187 H HA -0.087 4.467 4.556 -0.003 0.000 0.299 187 H C 2.071 177.429 175.328 0.049 0.000 1.092 187 H CA 1.845 57.897 56.048 0.007 0.000 1.302 187 H CB -0.646 29.102 29.762 -0.023 0.000 1.373 187 H HN 0.421 nan 8.280 nan 0.000 0.497 188 G N -0.400 108.459 108.800 0.098 0.000 2.462 188 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.220 188 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.220 188 G C 1.814 176.828 174.900 0.191 0.000 1.121 188 G CA 0.883 46.046 45.100 0.104 0.000 0.758 188 G HN 0.614 nan 8.290 nan 0.000 0.559 189 A N 0.835 123.747 122.820 0.153 0.000 1.840 189 A HA 0.155 4.474 4.320 -0.003 0.000 0.214 189 A C 2.397 180.185 177.584 0.339 0.000 1.198 189 A CA 1.130 53.303 52.037 0.227 0.000 0.608 189 A CB -0.479 18.610 19.000 0.148 0.000 0.839 189 A HN 0.308 nan 8.150 nan 0.000 0.443 190 L N -0.162 121.213 121.223 0.252 0.000 2.081 190 L HA -0.218 4.120 4.340 -0.003 0.000 0.212 190 L C 1.919 178.935 176.870 0.243 0.000 1.080 190 L CA 1.503 56.517 54.840 0.290 0.000 0.754 190 L CB -0.844 41.281 42.059 0.110 0.000 0.893 190 L HN 0.474 nan 8.230 nan 0.000 0.433 191 E N -0.928 119.313 120.200 0.069 0.000 2.520 191 E HA -0.116 4.232 4.350 -0.003 0.000 0.201 191 E C 1.062 177.669 176.600 0.011 0.000 1.122 191 E CA 0.163 56.578 56.400 0.024 0.000 0.896 191 E CB 0.020 29.641 29.700 -0.131 0.000 0.891 191 E HN 0.552 nan 8.360 nan 0.000 0.533 192 H N -2.240 116.937 119.070 0.179 0.000 3.643 192 H HA -0.010 4.545 4.556 -0.003 0.000 0.256 192 H C 1.185 176.608 175.328 0.157 0.000 1.107 192 H CA -0.110 56.033 56.048 0.158 0.000 1.175 192 H CB 0.330 30.199 29.762 0.178 0.000 1.519 192 H HN 0.198 nan 8.280 nan 0.000 0.565 193 Y N 2.624 123.024 120.300 0.166 0.000 1.956 193 Y HA -0.332 4.216 4.550 -0.003 0.000 0.258 193 Y C 2.325 178.185 175.900 -0.067 0.000 1.152 193 Y CA 2.176 60.221 58.100 -0.093 0.000 1.093 193 Y CB -0.775 37.446 38.460 -0.397 0.000 0.945 193 Y HN -0.138 nan 8.280 nan 0.000 0.488 194 V N 1.460 121.158 119.914 -0.359 0.000 2.278 194 V HA -0.402 3.716 4.120 -0.003 0.000 0.251 194 V C 2.498 178.401 176.094 -0.318 0.000 1.062 194 V CA 2.408 64.427 62.300 -0.467 0.000 1.038 194 V CB -0.917 30.637 31.823 -0.448 0.000 0.646 194 V HN 0.588 nan 8.190 nan 0.000 0.447 195 N N -0.688 117.910 118.700 -0.170 0.000 2.216 195 N HA -0.132 4.607 4.740 -0.003 0.000 0.183 195 N C 1.394 176.861 175.510 -0.071 0.000 1.017 195 N CA 1.655 54.644 53.050 -0.102 0.000 0.861 195 N CB -0.132 38.325 38.487 -0.050 0.000 0.986 195 N HN 0.482 nan 8.380 nan 0.000 0.428 196 C N 1.011 120.305 119.300 -0.010 0.000 2.449 196 C HA 0.185 4.643 4.460 -0.003 0.000 0.322 196 C C 2.112 176.989 174.990 -0.188 0.000 1.309 196 C CA -0.504 58.537 59.018 0.038 0.000 1.657 196 C CB -1.630 26.285 27.740 0.291 0.000 1.718 196 C HN 0.372 nan 8.230 nan 0.000 0.596 197 L N 0.962 121.999 121.223 -0.311 0.000 2.145 197 L HA 0.184 4.522 4.340 -0.003 0.000 0.201 197 L C 1.291 177.984 176.870 -0.296 0.000 1.075 197 L CA 1.768 56.343 54.840 -0.443 0.000 0.773 197 L CB -0.356 41.402 42.059 -0.503 0.000 0.936 197 L HN 0.186 nan 8.230 nan 0.000 0.451 198 D N -0.432 119.847 120.400 -0.202 0.000 2.767 198 D HA 0.062 4.700 4.640 -0.003 0.000 0.231 198 D C 0.560 176.797 176.300 -0.105 0.000 1.105 198 D CA 0.346 54.266 54.000 -0.134 0.000 1.024 198 D CB -0.212 40.526 40.800 -0.104 0.000 1.123 198 D HN 0.123 nan 8.370 nan 0.000 0.470 199 L N 1.745 122.898 121.223 -0.117 0.000 3.826 199 L HA 0.170 4.509 4.340 -0.003 0.000 0.362 199 L C -0.310 176.565 176.870 0.008 0.000 1.235 199 L CA 0.054 54.871 54.840 -0.039 0.000 1.207 199 L CB 1.021 43.087 42.059 0.012 0.000 1.518 199 L HN 0.135 nan 8.230 nan 0.000 0.628 200 V N -3.503 116.354 119.914 -0.096 0.000 4.919 200 V HA 0.327 4.446 4.120 -0.003 0.000 0.809 200 V C -0.116 175.919 176.094 -0.099 0.000 2.328 200 V CA -0.424 61.823 62.300 -0.088 0.000 3.696 200 V CB -0.717 30.995 31.823 -0.186 0.000 0.914 200 V HN 0.237 nan 8.190 nan 0.000 0.648 201 N N 2.417 121.068 118.700 -0.082 0.000 2.696 201 N HA -0.237 4.502 4.740 -0.003 0.000 0.271 201 N C 0.623 176.092 175.510 -0.068 0.000 0.997 201 N CA 1.431 54.442 53.050 -0.065 0.000 0.801 201 N CB -0.541 37.926 38.487 -0.034 0.000 0.913 201 N HN 0.895 nan 8.380 nan 0.000 0.557 202 K N -2.030 118.306 120.400 -0.107 0.000 2.971 202 K HA -0.264 4.054 4.320 -0.003 0.000 0.265 202 K C 0.026 176.610 176.600 -0.028 0.000 1.052 202 K CA 1.022 57.263 56.287 -0.078 0.000 0.780 202 K CB -1.053 31.429 32.500 -0.031 0.000 1.214 202 K HN 0.556 nan 8.250 nan 0.000 0.478 203 R N 0.800 121.271 120.500 -0.048 0.000 2.216 203 R HA 0.333 4.672 4.340 -0.003 0.000 0.332 203 R C 0.119 176.448 176.300 0.048 0.000 1.056 203 R CA -0.416 55.685 56.100 0.002 0.000 0.901 203 R CB 0.491 30.789 30.300 -0.002 0.000 1.039 203 R HN 0.099 nan 8.270 nan 0.000 0.456 204 L N 4.781 126.047 121.223 0.073 0.000 2.344 204 L HA 0.593 4.931 4.340 -0.003 0.000 0.272 204 L C -1.878 174.985 176.870 -0.013 0.000 1.035 204 L CA -2.231 52.643 54.840 0.057 0.000 0.807 204 L CB 1.141 43.236 42.059 0.061 0.000 1.237 204 L HN 0.382 nan 8.230 nan 0.000 0.442 205 P HA 0.356 nan 4.420 nan 0.000 0.287 205 P C -1.871 175.096 177.300 -0.554 0.000 1.270 205 P CA -0.402 62.343 63.100 -0.592 0.000 0.844 205 P CB 1.420 32.357 31.700 -1.272 0.000 1.068 206 Y N -1.101 118.818 120.300 -0.634 0.000 2.519 206 Y HA 0.728 5.276 4.550 -0.003 0.000 0.336 206 Y C -0.756 175.183 175.900 0.065 0.000 1.089 206 Y CA -0.959 57.004 58.100 -0.228 0.000 1.025 206 Y CB 1.010 39.381 38.460 -0.148 0.000 1.318 206 Y HN 0.598 nan 8.280 nan 0.000 0.452 207 G N 2.819 111.799 108.800 0.301 0.000 2.597 207 G HA2 0.672 4.631 3.960 -0.003 0.000 0.317 207 G HA3 0.672 4.631 3.960 -0.003 0.000 0.317 207 G C -1.820 173.121 174.900 0.069 0.000 1.230 207 G CA -1.343 43.845 45.100 0.147 0.000 0.996 207 G HN 0.765 nan 8.290 nan 0.000 0.490 208 L N 1.108 122.345 121.223 0.024 0.000 2.388 208 L HA 0.543 4.881 4.340 -0.003 0.000 0.267 208 L C 0.443 177.341 176.870 0.047 0.000 0.995 208 L CA -0.771 54.144 54.840 0.125 0.000 0.864 208 L CB 1.341 43.530 42.059 0.216 0.000 1.216 208 L HN 0.650 nan 8.230 nan 0.000 0.430 209 A N 3.535 126.397 122.820 0.071 0.000 2.271 209 A HA 0.776 5.095 4.320 -0.003 0.000 0.288 209 A C -0.521 177.220 177.584 0.260 0.000 1.094 209 A CA -0.220 51.883 52.037 0.110 0.000 0.828 209 A CB 1.673 20.626 19.000 -0.078 0.000 1.091 209 A HN 0.731 nan 8.150 nan 0.000 0.493 210 Q N -0.100 119.860 119.800 0.268 0.000 2.574 210 Q HA 0.498 4.836 4.340 -0.003 0.000 0.265 210 Q C -2.327 173.664 176.000 -0.016 0.000 0.975 210 Q CA -0.414 55.486 55.803 0.163 0.000 0.923 210 Q CB 1.373 30.139 28.738 0.047 0.000 1.518 210 Q HN 0.697 nan 8.270 nan 0.000 0.401 211 I N 3.008 123.531 120.570 -0.077 0.000 2.439 211 I HA 0.766 4.935 4.170 -0.003 0.000 0.283 211 I C -0.020 176.005 176.117 -0.152 0.000 1.023 211 I CA -0.464 60.704 61.300 -0.220 0.000 1.100 211 I CB 1.727 39.573 38.000 -0.256 0.000 1.238 211 I HN 0.757 nan 8.210 nan 0.000 0.445 212 G N 4.776 113.492 108.800 -0.141 0.000 2.606 212 G HA2 0.566 4.525 3.960 -0.003 0.000 0.300 212 G HA3 0.566 4.525 3.960 -0.003 0.000 0.300 212 G C -1.604 173.232 174.900 -0.105 0.000 1.360 212 G CA -0.448 44.590 45.100 -0.104 0.000 0.783 212 G HN 0.171 nan 8.290 nan 0.000 0.484 213 V N -0.375 119.475 119.914 -0.107 0.000 2.509 213 V HA 0.515 4.633 4.120 -0.003 0.000 0.284 213 V C -0.082 175.799 176.094 -0.354 0.000 1.047 213 V CA -0.417 61.755 62.300 -0.213 0.000 0.952 213 V CB 0.851 32.524 31.823 -0.250 0.000 0.988 213 V HN 0.855 nan 8.190 nan 0.000 0.469 214 C N 4.503 123.593 119.300 -0.350 0.000 2.561 214 C HA 0.712 5.170 4.460 -0.003 0.000 0.319 214 C C -0.559 174.201 174.990 -0.385 0.000 1.198 214 C CA -0.933 57.907 59.018 -0.296 0.000 1.665 214 C CB 1.118 28.853 27.740 -0.009 0.000 2.258 214 C HN 0.700 nan 8.230 nan 0.000 0.493 215 F N 1.727 121.666 119.950 -0.018 0.000 2.402 215 F HA 0.482 5.007 4.527 -0.003 0.000 0.355 215 F C 0.363 176.181 175.800 0.030 0.000 1.123 215 F CA -0.369 57.667 58.000 0.060 0.000 1.021 215 F CB 0.353 39.354 39.000 0.002 0.000 1.160 215 F HN 0.578 nan 8.300 nan 0.000 0.451 216 H N 2.379 121.619 119.070 0.283 0.000 2.569 216 H HA 0.466 5.020 4.556 -0.003 0.000 0.357 216 H C -2.580 172.953 175.328 0.342 0.000 1.153 216 H CA -2.583 53.625 56.048 0.267 0.000 1.193 216 H CB 1.264 31.113 29.762 0.145 0.000 1.602 216 H HN 0.312 nan 8.280 nan 0.000 0.523 217 P HA 0.100 nan 4.420 nan 0.000 0.278 217 P C -0.379 177.056 177.300 0.225 0.000 1.238 217 P CA -0.253 63.085 63.100 0.396 0.000 0.794 217 P CB 1.506 33.261 31.700 0.092 0.000 0.955 230 S N 1.361 117.147 115.700 0.144 0.000 2.475 230 S HA 0.482 4.951 4.470 -0.003 0.000 0.298 230 S C 0.395 175.092 174.600 0.162 0.000 1.119 230 S CA -0.786 57.483 58.200 0.116 0.000 1.085 230 S CB 0.669 63.904 63.200 0.058 0.000 1.028 230 S HN 0.351 nan 8.310 nan 0.000 0.489 231 I N 1.739 122.321 120.570 0.020 0.000 3.381 231 I HA 0.304 4.473 4.170 -0.003 0.000 0.275 231 I C 1.029 177.163 176.117 0.028 0.000 1.252 231 I CA 0.248 61.472 61.300 -0.127 0.000 1.292 231 I CB 0.473 38.226 38.000 -0.411 0.000 1.396 231 I HN 0.729 nan 8.210 nan 0.000 0.637 232 G N 2.857 111.711 108.800 0.090 0.000 2.417 232 G HA2 0.338 4.296 3.960 -0.003 0.000 0.282 232 G HA3 0.338 4.296 3.960 -0.003 0.000 0.282 232 G C -1.235 173.728 174.900 0.105 0.000 1.388 232 G CA -0.499 44.652 45.100 0.085 0.000 1.276 232 G HN 0.560 nan 8.290 nan 0.000 0.602 233 E N 1.790 121.978 120.200 -0.019 0.000 2.227 233 E HA 0.437 4.786 4.350 -0.003 0.000 0.282 233 E C -0.369 176.157 176.600 -0.123 0.000 1.015 233 E CA -0.308 56.030 56.400 -0.103 0.000 0.823 233 E CB 1.697 31.316 29.700 -0.136 0.000 1.081 233 E HN 0.256 nan 8.360 nan 0.000 0.396 234 K N 1.893 122.238 120.400 -0.092 0.000 2.468 234 K HA 0.313 4.631 4.320 -0.003 0.000 0.252 234 K C -1.022 175.553 176.600 -0.042 0.000 0.932 234 K CA -0.729 55.534 56.287 -0.041 0.000 0.794 234 K CB 2.318 34.788 32.500 -0.050 0.000 1.241 234 K HN 0.335 nan 8.250 nan 0.000 0.428 235 T N 2.738 117.296 114.554 0.006 0.000 2.727 235 T HA 0.182 4.531 4.350 -0.003 0.000 0.298 235 T C -0.362 174.325 174.700 -0.023 0.000 0.942 235 T CA -0.281 61.811 62.100 -0.013 0.000 0.997 235 T CB 0.354 69.242 68.868 0.034 0.000 0.917 235 T HN 0.348 nan 8.240 nan 0.000 0.487 236 E N 1.684 121.848 120.200 -0.059 0.000 2.191 236 E HA 0.631 4.980 4.350 -0.003 0.000 0.274 236 E C -0.628 175.852 176.600 -0.200 0.000 0.948 236 E CA -0.897 55.455 56.400 -0.081 0.000 0.802 236 E CB 1.696 31.384 29.700 -0.019 0.000 1.137 236 E HN 0.629 nan 8.360 nan 0.000 0.397 237 A N 2.063 124.682 122.820 -0.336 0.000 2.288 237 A HA 0.572 4.890 4.320 -0.003 0.000 0.320 237 A C -0.491 176.815 177.584 -0.464 0.000 1.217 237 A CA -0.541 51.071 52.037 -0.709 0.000 0.840 237 A CB 0.985 19.094 19.000 -1.484 0.000 1.179 237 A HN 0.492 nan 8.150 nan 0.000 0.504 238 S N 2.219 117.732 115.700 -0.312 0.000 2.549 238 S HA 0.713 5.182 4.470 -0.003 0.000 0.280 238 S C -1.281 173.341 174.600 0.036 0.000 1.109 238 S CA -0.609 57.550 58.200 -0.068 0.000 0.905 238 S CB 1.498 64.667 63.200 -0.052 0.000 1.081 238 S HN 1.575 nan 8.310 nan 0.000 0.477 239 L N 3.259 124.459 121.223 -0.037 0.000 2.356 239 L HA 0.770 5.109 4.340 -0.003 0.000 0.277 239 L C -1.494 175.196 176.870 -0.299 0.000 0.996 239 L CA -0.532 54.175 54.840 -0.221 0.000 0.822 239 L CB 1.790 43.518 42.059 -0.550 0.000 1.256 239 L HN 0.616 nan 8.230 nan 0.000 0.413 240 V N 5.730 125.471 119.914 -0.290 0.000 2.275 240 V HA 0.217 4.335 4.120 -0.003 0.000 0.272 240 V C -0.679 175.088 176.094 -0.545 0.000 1.028 240 V CA -0.386 61.671 62.300 -0.405 0.000 0.810 240 V CB 1.010 32.600 31.823 -0.388 0.000 1.043 240 V HN 0.822 nan 8.190 nan 0.000 0.453 241 W N 6.056 126.916 121.300 -0.733 0.000 2.342 241 W HA 0.489 5.148 4.660 -0.003 0.000 0.310 241 W C -1.044 175.099 176.519 -0.627 0.000 1.128 241 W CA -0.785 56.172 57.345 -0.646 0.000 1.322 241 W CB 0.828 29.984 29.460 -0.506 0.000 1.251 241 W HN 0.402 nan 8.180 nan 0.000 0.439 242 F N 3.765 123.452 119.950 -0.437 0.000 2.394 242 F HA 0.373 4.898 4.527 -0.003 0.000 0.340 242 F C 0.942 176.395 175.800 -0.577 0.000 1.105 242 F CA -0.060 57.680 58.000 -0.434 0.000 1.124 242 F CB 1.444 40.206 39.000 -0.397 0.000 1.145 242 F HN 0.102 nan 8.300 nan 0.000 0.505 243 T N 0.884 115.330 114.554 -0.180 0.000 2.792 243 T HA 0.573 4.921 4.350 -0.003 0.000 0.303 243 T C -3.270 171.441 174.700 0.018 0.000 1.310 243 T CA -2.297 59.691 62.100 -0.186 0.000 1.007 243 T CB 2.309 71.064 68.868 -0.188 0.000 1.335 243 T HN 0.232 nan 8.240 nan 0.000 0.504 244 P HA 0.329 nan 4.420 nan 0.000 0.278 244 P C -2.258 175.114 177.300 0.120 0.000 1.238 244 P CA -1.461 61.699 63.100 0.100 0.000 0.794 244 P CB 0.743 32.507 31.700 0.106 0.000 0.955 245 P HA -0.155 nan 4.420 nan 0.000 0.216 245 P C 1.792 179.153 177.300 0.101 0.000 1.153 245 P CA 1.531 64.692 63.100 0.101 0.000 0.858 245 P CB -0.159 31.591 31.700 0.084 0.000 0.789 246 R N -0.085 120.468 120.500 0.088 0.000 2.136 246 R HA -0.176 4.162 4.340 -0.003 0.000 0.242 246 R C 1.272 177.617 176.300 0.075 0.000 1.131 246 R CA 2.909 59.052 56.100 0.071 0.000 0.937 246 R CB -1.128 29.209 30.300 0.062 0.000 0.863 246 R HN 0.212 nan 8.270 nan 0.000 0.435 247 T N -1.332 113.288 114.554 0.109 0.000 3.086 247 T HA 0.099 4.447 4.350 -0.003 0.000 0.250 247 T C 1.533 176.357 174.700 0.207 0.000 1.074 247 T CA 0.371 62.529 62.100 0.096 0.000 0.988 247 T CB 0.404 69.304 68.868 0.052 0.000 0.988 247 T HN 0.215 nan 8.240 nan 0.000 0.530 248 S N 3.335 119.173 115.700 0.229 0.000 2.381 248 S HA -0.305 4.163 4.470 -0.003 0.000 0.230 248 S C 2.287 177.044 174.600 0.262 0.000 1.052 248 S CA 2.174 60.531 58.200 0.263 0.000 1.068 248 S CB -0.551 62.758 63.200 0.181 0.000 0.918 248 S HN 0.821 nan 8.310 nan 0.000 0.448 249 N N 0.563 119.367 118.700 0.173 0.000 2.106 249 N HA -0.187 4.552 4.740 -0.003 0.000 0.188 249 N C 1.907 177.498 175.510 0.134 0.000 1.029 249 N CA 1.597 54.733 53.050 0.144 0.000 0.848 249 N CB -1.033 37.509 38.487 0.092 0.000 1.007 249 N HN 0.462 nan 8.380 nan 0.000 0.423 250 Q N 0.635 120.471 119.800 0.059 0.000 1.985 250 Q HA -0.135 4.203 4.340 -0.003 0.000 0.207 250 Q C 1.918 177.930 176.000 0.020 0.000 0.996 250 Q CA 2.294 58.061 55.803 -0.061 0.000 0.851 250 Q CB -0.631 27.952 28.738 -0.258 0.000 0.921 250 Q HN 0.547 nan 8.270 nan 0.000 0.418 251 W N 0.111 121.541 121.300 0.216 0.000 2.315 251 W HA -0.258 4.400 4.660 -0.003 0.000 0.323 251 W C 2.139 178.887 176.519 0.381 0.000 1.233 251 W CA 0.828 58.387 57.345 0.356 0.000 1.267 251 W CB -0.649 29.149 29.460 0.563 0.000 1.160 251 W HN 0.266 nan 8.180 nan 0.000 0.474 252 L N 1.047 122.629 121.223 0.599 0.000 2.064 252 L HA -0.285 4.054 4.340 -0.003 0.000 0.216 252 L C 1.579 178.640 176.870 0.317 0.000 1.077 252 L CA 2.311 57.413 54.840 0.437 0.000 0.766 252 L CB -1.265 40.968 42.059 0.291 0.000 0.890 252 L HN 0.113 nan 8.230 nan 0.000 0.435 253 D N -0.793 119.752 120.400 0.241 0.000 2.117 253 D HA -0.239 4.399 4.640 -0.003 0.000 0.197 253 D C 2.014 178.418 176.300 0.172 0.000 0.987 253 D CA 1.192 55.290 54.000 0.163 0.000 0.829 253 D CB -0.432 40.435 40.800 0.112 0.000 0.961 253 D HN 0.359 nan 8.370 nan 0.000 0.460 254 F N 0.591 120.549 119.950 0.013 0.000 2.102 254 F HA -0.147 4.378 4.527 -0.003 0.000 0.298 254 F C 2.031 177.764 175.800 -0.113 0.000 1.105 254 F CA 1.162 59.097 58.000 -0.108 0.000 1.239 254 F CB -0.727 38.131 39.000 -0.236 0.000 0.991 254 F HN -0.032 nan 8.300 nan 0.000 0.474 255 W N 0.165 121.434 121.300 -0.052 0.000 2.333 255 W HA -0.225 4.433 4.660 -0.003 0.000 0.316 255 W C 2.421 178.870 176.519 -0.117 0.000 1.215 255 W CA 1.155 58.367 57.345 -0.223 0.000 1.278 255 W CB -1.037 28.340 29.460 -0.138 0.000 1.154 255 W HN 0.128 nan 8.180 nan 0.000 0.486 256 L N 2.098 123.434 121.223 0.188 0.000 1.997 256 L HA -0.288 4.050 4.340 -0.003 0.000 0.216 256 L C 2.500 179.428 176.870 0.096 0.000 1.074 256 L CA 2.631 57.549 54.840 0.130 0.000 0.763 256 L CB -1.076 41.037 42.059 0.090 0.000 0.890 256 L HN 0.121 nan 8.230 nan 0.000 0.434 257 R N -1.697 118.823 120.500 0.033 0.000 2.073 257 R HA -0.209 4.129 4.340 -0.003 0.000 0.234 257 R C 2.429 178.705 176.300 -0.041 0.000 1.134 257 R CA 1.423 57.527 56.100 0.007 0.000 0.952 257 R CB -1.488 28.821 30.300 0.015 0.000 0.850 257 R HN 0.594 nan 8.270 nan 0.000 0.433 258 H N 1.679 120.548 119.070 -0.335 0.000 2.274 258 H HA -0.066 4.488 4.556 -0.003 0.000 0.296 258 H C 1.969 177.265 175.328 -0.052 0.000 1.061 258 H CA 2.005 57.822 56.048 -0.384 0.000 1.226 258 H CB -0.040 29.234 29.762 -0.814 0.000 1.370 258 H HN 0.059 nan 8.280 nan 0.000 0.507 259 R N 0.383 121.116 120.500 0.388 0.000 2.136 259 R HA -0.182 4.156 4.340 -0.003 0.000 0.242 259 R C 2.667 179.269 176.300 0.503 0.000 1.131 259 R CA 1.390 57.757 56.100 0.445 0.000 0.937 259 R CB -1.439 29.103 30.300 0.403 0.000 0.863 259 R HN 0.357 nan 8.270 nan 0.000 0.435 260 L N 1.804 123.252 121.223 0.376 0.000 2.081 260 L HA -0.228 4.110 4.340 -0.003 0.000 0.212 260 L C 2.592 179.611 176.870 0.248 0.000 1.080 260 L CA 1.898 56.942 54.840 0.339 0.000 0.754 260 L CB -0.717 41.454 42.059 0.187 0.000 0.893 260 L HN 0.319 nan 8.230 nan 0.000 0.433 261 Q N -2.011 117.866 119.800 0.129 0.000 2.079 261 Q HA -0.271 4.067 4.340 -0.003 0.000 0.200 261 Q C 2.173 178.165 176.000 -0.014 0.000 0.974 261 Q CA 1.921 57.733 55.803 0.015 0.000 0.840 261 Q CB -0.512 28.185 28.738 -0.069 0.000 0.898 261 Q HN 0.630 nan 8.270 nan 0.000 0.430 262 W N 0.350 121.576 121.300 -0.123 0.000 2.315 262 W HA -0.237 4.421 4.660 -0.003 0.000 0.323 262 W C 1.383 177.862 176.519 -0.067 0.000 1.233 262 W CA 2.109 59.365 57.345 -0.149 0.000 1.267 262 W CB -0.854 28.519 29.460 -0.144 0.000 1.160 262 W HN 0.252 nan 8.180 nan 0.000 0.474 263 W N 0.251 121.513 121.300 -0.064 0.000 2.335 263 W HA -0.184 4.474 4.660 -0.002 0.000 0.311 263 W C 2.660 178.766 176.519 -0.688 0.000 1.213 263 W CA 2.227 59.293 57.345 -0.465 0.000 1.274 263 W CB -1.126 27.984 29.460 -0.583 0.000 1.148 263 W HN -0.208 nan 8.180 nan 0.000 0.498 264 R N 0.513 120.870 120.500 -0.239 0.000 2.105 264 R HA -0.203 4.135 4.340 -0.003 0.000 0.239 264 R C 2.112 178.276 176.300 -0.227 0.000 1.135 264 R CA 1.760 57.750 56.100 -0.184 0.000 0.967 264 R CB -0.655 29.618 30.300 -0.045 0.000 0.861 264 R HN 0.199 nan 8.270 nan 0.000 0.442 265 K N 0.540 120.701 120.400 -0.398 0.000 2.089 265 K HA -0.175 4.143 4.320 -0.003 0.000 0.210 265 K C 0.770 176.924 176.600 -0.743 0.000 1.048 265 K CA 1.585 57.488 56.287 -0.640 0.000 0.926 265 K CB -0.054 31.840 32.500 -1.009 0.000 0.714 265 K HN 0.105 nan 8.250 nan 0.000 0.448 266 F N 0.416 120.097 119.950 -0.449 0.000 2.660 266 F HA 0.320 4.845 4.527 -0.003 0.000 0.297 266 F C 0.435 176.142 175.800 -0.154 0.000 1.132 266 F CA -0.424 57.273 58.000 -0.506 0.000 1.372 266 F CB 0.395 38.818 39.000 -0.963 0.000 1.003 266 F HN -0.031 nan 8.300 nan 0.000 0.524 267 A N 0.016 122.903 122.820 0.112 0.000 2.325 267 A HA 0.581 4.900 4.320 -0.003 0.000 0.333 267 A C 1.057 178.755 177.584 0.191 0.000 1.155 267 A CA -0.488 51.707 52.037 0.263 0.000 0.814 267 A CB 1.146 20.311 19.000 0.274 0.000 1.206 267 A HN 0.133 nan 8.150 nan 0.000 0.482 268 M N 0.612 120.340 119.600 0.214 0.000 2.134 268 M HA 0.021 4.499 4.480 -0.003 0.000 0.262 268 M C 0.603 176.984 176.300 0.135 0.000 1.076 268 M CA 1.394 56.779 55.300 0.142 0.000 1.143 268 M CB -0.585 32.096 32.600 0.135 0.000 1.346 268 M HN 0.612 nan 8.290 nan 0.000 0.421 269 S N 1.592 117.402 115.700 0.183 0.000 2.891 269 S HA 0.204 4.672 4.470 -0.003 0.000 0.186 269 S C -1.673 173.056 174.600 0.215 0.000 1.401 269 S CA -1.162 57.131 58.200 0.154 0.000 1.035 269 S CB 0.351 63.623 63.200 0.120 0.000 1.293 269 S HN 0.197 nan 8.310 nan 0.000 0.493 270 P HA -0.108 nan 4.420 nan 0.000 0.220 270 P C 0.805 178.225 177.300 0.201 0.000 1.144 270 P CA 0.935 64.177 63.100 0.236 0.000 0.800 270 P CB -0.096 31.672 31.700 0.114 0.000 0.772 271 S N -0.363 115.403 115.700 0.110 0.000 2.641 271 S HA -0.024 4.444 4.470 -0.003 0.000 0.239 271 S C 1.360 175.956 174.600 -0.007 0.000 0.972 271 S CA 0.553 58.780 58.200 0.045 0.000 0.954 271 S CB -0.739 62.470 63.200 0.016 0.000 0.767 271 S HN 0.249 nan 8.310 nan 0.000 0.539 272 N N 0.079 118.787 118.700 0.013 0.000 2.294 272 N HA 0.240 4.979 4.740 -0.003 0.000 0.186 272 N C -0.528 174.801 175.510 -0.302 0.000 1.107 272 N CA 0.100 53.012 53.050 -0.231 0.000 0.884 272 N CB 0.180 38.448 38.487 -0.366 0.000 1.030 272 N HN 0.288 nan 8.380 nan 0.000 0.482 273 F N 1.763 121.702 119.950 -0.018 0.000 2.390 273 F HA 0.299 4.824 4.527 -0.003 0.000 0.361 273 F C 0.609 176.394 175.800 -0.025 0.000 1.124 273 F CA -0.581 57.415 58.000 -0.006 0.000 1.149 273 F CB 0.678 39.713 39.000 0.059 0.000 1.160 273 F HN -0.194 nan 8.300 nan 0.000 0.501 274 S N 1.141 116.876 115.700 0.058 0.000 2.600 274 S HA 0.839 5.307 4.470 -0.003 0.000 0.300 274 S C -0.298 174.355 174.600 0.088 0.000 1.087 274 S CA -0.875 57.365 58.200 0.066 0.000 0.965 274 S CB 1.756 64.965 63.200 0.016 0.000 1.089 274 S HN 0.506 nan 8.310 nan 0.000 0.496 275 S N 0.305 116.052 115.700 0.078 0.000 2.776 275 S HA 0.958 5.426 4.470 -0.003 0.000 0.306 275 S C -0.346 174.301 174.600 0.079 0.000 1.114 275 S CA -0.181 58.055 58.200 0.060 0.000 0.973 275 S CB 0.889 64.116 63.200 0.046 0.000 1.250 275 S HN 2.179 nan 8.310 nan 0.000 0.549 276 S N -0.583 115.144 115.700 0.045 0.000 2.756 276 S HA 0.341 4.809 4.470 -0.003 0.000 0.295 276 S C -2.328 172.274 174.600 0.002 0.000 0.945 276 S CA -0.963 57.267 58.200 0.049 0.000 0.838 276 S CB -0.052 63.221 63.200 0.122 0.000 1.042 276 S HN 0.647 nan 8.310 nan 0.000 0.467 277 D N 0.813 121.213 120.400 0.001 0.000 2.432 277 D HA 0.909 5.548 4.640 -0.003 0.000 0.258 277 D C 0.510 176.803 176.300 -0.012 0.000 1.146 277 D CA 0.305 54.290 54.000 -0.025 0.000 1.015 277 D CB 1.195 41.994 40.800 -0.002 0.000 1.107 277 D HN 1.524 nan 8.370 nan 0.000 0.529 278 C N -1.702 117.588 119.300 -0.017 0.000 2.873 278 C HA 0.562 5.020 4.460 -0.003 0.000 0.316 278 C C -1.600 173.466 174.990 0.127 0.000 1.294 278 C CA -0.928 58.120 59.018 0.051 0.000 1.222 278 C CB 0.196 27.979 27.740 0.071 0.000 1.309 278 C HN 0.873 nan 8.230 nan 0.000 0.460 279 Q N 0.263 120.212 119.800 0.248 0.000 2.878 279 Q HA 0.690 5.028 4.340 -0.003 0.000 0.341 279 Q C -1.395 174.784 176.000 0.299 0.000 0.824 279 Q CA -0.036 55.993 55.803 0.377 0.000 0.811 279 Q CB 0.600 29.471 28.738 0.222 0.000 1.364 279 Q HN 1.350 nan 8.270 nan 0.000 0.514 280 D N 0.141 120.641 120.400 0.166 0.000 4.520 280 D HA -0.143 4.496 4.640 -0.003 0.000 0.245 280 D C -0.899 175.337 176.300 -0.107 0.000 1.068 280 D CA 1.471 55.485 54.000 0.025 0.000 1.211 280 D CB -0.183 40.639 40.800 0.038 0.000 0.818 280 D HN 0.662 nan 8.370 nan 0.000 0.392 281 E N 1.265 121.322 120.200 -0.238 0.000 2.587 281 E HA 0.179 4.527 4.350 -0.003 0.000 0.115 281 E C -0.052 176.349 176.600 -0.331 0.000 1.219 281 E CA -0.452 55.724 56.400 -0.373 0.000 0.816 281 E CB 0.248 29.477 29.700 -0.784 0.000 2.119 281 E HN 0.199 nan 8.360 nan 0.000 0.503 282 E N 0.031 120.003 120.200 -0.380 0.000 2.463 282 E HA 0.234 4.582 4.350 -0.003 0.000 0.191 282 E C 0.173 176.575 176.600 -0.330 0.000 1.083 282 E CA 0.178 56.346 56.400 -0.388 0.000 0.872 282 E CB 0.929 30.505 29.700 -0.207 0.000 0.966 282 E HN 0.391 nan 8.360 nan 0.000 0.491 283 G N 0.799 109.449 108.800 -0.250 0.000 2.489 283 G HA2 0.430 4.388 3.960 -0.003 0.000 0.305 283 G HA3 0.430 4.388 3.960 -0.003 0.000 0.305 283 G C -1.671 173.190 174.900 -0.065 0.000 1.311 283 G CA -1.002 44.039 45.100 -0.098 0.000 0.813 283 G HN 0.026 nan 8.290 nan 0.000 0.480 284 R N 0.033 120.576 120.500 0.072 0.000 2.686 284 R HA 0.652 4.991 4.340 -0.003 0.000 0.283 284 R C -1.052 175.433 176.300 0.309 0.000 0.978 284 R CA -0.578 55.613 56.100 0.152 0.000 0.897 284 R CB 1.109 31.467 30.300 0.096 0.000 1.192 284 R HN 0.740 nan 8.270 nan 0.000 0.457 285 K N 0.905 121.586 120.400 0.468 0.000 5.875 285 K HA -0.040 4.279 4.320 -0.003 0.000 0.758 285 K C -1.107 175.650 176.600 0.262 0.000 2.396 285 K CA 0.740 57.231 56.287 0.341 0.000 1.789 285 K CB -0.618 31.994 32.500 0.185 0.000 2.723 285 K HN 0.966 nan 8.250 nan 0.000 0.169 286 G N 2.260 110.890 108.800 -0.284 0.000 2.596 286 G HA2 0.280 4.238 3.960 -0.003 0.000 0.296 286 G HA3 0.280 4.238 3.960 -0.003 0.000 0.296 286 G C -1.345 173.123 174.900 -0.719 0.000 1.513 286 G CA -0.911 43.739 45.100 -0.750 0.000 0.851 286 G HN 0.380 nan 8.290 nan 0.000 0.548 287 N N 0.061 118.485 118.700 -0.460 0.000 2.434 287 N HA 0.487 5.225 4.740 -0.003 0.000 0.266 287 N C -0.590 174.707 175.510 -0.356 0.000 1.223 287 N CA -0.025 52.846 53.050 -0.297 0.000 0.972 287 N CB 1.547 39.952 38.487 -0.136 0.000 1.207 287 N HN 0.362 nan 8.380 nan 0.000 0.525 288 K N 1.070 121.321 120.400 -0.247 0.000 2.468 288 K HA 0.467 4.785 4.320 -0.003 0.000 0.252 288 K C -1.111 175.267 176.600 -0.371 0.000 0.932 288 K CA -0.488 55.600 56.287 -0.331 0.000 0.794 288 K CB 1.944 34.239 32.500 -0.342 0.000 1.241 288 K HN 0.306 nan 8.250 nan 0.000 0.428 289 L N 3.207 124.169 121.223 -0.436 0.000 2.325 289 L HA 0.563 4.901 4.340 -0.003 0.000 0.278 289 L C -0.940 175.572 176.870 -0.596 0.000 1.023 289 L CA -0.870 53.750 54.840 -0.366 0.000 0.811 289 L CB 0.621 42.536 42.059 -0.240 0.000 1.249 289 L HN 0.524 nan 8.230 nan 0.000 0.431 290 Y N 0.782 120.968 120.300 -0.189 0.000 2.634 290 Y HA 0.505 5.053 4.550 -0.003 0.000 0.340 290 Y C -0.958 174.709 175.900 -0.388 0.000 1.058 290 Y CA -0.775 57.188 58.100 -0.227 0.000 1.081 290 Y CB 1.890 40.241 38.460 -0.181 0.000 1.295 290 Y HN 0.334 nan 8.280 nan 0.000 0.487 291 Y N 1.212 121.278 120.300 -0.389 0.000 2.391 291 Y HA 0.425 4.973 4.550 -0.003 0.000 0.341 291 Y C -0.654 174.846 175.900 -0.668 0.000 0.965 291 Y CA -1.627 55.937 58.100 -0.894 0.000 1.067 291 Y CB 1.250 38.946 38.460 -1.273 0.000 1.199 291 Y HN 0.577 nan 8.280 nan 0.000 0.450 292 N N 6.691 124.438 118.700 -1.588 0.000 2.671 292 N HA 0.066 4.805 4.740 -0.003 0.000 0.274 292 N C -0.705 173.950 175.510 -1.426 0.000 1.188 292 N CA 0.424 52.785 53.050 -1.148 0.000 1.065 292 N CB -0.414 37.622 38.487 -0.752 0.000 1.415 292 N HN 0.477 nan 8.380 nan 0.000 0.511 293 F N 1.744 121.001 119.950 -1.156 0.000 2.456 293 F HA 0.154 4.679 4.527 -0.003 0.000 0.306 293 F C -0.595 174.693 175.800 -0.853 0.000 1.278 293 F CA -1.389 55.948 58.000 -1.105 0.000 1.264 293 F CB -0.128 37.869 39.000 -1.672 0.000 1.253 293 F HN 0.311 nan 8.300 nan 0.000 0.554 294 P HA -0.146 nan 4.420 nan 0.000 0.218 294 P C 0.373 177.650 177.300 -0.038 0.000 1.149 294 P CA 1.509 64.535 63.100 -0.123 0.000 0.817 294 P CB -0.107 31.678 31.700 0.143 0.000 0.785 295 W N -0.996 120.283 121.300 -0.035 0.000 3.325 295 W HA 0.625 5.284 4.660 -0.003 0.000 0.370 295 W C 0.089 176.571 176.519 -0.062 0.000 1.169 295 W CA -0.020 57.296 57.345 -0.047 0.000 1.874 295 W CB -0.507 28.919 29.460 -0.057 0.000 1.076 295 W HN 0.001 nan 8.180 nan 0.000 0.684 296 G N 1.413 110.044 108.800 -0.282 0.000 2.674 296 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.686 296 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.686 296 G C -0.358 174.354 174.900 -0.314 0.000 1.195 296 G CA -1.227 43.735 45.100 -0.231 0.000 0.776 296 G HN 0.259 nan 8.290 nan 0.000 0.654 297 K N 0.393 120.622 120.400 -0.285 0.000 2.611 297 K HA 0.212 4.530 4.320 -0.003 0.000 0.280 297 K C 0.251 176.796 176.600 -0.091 0.000 0.964 297 K CA 1.057 57.187 56.287 -0.262 0.000 1.029 297 K CB 0.365 32.642 32.500 -0.371 0.000 0.862 297 K HN 0.657 nan 8.250 nan 0.000 0.501 298 E N 1.827 122.089 120.200 0.104 0.000 2.331 298 E HA 0.201 4.550 4.350 -0.003 0.000 0.275 298 E C -1.622 175.212 176.600 0.391 0.000 0.895 298 E CA -0.762 55.790 56.400 0.254 0.000 0.753 298 E CB 1.031 30.867 29.700 0.227 0.000 1.216 298 E HN 0.305 nan 8.360 nan 0.000 0.434 299 L N 6.556 127.979 121.223 0.332 0.000 2.410 299 L HA 0.244 4.583 4.340 -0.003 0.000 0.273 299 L C 0.537 177.389 176.870 -0.029 0.000 1.144 299 L CA 0.697 55.538 54.840 0.001 0.000 0.863 299 L CB 0.043 42.103 42.059 0.003 0.000 1.140 299 L HN 0.906 nan 8.230 nan 0.000 0.463 300 I N 1.144 121.617 120.570 -0.162 0.000 4.312 300 I HA 0.408 4.576 4.170 -0.003 0.000 0.324 300 I C 0.231 176.325 176.117 -0.039 0.000 1.298 300 I CA -0.221 61.013 61.300 -0.110 0.000 1.231 300 I CB 0.771 38.552 38.000 -0.366 0.000 1.152 300 I HN 0.673 nan 8.210 nan 0.000 0.421 301 E N 1.445 121.578 120.200 -0.113 0.000 2.401 301 E HA 0.478 4.827 4.350 -0.003 0.000 0.280 301 E C -1.402 175.154 176.600 -0.073 0.000 1.039 301 E CA -0.499 55.917 56.400 0.027 0.000 0.814 301 E CB 2.121 31.957 29.700 0.227 0.000 1.275 301 E HN 0.218 nan 8.360 nan 0.000 0.448 302 T N 0.754 115.300 114.554 -0.014 0.000 3.237 302 T HA 0.543 4.891 4.350 -0.003 0.000 0.319 302 T C -1.183 173.460 174.700 -0.094 0.000 1.037 302 T CA -0.775 61.265 62.100 -0.099 0.000 1.048 302 T CB 0.513 69.364 68.868 -0.028 0.000 1.081 302 T HN 0.248 nan 8.240 nan 0.000 0.455 303 L N 2.822 123.917 121.223 -0.213 0.000 2.325 303 L HA 0.797 5.135 4.340 -0.003 0.000 0.279 303 L C -0.541 176.140 176.870 -0.315 0.000 1.054 303 L CA -0.324 54.431 54.840 -0.142 0.000 0.804 303 L CB 1.119 43.147 42.059 -0.052 0.000 1.200 303 L HN 0.752 nan 8.230 nan 0.000 0.436 304 W N 1.449 122.772 121.300 0.038 0.000 3.127 304 W HA 0.377 5.035 4.660 -0.003 0.000 0.330 304 W C -0.190 176.360 176.519 0.053 0.000 1.187 304 W CA -0.640 56.731 57.345 0.043 0.000 1.198 304 W CB 1.641 31.116 29.460 0.026 0.000 1.408 304 W HN 0.302 nan 8.180 nan 0.000 0.529 305 N N 3.480 122.488 118.700 0.513 0.000 2.936 305 N HA 0.201 4.939 4.740 -0.003 0.000 0.243 305 N C 0.422 176.076 175.510 0.240 0.000 1.149 305 N CA -0.047 53.187 53.050 0.307 0.000 0.914 305 N CB 0.520 39.167 38.487 0.266 0.000 1.179 305 N HN 0.540 nan 8.380 nan 0.000 0.502 306 L N 1.088 122.410 121.223 0.165 0.000 2.456 306 L HA 0.120 4.458 4.340 -0.003 0.000 0.224 306 L C 1.516 178.444 176.870 0.098 0.000 1.148 306 L CA 0.487 55.374 54.840 0.078 0.000 0.825 306 L CB -1.005 41.088 42.059 0.058 0.000 0.937 306 L HN 0.563 nan 8.230 nan 0.000 0.450 307 G N 1.787 110.655 108.800 0.113 0.000 2.645 307 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.246 307 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.246 307 G C 0.261 175.223 174.900 0.103 0.000 1.322 307 G CA 0.203 45.368 45.100 0.109 0.000 0.898 307 G HN 0.454 nan 8.290 nan 0.000 0.573 308 D N -0.885 119.574 120.400 0.099 0.000 2.363 308 D HA 0.027 4.665 4.640 -0.003 0.000 0.220 308 D C 1.390 177.746 176.300 0.093 0.000 0.994 308 D CA 1.575 55.620 54.000 0.076 0.000 0.890 308 D CB -0.462 40.374 40.800 0.060 0.000 0.906 308 D HN 0.780 nan 8.370 nan 0.000 0.530 309 H N 1.394 120.485 119.070 0.035 0.000 2.497 309 H HA -0.234 4.321 4.556 -0.003 0.000 0.294 309 H C 1.673 177.036 175.328 0.057 0.000 1.056 309 H CA 2.901 58.973 56.048 0.041 0.000 1.124 309 H CB -0.231 29.546 29.762 0.025 0.000 1.407 309 H HN -0.055 nan 8.280 nan 0.000 0.617 310 E N 0.006 120.265 120.200 0.098 0.000 2.149 310 E HA -0.215 4.134 4.350 -0.003 0.000 0.215 310 E C 2.369 178.942 176.600 -0.044 0.000 1.055 310 E CA 1.596 58.009 56.400 0.021 0.000 0.870 310 E CB -0.631 29.119 29.700 0.085 0.000 0.764 310 E HN 0.445 nan 8.360 nan 0.000 0.463 311 L N -0.145 121.078 121.223 0.001 0.000 2.131 311 L HA -0.139 4.199 4.340 -0.003 0.000 0.210 311 L C 2.115 179.010 176.870 0.041 0.000 1.092 311 L CA 1.318 56.165 54.840 0.012 0.000 0.759 311 L CB -0.488 41.548 42.059 -0.039 0.000 0.903 311 L HN 0.240 nan 8.230 nan 0.000 0.435 312 L N -0.988 120.237 121.223 0.003 0.000 2.007 312 L HA -0.243 4.095 4.340 -0.003 0.000 0.205 312 L C 2.597 179.486 176.870 0.032 0.000 1.073 312 L CA 1.509 56.361 54.840 0.020 0.000 0.744 312 L CB -0.707 41.348 42.059 -0.007 0.000 0.898 312 L HN 0.329 nan 8.230 nan 0.000 0.435 313 H N -1.187 117.770 119.070 -0.188 0.000 2.390 313 H HA -0.233 4.321 4.556 -0.003 0.000 0.298 313 H C 2.357 177.588 175.328 -0.162 0.000 1.106 313 H CA 1.284 57.218 56.048 -0.189 0.000 1.297 313 H CB 0.222 29.808 29.762 -0.294 0.000 1.375 313 H HN 0.192 nan 8.280 nan 0.000 0.509 314 M N 0.459 119.949 119.600 -0.183 0.000 2.108 314 M HA -0.207 4.271 4.480 -0.003 0.000 0.261 314 M C 0.126 176.098 176.300 -0.547 0.000 1.066 314 M CA 1.653 56.663 55.300 -0.483 0.000 1.107 314 M CB -0.117 32.108 32.600 -0.626 0.000 1.356 314 M HN 0.338 nan 8.290 nan 0.000 0.406 315 Y N -0.130 120.166 120.300 -0.006 0.000 2.511 315 Y HA 0.334 4.882 4.550 -0.003 0.000 0.356 315 Y C -1.934 173.970 175.900 0.006 0.000 1.002 315 Y CA -2.839 55.260 58.100 -0.002 0.000 1.127 315 Y CB -0.498 37.955 38.460 -0.011 0.000 1.137 315 Y HN 0.152 nan 8.280 nan 0.000 0.652 316 P HA 0.003 nan 4.420 nan 0.000 0.270 316 P C 1.095 178.438 177.300 0.071 0.000 1.216 316 P CA 1.637 64.786 63.100 0.081 0.000 0.788 316 P CB 1.107 32.845 31.700 0.063 0.000 0.883 317 G N 1.690 110.517 108.800 0.045 0.000 3.099 317 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.331 317 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.331 317 G C 0.444 175.364 174.900 0.033 0.000 1.216 317 G CA 0.603 45.724 45.100 0.035 0.000 0.977 317 G HN 0.761 nan 8.290 nan 0.000 0.600 318 N N 1.349 120.068 118.700 0.033 0.000 2.309 318 N HA 0.178 4.916 4.740 -0.003 0.000 0.293 318 N C 1.039 176.542 175.510 -0.010 0.000 1.327 318 N CA 0.383 53.439 53.050 0.010 0.000 1.054 318 N CB 0.452 38.941 38.487 0.002 0.000 1.474 318 N HN 0.435 nan 8.380 nan 0.000 0.486 319 V N 1.902 121.803 119.914 -0.021 0.000 3.431 319 V HA -0.072 4.046 4.120 -0.003 0.000 0.253 319 V C 1.637 177.599 176.094 -0.220 0.000 1.184 319 V CA 0.977 63.230 62.300 -0.079 0.000 1.104 319 V CB 0.300 32.105 31.823 -0.030 0.000 0.799 319 V HN 0.580 nan 8.190 nan 0.000 0.462 320 S N 0.344 115.995 115.700 -0.082 0.000 2.359 320 S HA -0.276 4.192 4.470 -0.003 0.000 0.224 320 S C 1.855 176.392 174.600 -0.104 0.000 1.035 320 S CA 1.925 60.128 58.200 0.006 0.000 1.018 320 S CB -0.433 62.832 63.200 0.108 0.000 0.876 320 S HN 0.607 nan 8.310 nan 0.000 0.448 321 K N 0.861 121.194 120.400 -0.111 0.000 2.589 321 K HA -0.010 4.308 4.320 -0.003 0.000 0.195 321 K C 1.044 177.535 176.600 -0.182 0.000 1.040 321 K CA 0.653 56.857 56.287 -0.137 0.000 0.950 321 K CB -0.210 32.193 32.500 -0.162 0.000 0.781 321 K HN 0.387 nan 8.250 nan 0.000 0.486 322 L N -0.497 120.589 121.223 -0.229 0.000 2.638 322 L HA 0.114 4.452 4.340 -0.003 0.000 0.232 322 L C 0.257 177.085 176.870 -0.071 0.000 1.099 322 L CA -0.506 54.269 54.840 -0.109 0.000 0.883 322 L CB -0.066 41.937 42.059 -0.093 0.000 1.136 322 L HN 0.106 nan 8.230 nan 0.000 0.492 323 H N 1.959 121.058 119.070 0.048 0.000 3.125 323 H HA 0.155 4.709 4.556 -0.003 0.000 0.310 323 H C 0.402 175.760 175.328 0.051 0.000 0.980 323 H CA 0.489 56.565 56.048 0.048 0.000 1.422 323 H CB 0.549 30.324 29.762 0.021 0.000 1.432 323 H HN 0.104 nan 8.280 nan 0.000 0.577 324 G N 3.480 112.398 108.800 0.198 0.000 2.470 324 G HA2 0.348 4.307 3.960 -0.003 0.000 0.320 324 G HA3 0.348 4.307 3.960 -0.003 0.000 0.320 324 G C -0.130 174.837 174.900 0.111 0.000 1.245 324 G CA -0.863 44.325 45.100 0.145 0.000 0.935 324 G HN 0.476 nan 8.290 nan 0.000 0.476 325 R N 1.276 121.819 120.500 0.071 0.000 2.370 325 R HA 0.144 4.482 4.340 -0.003 0.000 0.309 325 R C -0.960 175.373 176.300 0.054 0.000 1.059 325 R CA -0.149 55.982 56.100 0.051 0.000 0.981 325 R CB 0.924 31.241 30.300 0.028 0.000 0.972 325 R HN 0.551 nan 8.270 nan 0.000 0.437 326 D N 2.926 123.358 120.400 0.053 0.000 2.462 326 D HA 0.286 4.924 4.640 -0.003 0.000 0.249 326 D C 0.796 177.122 176.300 0.042 0.000 1.117 326 D CA 0.482 54.516 54.000 0.057 0.000 0.900 326 D CB 0.663 41.502 40.800 0.065 0.000 1.039 326 D HN 0.663 nan 8.370 nan 0.000 0.516 327 G N 4.073 112.896 108.800 0.038 0.000 2.561 327 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.289 327 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.289 327 G C 0.509 175.421 174.900 0.020 0.000 1.169 327 G CA 0.002 45.118 45.100 0.028 0.000 0.980 327 G HN 0.566 nan 8.290 nan 0.000 0.550 328 R N 1.064 121.573 120.500 0.014 0.000 2.893 328 R HA 0.322 4.660 4.340 -0.003 0.000 0.317 328 R C -0.280 176.021 176.300 0.003 0.000 1.239 328 R CA 0.093 56.197 56.100 0.006 0.000 1.128 328 R CB 0.242 30.543 30.300 0.003 0.000 1.377 328 R HN 0.365 nan 8.270 nan 0.000 0.583 329 K N 0.967 121.372 120.400 0.009 0.000 2.463 329 K HA 0.298 4.616 4.320 -0.003 0.000 0.255 329 K C -0.909 175.698 176.600 0.011 0.000 0.942 329 K CA -0.848 55.443 56.287 0.006 0.000 0.814 329 K CB 1.760 34.270 32.500 0.018 0.000 1.122 329 K HN -0.032 nan 8.250 nan 0.000 0.425 330 N N 2.555 121.241 118.700 -0.023 0.000 2.411 330 N HA 0.218 4.956 4.740 -0.003 0.000 0.259 330 N C -0.831 174.692 175.510 0.022 0.000 1.103 330 N CA -0.125 52.904 53.050 -0.034 0.000 0.954 330 N CB 1.699 40.070 38.487 -0.193 0.000 1.085 330 N HN 0.258 nan 8.380 nan 0.000 0.485 331 V N 2.147 122.155 119.914 0.156 0.000 3.182 331 V HA 0.427 4.545 4.120 -0.003 0.000 0.308 331 V C -1.083 175.165 176.094 0.256 0.000 1.240 331 V CA -0.728 61.700 62.300 0.213 0.000 1.063 331 V CB 2.651 34.546 31.823 0.120 0.000 1.076 331 V HN 0.246 nan 8.190 nan 0.000 0.446 332 V N 5.572 125.589 119.914 0.172 0.000 2.347 332 V HA 0.448 4.566 4.120 -0.003 0.000 0.280 332 V C -1.967 174.160 176.094 0.055 0.000 1.021 332 V CA -1.351 60.992 62.300 0.072 0.000 0.847 332 V CB 1.527 33.365 31.823 0.025 0.000 0.990 332 V HN 0.888 nan 8.190 nan 0.000 0.444 333 P HA 0.072 nan 4.420 nan 0.000 0.272 333 P C -0.540 176.777 177.300 0.028 0.000 1.254 333 P CA -0.293 62.824 63.100 0.029 0.000 0.795 333 P CB 0.840 32.556 31.700 0.026 0.000 1.022 334 C N 0.628 119.959 119.300 0.052 0.000 2.322 334 C HA 0.326 4.784 4.460 -0.003 0.000 0.324 334 C C 0.326 175.339 174.990 0.039 0.000 1.284 334 C CA -0.502 58.554 59.018 0.064 0.000 1.606 334 C CB 0.334 28.131 27.740 0.094 0.000 2.251 334 C HN 0.384 nan 8.230 nan 0.000 0.502 335 V N 4.694 124.629 119.914 0.034 0.000 2.405 335 V HA 0.389 4.507 4.120 -0.003 0.000 0.264 335 V C -0.234 175.845 176.094 -0.024 0.000 1.048 335 V CA -0.067 62.192 62.300 -0.068 0.000 0.966 335 V CB 0.535 32.343 31.823 -0.025 0.000 1.015 335 V HN 0.778 nan 8.190 nan 0.000 0.477 336 L N 5.215 126.400 121.223 -0.063 0.000 2.313 336 L HA 0.538 4.876 4.340 -0.003 0.000 0.273 336 L C 0.408 177.250 176.870 -0.046 0.000 1.028 336 L CA 0.029 54.901 54.840 0.053 0.000 0.871 336 L CB 1.246 43.414 42.059 0.182 0.000 1.242 336 L HN 0.868 nan 8.230 nan 0.000 0.434 337 S N 3.717 119.424 115.700 0.012 0.000 2.489 337 S HA 0.577 5.045 4.470 -0.003 0.000 0.277 337 S C -0.449 174.149 174.600 -0.004 0.000 1.230 337 S CA -0.504 57.683 58.200 -0.021 0.000 1.053 337 S CB 0.936 64.166 63.200 0.051 0.000 0.955 337 S HN 0.407 nan 8.310 nan 0.000 0.488 338 V N 6.044 125.897 119.914 -0.102 0.000 2.555 338 V HA 0.612 4.730 4.120 -0.003 0.000 0.302 338 V C -0.106 175.987 176.094 -0.002 0.000 1.038 338 V CA -0.966 61.288 62.300 -0.076 0.000 0.887 338 V CB 1.827 33.516 31.823 -0.223 0.000 0.991 338 V HN 0.896 nan 8.190 nan 0.000 0.434 339 N N 2.433 121.169 118.700 0.060 0.000 2.572 339 N HA 0.447 5.185 4.740 -0.003 0.000 0.287 339 N C -0.548 175.032 175.510 0.117 0.000 1.136 339 N CA -0.078 53.015 53.050 0.072 0.000 0.900 339 N CB 2.414 40.948 38.487 0.078 0.000 1.484 339 N HN 0.886 nan 8.380 nan 0.000 0.526 340 G N 0.859 109.744 108.800 0.142 0.000 2.432 340 G HA2 0.247 4.205 3.960 -0.003 0.000 0.331 340 G HA3 0.247 4.205 3.960 -0.003 0.000 0.331 340 G C -0.899 174.112 174.900 0.186 0.000 1.170 340 G CA -0.303 44.956 45.100 0.264 0.000 0.943 340 G HN 0.470 nan 8.290 nan 0.000 0.483 341 D N 1.947 122.502 120.400 0.258 0.000 2.479 341 D HA 0.155 4.793 4.640 -0.003 0.000 0.218 341 D C 1.688 178.160 176.300 0.287 0.000 1.131 341 D CA -0.329 53.791 54.000 0.199 0.000 0.916 341 D CB 1.013 41.909 40.800 0.161 0.000 1.022 341 D HN 0.195 nan 8.370 nan 0.000 0.515 342 L N 2.340 123.674 121.223 0.185 0.000 2.081 342 L HA -0.191 4.148 4.340 -0.003 0.000 0.212 342 L C 1.668 178.689 176.870 0.252 0.000 1.080 342 L CA 1.037 55.994 54.840 0.195 0.000 0.754 342 L CB 0.035 42.129 42.059 0.060 0.000 0.893 342 L HN 0.344 nan 8.230 nan 0.000 0.433 343 D N -0.555 120.001 120.400 0.259 0.000 2.117 343 D HA -0.186 4.452 4.640 -0.003 0.000 0.198 343 D C 2.212 178.715 176.300 0.338 0.000 0.982 343 D CA 1.007 55.217 54.000 0.350 0.000 0.828 343 D CB -0.062 40.982 40.800 0.407 0.000 0.967 343 D HN 0.228 nan 8.370 nan 0.000 0.464 344 R N 0.539 121.222 120.500 0.305 0.000 2.115 344 R HA -0.057 4.281 4.340 -0.003 0.000 0.230 344 R C 2.190 178.693 176.300 0.338 0.000 1.111 344 R CA 1.341 57.628 56.100 0.311 0.000 0.976 344 R CB -0.254 30.198 30.300 0.253 0.000 0.870 344 R HN 0.132 nan 8.270 nan 0.000 0.445 345 G N 0.157 109.188 108.800 0.385 0.000 2.484 345 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.218 345 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.218 345 G C 1.337 176.418 174.900 0.302 0.000 1.130 345 G CA 0.114 45.497 45.100 0.471 0.000 0.784 345 G HN 0.192 nan 8.290 nan 0.000 0.543 346 M N 0.249 120.010 119.600 0.269 0.000 2.349 346 M HA 0.205 4.683 4.480 -0.003 0.000 0.266 346 M C 2.190 178.570 176.300 0.133 0.000 1.076 346 M CA 0.928 56.332 55.300 0.174 0.000 1.126 346 M CB -0.257 32.362 32.600 0.032 0.000 1.392 346 M HN 0.233 nan 8.290 nan 0.000 0.440 347 L N -1.027 120.322 121.223 0.210 0.000 2.249 347 L HA 0.056 4.394 4.340 -0.003 0.000 0.207 347 L C 2.639 179.714 176.870 0.341 0.000 1.090 347 L CA 0.663 55.688 54.840 0.309 0.000 0.802 347 L CB -1.219 41.099 42.059 0.432 0.000 0.947 347 L HN 0.189 nan 8.230 nan 0.000 0.453 348 A N 0.297 123.175 122.820 0.097 0.000 1.892 348 A HA -0.258 4.060 4.320 -0.003 0.000 0.218 348 A C 2.079 179.285 177.584 -0.629 0.000 1.188 348 A CA 1.824 53.441 52.037 -0.700 0.000 0.631 348 A CB -0.892 17.569 19.000 -0.899 0.000 0.822 348 A HN 0.349 nan 8.150 nan 0.000 0.447 349 Y N -0.390 119.836 120.300 -0.123 0.000 2.242 349 Y HA -0.050 4.498 4.550 -0.002 0.000 0.291 349 Y C 2.204 178.074 175.900 -0.049 0.000 1.137 349 Y CA 1.037 59.100 58.100 -0.061 0.000 1.181 349 Y CB -0.697 37.751 38.460 -0.021 0.000 0.989 349 Y HN 0.188 nan 8.280 nan 0.000 0.527 350 L N -1.709 119.555 121.223 0.069 0.000 2.042 350 L HA -0.295 4.044 4.340 -0.003 0.000 0.210 350 L C 2.081 178.928 176.870 -0.038 0.000 1.076 350 L CA 1.648 56.417 54.840 -0.119 0.000 0.749 350 L CB -0.763 41.122 42.059 -0.289 0.000 0.893 350 L HN 0.183 nan 8.230 nan 0.000 0.432 351 Y N -0.264 120.058 120.300 0.037 0.000 2.109 351 Y HA -0.308 4.240 4.550 -0.003 0.000 0.285 351 Y C 2.414 178.405 175.900 0.152 0.000 1.131 351 Y CA 1.819 60.000 58.100 0.135 0.000 1.121 351 Y CB -0.526 38.048 38.460 0.190 0.000 0.987 351 Y HN 0.253 nan 8.280 nan 0.000 0.495 352 D N -0.304 120.256 120.400 0.266 0.000 2.397 352 D HA -0.162 4.477 4.640 -0.003 0.000 0.219 352 D C 1.051 177.488 176.300 0.228 0.000 0.975 352 D CA 1.407 55.566 54.000 0.264 0.000 0.940 352 D CB -0.190 40.767 40.800 0.261 0.000 0.884 352 D HN 0.256 nan 8.370 nan 0.000 0.505 353 S N -2.207 113.613 115.700 0.200 0.000 2.741 353 S HA 0.204 4.673 4.470 -0.003 0.000 0.247 353 S C 0.527 175.257 174.600 0.216 0.000 1.050 353 S CA -0.904 57.392 58.200 0.161 0.000 1.025 353 S CB -0.196 63.067 63.200 0.105 0.000 0.897 353 S HN 0.195 nan 8.310 nan 0.000 0.508 354 F N 2.193 122.160 119.950 0.028 0.000 2.522 354 F HA 0.515 5.040 4.527 -0.003 0.000 0.275 354 F C 0.846 176.665 175.800 0.032 0.000 0.890 354 F CA 0.245 58.247 58.000 0.004 0.000 1.157 354 F CB -0.237 38.738 39.000 -0.042 0.000 1.117 354 F HN 0.179 nan 8.300 nan 0.000 0.787 369 R N 0.962 121.501 120.500 0.065 0.000 3.531 369 R HA -0.174 4.164 4.340 -0.003 0.000 0.280 369 R C 0.973 177.308 176.300 0.057 0.000 1.130 369 R CA 1.005 57.133 56.100 0.046 0.000 0.757 369 R CB -0.667 29.653 30.300 0.033 0.000 1.218 369 R HN 0.360 nan 8.270 nan 0.000 0.454 370 K N 0.693 121.157 120.400 0.106 0.000 2.004 370 K HA 0.115 4.433 4.320 -0.003 0.000 0.217 370 K C 1.024 177.726 176.600 0.169 0.000 1.026 370 K CA 0.840 57.230 56.287 0.172 0.000 0.979 370 K CB -0.361 32.300 32.500 0.269 0.000 0.818 370 K HN 0.100 nan 8.250 nan 0.000 0.447 371 V N 1.439 121.466 119.914 0.188 0.000 3.605 371 V HA -0.202 3.916 4.120 -0.003 0.000 0.507 371 V C -1.303 174.909 176.094 0.197 0.000 0.682 371 V CA -0.128 62.259 62.300 0.146 0.000 2.051 371 V CB -0.226 31.640 31.823 0.071 0.000 2.472 371 V HN 0.242 nan 8.190 nan 0.000 0.509 372 L N 8.219 129.533 121.223 0.151 0.000 2.265 372 L HA 0.491 4.829 4.340 -0.003 0.000 0.288 372 L C 0.845 177.757 176.870 0.069 0.000 1.058 372 L CA 0.283 55.192 54.840 0.115 0.000 0.809 372 L CB 1.300 43.359 42.059 0.001 0.000 1.179 372 L HN 0.608 nan 8.230 nan 0.000 0.429 373 K N 4.511 124.952 120.400 0.068 0.000 3.127 373 K HA 0.330 4.649 4.320 -0.003 0.000 0.236 373 K C -0.177 176.439 176.600 0.026 0.000 1.271 373 K CA -0.360 55.947 56.287 0.032 0.000 1.224 373 K CB 0.075 32.593 32.500 0.030 0.000 1.482 373 K HN 0.481 nan 8.250 nan 0.000 0.435 374 L N 1.505 122.739 121.223 0.019 0.000 2.536 374 L HA -0.091 4.247 4.340 -0.003 0.000 0.294 374 L C 1.197 178.081 176.870 0.024 0.000 1.257 374 L CA 0.282 55.130 54.840 0.014 0.000 0.850 374 L CB 0.029 42.089 42.059 0.001 0.000 1.105 374 L HN 0.455 nan 8.230 nan 0.000 0.517 375 H N 4.098 123.125 119.070 -0.072 0.000 2.732 375 H HA 0.060 4.615 4.556 -0.003 0.000 0.351 375 H C -1.839 173.485 175.328 -0.007 0.000 1.090 375 H CA -1.715 54.318 56.048 -0.025 0.000 1.431 375 H CB 1.435 31.193 29.762 -0.006 0.000 1.447 375 H HN 0.327 nan 8.280 nan 0.000 0.582 376 P HA -0.240 nan 4.420 nan 0.000 0.216 376 P C 0.966 178.404 177.300 0.230 0.000 1.167 376 P CA 2.618 65.798 63.100 0.133 0.000 0.933 376 P CB -0.141 31.640 31.700 0.136 0.000 0.793 377 C N -3.111 116.428 119.300 0.399 0.000 2.289 377 C HA 0.409 4.867 4.460 -0.003 0.000 0.391 377 C C 1.316 176.274 174.990 -0.054 0.000 1.304 377 C CA -0.293 58.813 59.018 0.148 0.000 1.679 377 C CB -2.292 25.547 27.740 0.164 0.000 1.885 377 C HN 0.100 nan 8.230 nan 0.000 0.587 378 L N -0.160 121.039 121.223 -0.040 0.000 3.316 378 L HA 0.441 4.780 4.340 -0.003 0.000 0.300 378 L C 1.587 178.424 176.870 -0.055 0.000 1.128 378 L CA 0.674 55.414 54.840 -0.167 0.000 1.111 378 L CB -0.507 41.344 42.059 -0.347 0.000 1.687 378 L HN 0.341 nan 8.230 nan 0.000 0.594 379 A N 1.611 124.433 122.820 0.004 0.000 2.561 379 A HA 0.288 4.606 4.320 -0.003 0.000 0.234 379 A C -1.431 176.181 177.584 0.046 0.000 1.055 379 A CA -0.156 51.903 52.037 0.036 0.000 0.756 379 A CB -0.358 18.654 19.000 0.020 0.000 0.986 379 A HN 0.195 nan 8.150 nan 0.000 0.505 380 P HA 0.050 nan 4.420 nan 0.000 0.221 380 P C 0.111 177.436 177.300 0.043 0.000 1.155 380 P CA 1.080 64.213 63.100 0.054 0.000 0.812 380 P CB 0.223 31.950 31.700 0.045 0.000 0.801 381 I N 0.057 120.650 120.570 0.038 0.000 2.466 381 I HA 0.226 4.395 4.170 -0.003 0.000 0.279 381 I C 1.153 177.289 176.117 0.032 0.000 1.033 381 I CA -0.579 60.753 61.300 0.055 0.000 1.123 381 I CB 1.810 39.854 38.000 0.073 0.000 1.237 381 I HN -0.317 nan 8.210 nan 0.000 0.460 382 K N 3.281 123.705 120.400 0.040 0.000 2.280 382 K HA 0.021 4.339 4.320 -0.003 0.000 0.202 382 K C 0.301 176.934 176.600 0.056 0.000 1.047 382 K CA 0.899 57.203 56.287 0.028 0.000 0.942 382 K CB 0.435 32.955 32.500 0.035 0.000 0.739 382 K HN 0.379 nan 8.250 nan 0.000 0.457 383 V N -0.346 119.617 119.914 0.081 0.000 2.775 383 V HA 0.509 4.627 4.120 -0.003 0.000 0.295 383 V C -1.629 174.529 176.094 0.107 0.000 1.226 383 V CA -0.737 61.629 62.300 0.110 0.000 0.934 383 V CB 1.406 33.318 31.823 0.149 0.000 1.056 383 V HN 0.116 nan 8.190 nan 0.000 0.436 384 A N 6.108 128.930 122.820 0.003 0.000 2.242 384 A HA 1.066 5.385 4.320 -0.003 0.000 0.304 384 A C -0.656 176.983 177.584 0.092 0.000 1.100 384 A CA -0.160 51.849 52.037 -0.047 0.000 0.860 384 A CB 1.196 19.766 19.000 -0.717 0.000 1.168 384 A HN 2.208 nan 8.150 nan 0.000 0.503 385 L N -1.417 119.905 121.223 0.166 0.000 3.586 385 L HA 0.499 4.837 4.340 -0.003 0.000 0.267 385 L C -1.671 175.358 176.870 0.265 0.000 0.980 385 L CA -0.848 54.122 54.840 0.218 0.000 1.199 385 L CB 0.681 42.863 42.059 0.205 0.000 1.946 385 L HN 0.676 nan 8.230 nan 0.000 0.595 386 D N 1.885 122.438 120.400 0.256 0.000 2.614 386 D HA 0.718 5.356 4.640 -0.003 0.000 0.264 386 D C -0.038 176.369 176.300 0.179 0.000 1.092 386 D CA -0.467 53.679 54.000 0.243 0.000 1.071 386 D CB 2.247 43.187 40.800 0.234 0.000 1.443 386 D HN 0.591 nan 8.370 nan 0.000 0.528 387 V N -3.297 116.706 119.914 0.148 0.000 3.170 387 V HA 0.843 4.961 4.120 -0.003 0.000 0.309 387 V C 0.573 176.712 176.094 0.076 0.000 1.071 387 V CA 0.261 62.618 62.300 0.095 0.000 1.063 387 V CB 0.860 32.728 31.823 0.074 0.000 1.123 387 V HN 0.899 nan 8.190 nan 0.000 0.464 388 G N 1.073 109.907 108.800 0.056 0.000 3.354 388 G HA2 0.329 4.287 3.960 -0.003 0.000 0.174 388 G HA3 0.329 4.287 3.960 -0.003 0.000 0.174 388 G C -0.171 174.746 174.900 0.028 0.000 1.140 388 G CA -0.797 44.327 45.100 0.040 0.000 0.897 388 G HN 0.976 nan 8.290 nan 0.000 0.685 389 R N 1.302 121.818 120.500 0.026 0.000 2.413 389 R HA 0.504 4.842 4.340 -0.003 0.000 0.333 389 R C 0.226 176.537 176.300 0.020 0.000 1.074 389 R CA 0.687 56.798 56.100 0.020 0.000 0.982 389 R CB -0.494 29.818 30.300 0.019 0.000 0.981 389 R HN 1.429 nan 8.270 nan 0.000 0.452 390 G N 3.213 112.022 108.800 0.015 0.000 2.373 390 G HA2 0.072 4.030 3.960 -0.003 0.000 0.250 390 G HA3 0.072 4.030 3.960 -0.003 0.000 0.250 390 G C -2.809 172.097 174.900 0.009 0.000 1.304 390 G CA -0.687 44.420 45.100 0.011 0.000 0.948 390 G HN 0.517 nan 8.290 nan 0.000 0.474 391 P HA 0.505 nan 4.420 nan 0.000 0.279 391 P C -0.051 177.254 177.300 0.008 0.000 1.282 391 P CA 0.278 63.381 63.100 0.005 0.000 0.788 391 P CB 1.448 33.148 31.700 0.001 0.000 1.139 392 T N -0.601 113.958 114.554 0.007 0.000 3.610 392 T HA 0.141 4.490 4.350 -0.003 0.000 0.209 392 T C 1.647 176.351 174.700 0.006 0.000 0.889 392 T CA 0.046 62.154 62.100 0.012 0.000 1.469 392 T CB -0.867 68.010 68.868 0.014 0.000 1.557 392 T HN 0.222 nan 8.240 nan 0.000 0.431 393 L N 1.568 122.793 121.223 0.004 0.000 2.740 393 L HA 0.033 4.371 4.340 -0.003 0.000 0.242 393 L C 1.737 178.600 176.870 -0.012 0.000 1.175 393 L CA 1.239 56.078 54.840 -0.002 0.000 0.859 393 L CB -0.604 41.455 42.059 -0.000 0.000 0.992 393 L HN 0.445 nan 8.230 nan 0.000 0.454 394 E N -1.024 119.168 120.200 -0.013 0.000 2.508 394 E HA 0.029 4.377 4.350 -0.003 0.000 0.217 394 E C 1.350 177.935 176.600 -0.026 0.000 0.896 394 E CA -0.041 56.348 56.400 -0.018 0.000 1.118 394 E CB 0.574 30.267 29.700 -0.011 0.000 1.133 394 E HN 0.212 nan 8.360 nan 0.000 0.526 395 L N 0.307 121.516 121.223 -0.023 0.000 2.638 395 L HA 0.247 4.585 4.340 -0.003 0.000 0.232 395 L C 1.709 178.547 176.870 -0.054 0.000 1.099 395 L CA 0.818 55.642 54.840 -0.026 0.000 0.883 395 L CB 0.270 42.326 42.059 -0.004 0.000 1.136 395 L HN -0.156 nan 8.230 nan 0.000 0.492 396 R N -0.705 119.758 120.500 -0.062 0.000 2.075 396 R HA -0.033 4.305 4.340 -0.003 0.000 0.220 396 R C 2.047 178.194 176.300 -0.256 0.000 1.118 396 R CA 1.223 57.247 56.100 -0.128 0.000 0.986 396 R CB -0.227 30.069 30.300 -0.006 0.000 0.884 396 R HN 0.531 nan 8.270 nan 0.000 0.439 397 Q N 0.656 120.369 119.800 -0.144 0.000 2.173 397 Q HA -0.188 4.150 4.340 -0.003 0.000 0.208 397 Q C 1.993 177.900 176.000 -0.154 0.000 0.989 397 Q CA 1.993 57.717 55.803 -0.132 0.000 0.872 397 Q CB -0.652 28.046 28.738 -0.067 0.000 0.909 397 Q HN 0.251 nan 8.270 nan 0.000 0.420 398 V N 0.724 120.554 119.914 -0.139 0.000 2.358 398 V HA -0.233 3.885 4.120 -0.003 0.000 0.246 398 V C 2.267 178.265 176.094 -0.160 0.000 1.047 398 V CA 1.816 64.049 62.300 -0.111 0.000 1.035 398 V CB -0.582 31.198 31.823 -0.071 0.000 0.658 398 V HN 0.727 nan 8.190 nan 0.000 0.452 399 C N 0.338 119.467 119.300 -0.285 0.000 2.376 399 C HA -0.268 4.190 4.460 -0.003 0.000 0.275 399 C C 2.718 177.501 174.990 -0.345 0.000 1.200 399 C CA 1.868 60.654 59.018 -0.387 0.000 1.756 399 C CB -1.498 25.735 27.740 -0.846 0.000 2.050 399 C HN 0.687 nan 8.230 nan 0.000 0.460 400 Q N 0.026 119.519 119.800 -0.511 0.000 2.308 400 Q HA -0.123 4.216 4.340 -0.003 0.000 0.209 400 Q C 2.328 178.350 176.000 0.036 0.000 0.985 400 Q CA 1.647 57.358 55.803 -0.155 0.000 0.881 400 Q CB -0.412 28.241 28.738 -0.143 0.000 0.917 400 Q HN 0.854 nan 8.270 nan 0.000 0.443 401 G N 0.445 109.227 108.800 -0.029 0.000 2.408 401 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.217 401 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.217 401 G C 1.314 176.237 174.900 0.039 0.000 1.150 401 G CA 0.398 45.502 45.100 0.008 0.000 0.776 401 G HN 0.200 nan 8.290 nan 0.000 0.542 402 L N -1.090 120.164 121.223 0.052 0.000 2.162 402 L HA 0.186 4.524 4.340 -0.003 0.000 0.205 402 L C 2.457 179.409 176.870 0.136 0.000 1.086 402 L CA 0.129 55.016 54.840 0.078 0.000 0.778 402 L CB -0.369 41.737 42.059 0.078 0.000 0.928 402 L HN 0.155 nan 8.230 nan 0.000 0.446 403 F N 2.018 121.975 119.950 0.010 0.000 2.027 403 F HA -0.311 4.212 4.527 -0.007 0.000 0.297 403 F C 2.438 178.259 175.800 0.034 0.000 1.129 403 F CA 1.940 59.974 58.000 0.056 0.000 1.195 403 F CB -0.454 38.609 39.000 0.106 0.000 0.960 403 F HN 0.138 nan 8.300 nan 0.000 0.485 404 N N 0.467 119.205 118.700 0.063 0.000 2.084 404 N HA -0.215 4.523 4.740 -0.003 0.000 0.190 404 N C 1.963 177.439 175.510 -0.058 0.000 1.030 404 N CA 1.551 54.567 53.050 -0.056 0.000 0.849 404 N CB -0.884 37.620 38.487 0.028 0.000 1.012 404 N HN 0.537 nan 8.380 nan 0.000 0.423 405 E N 0.217 120.412 120.200 -0.008 0.000 2.070 405 E HA -0.183 4.165 4.350 -0.003 0.000 0.197 405 E C 1.560 178.145 176.600 -0.024 0.000 1.004 405 E CA 0.938 57.333 56.400 -0.007 0.000 0.805 405 E CB 0.078 29.786 29.700 0.013 0.000 0.744 405 E HN 0.046 nan 8.360 nan 0.000 0.451 406 L N 0.659 121.866 121.223 -0.028 0.000 1.988 406 L HA -0.160 4.178 4.340 -0.003 0.000 0.207 406 L C 2.446 179.262 176.870 -0.091 0.000 1.071 406 L CA 1.410 56.227 54.840 -0.039 0.000 0.744 406 L CB -1.159 40.895 42.059 -0.008 0.000 0.893 406 L HN 0.283 nan 8.230 nan 0.000 0.433 407 L N -0.493 120.616 121.223 -0.191 0.000 2.013 407 L HA -0.274 4.065 4.340 -0.003 0.000 0.212 407 L C 2.242 179.038 176.870 -0.123 0.000 1.073 407 L CA 1.450 56.157 54.840 -0.221 0.000 0.753 407 L CB -0.624 41.204 42.059 -0.385 0.000 0.890 407 L HN 0.396 nan 8.230 nan 0.000 0.432 408 E N -0.173 119.968 120.200 -0.097 0.000 2.510 408 E HA -0.149 4.199 4.350 -0.003 0.000 0.202 408 E C 0.982 177.561 176.600 -0.035 0.000 1.072 408 E CA 0.342 56.708 56.400 -0.056 0.000 0.883 408 E CB -0.070 29.606 29.700 -0.039 0.000 0.818 408 E HN 0.517 nan 8.360 nan 0.000 0.548 409 N N -0.720 117.958 118.700 -0.037 0.000 2.171 409 N HA 0.049 4.787 4.740 -0.003 0.000 0.212 409 N C 0.699 176.202 175.510 -0.013 0.000 1.184 409 N CA 0.694 53.734 53.050 -0.017 0.000 0.888 409 N CB 1.807 40.288 38.487 -0.010 0.000 1.038 409 N HN 0.212 nan 8.380 nan 0.000 0.517 410 G N 1.550 110.334 108.800 -0.026 0.000 2.132 410 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.228 410 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.228 410 G C -0.117 174.777 174.900 -0.011 0.000 1.000 410 G CA -0.331 44.760 45.100 -0.016 0.000 0.693 410 G HN 0.267 nan 8.290 nan 0.000 0.515 411 I N 2.717 123.274 120.570 -0.022 0.000 2.306 411 I HA 0.271 4.440 4.170 -0.003 0.000 0.288 411 I C 1.024 177.136 176.117 -0.007 0.000 1.036 411 I CA -0.445 60.852 61.300 -0.005 0.000 1.221 411 I CB 1.296 39.298 38.000 0.002 0.000 1.385 411 I HN 0.321 nan 8.210 nan 0.000 0.472 412 S N 5.836 121.545 115.700 0.014 0.000 2.555 412 S HA 0.258 4.726 4.470 -0.003 0.000 0.293 412 S C -0.191 174.458 174.600 0.082 0.000 1.248 412 S CA -0.693 57.529 58.200 0.036 0.000 1.096 412 S CB 0.387 63.616 63.200 0.049 0.000 0.881 412 S HN 0.339 nan 8.310 nan 0.000 0.498 413 V N 4.438 124.422 119.914 0.116 0.000 2.769 413 V HA 0.479 4.597 4.120 -0.003 0.000 0.312 413 V C -0.431 175.863 176.094 0.334 0.000 1.061 413 V CA -0.957 61.480 62.300 0.229 0.000 0.931 413 V CB 1.958 33.956 31.823 0.293 0.000 1.010 413 V HN 1.021 nan 8.190 nan 0.000 0.433 414 W N 7.033 128.389 121.300 0.094 0.000 2.294 414 W HA 0.408 5.068 4.660 -0.000 0.000 0.314 414 W C -2.519 173.997 176.519 -0.006 0.000 1.044 414 W CA -2.572 54.788 57.345 0.024 0.000 1.284 414 W CB 2.100 31.502 29.460 -0.096 0.000 1.231 414 W HN 0.409 nan 8.180 nan 0.000 0.419 415 P HA 0.045 nan 4.420 nan 0.000 0.252 415 P C 0.803 177.573 177.300 -0.884 0.000 1.694 415 P CA 0.482 63.036 63.100 -0.911 0.000 1.163 415 P CB -0.050 31.003 31.700 -1.077 0.000 1.934 416 G N 2.013 110.594 108.800 -0.365 0.000 2.683 416 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.213 416 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.213 416 G C 0.889 175.734 174.900 -0.091 0.000 1.142 416 G CA -0.104 44.980 45.100 -0.027 0.000 0.793 416 G HN 0.445 nan 8.290 nan 0.000 0.534 417 Y N 0.088 120.351 120.300 -0.060 0.000 2.715 417 Y HA 0.408 4.961 4.550 0.004 0.000 0.332 417 Y C 0.353 176.200 175.900 -0.089 0.000 1.213 417 Y CA -0.646 57.418 58.100 -0.059 0.000 1.304 417 Y CB -0.429 37.984 38.460 -0.079 0.000 1.041 417 Y HN 0.017 nan 8.280 nan 0.000 0.502 418 L N 0.563 121.608 121.223 -0.297 0.000 3.291 418 L HA 0.397 4.736 4.340 -0.003 0.000 0.307 418 L C -0.460 176.331 176.870 -0.132 0.000 1.303 418 L CA -0.322 54.385 54.840 -0.222 0.000 0.949 418 L CB 0.178 41.999 42.059 -0.396 0.000 1.375 418 L HN 0.074 nan 8.230 nan 0.000 0.596 419 E N -0.863 119.303 120.200 -0.057 0.000 2.232 419 E HA 0.555 4.903 4.350 -0.003 0.000 0.264 419 E C 0.184 176.783 176.600 -0.002 0.000 0.973 419 E CA -0.497 55.893 56.400 -0.016 0.000 0.849 419 E CB 2.170 31.887 29.700 0.028 0.000 1.198 419 E HN 0.085 nan 8.360 nan 0.000 0.407 420 T N 0.311 114.865 114.554 0.001 0.000 4.030 420 T HA 0.192 4.540 4.350 -0.003 0.000 0.282 420 T C 0.414 175.116 174.700 0.004 0.000 1.102 420 T CA -0.420 61.681 62.100 0.001 0.000 1.138 420 T CB 0.074 68.942 68.868 -0.001 0.000 2.308 420 T HN 0.398 nan 8.240 nan 0.000 0.456 421 M N 2.521 122.122 119.600 0.001 0.000 2.366 421 M HA -0.077 4.401 4.480 -0.003 0.000 0.414 421 M C 1.844 178.142 176.300 -0.004 0.000 1.578 421 M CA 0.205 55.505 55.300 -0.001 0.000 0.892 421 M CB 0.276 32.874 32.600 -0.002 0.000 2.082 421 M HN 0.638 nan 8.290 nan 0.000 0.498 422 Q N 2.062 121.858 119.800 -0.006 0.000 2.065 422 Q HA -0.284 4.054 4.340 -0.003 0.000 0.213 422 Q C 0.697 176.682 176.000 -0.026 0.000 1.012 422 Q CA 2.104 57.899 55.803 -0.014 0.000 0.876 422 Q CB -0.429 28.299 28.738 -0.018 0.000 0.954 422 Q HN 0.839 nan 8.270 nan 0.000 0.413 423 S N -0.184 115.501 115.700 -0.025 0.000 3.445 423 S HA -0.228 4.240 4.470 -0.003 0.000 0.319 423 S C 0.017 174.588 174.600 -0.048 0.000 1.209 423 S CA 0.803 58.984 58.200 -0.031 0.000 0.934 423 S CB -1.953 61.230 63.200 -0.028 0.000 0.999 423 S HN 0.926 nan 8.310 nan 0.000 0.582 424 S N -1.904 113.763 115.700 -0.055 0.000 4.064 424 S HA -0.096 4.372 4.470 -0.003 0.000 0.651 424 S C 0.155 174.677 174.600 -0.130 0.000 1.268 424 S CA 0.521 58.674 58.200 -0.077 0.000 1.421 424 S CB -1.133 62.029 63.200 -0.064 0.000 0.335 424 S HN 1.201 nan 8.310 nan 0.000 1.550 425 L N 1.353 122.469 121.223 -0.178 0.000 2.467 425 L HA 0.554 4.893 4.340 -0.003 0.000 0.213 425 L C 1.928 178.588 176.870 -0.350 0.000 1.053 425 L CA 1.718 56.341 54.840 -0.362 0.000 0.847 425 L CB -0.485 41.328 42.059 -0.411 0.000 1.075 425 L HN 0.713 nan 8.230 nan 0.000 0.479 426 E N -0.339 119.779 120.200 -0.136 0.000 2.072 426 E HA -0.121 4.227 4.350 -0.003 0.000 0.190 426 E C 2.084 178.682 176.600 -0.004 0.000 0.982 426 E CA 0.881 57.284 56.400 0.004 0.000 0.803 426 E CB -0.147 29.566 29.700 0.021 0.000 0.755 426 E HN 0.401 nan 8.360 nan 0.000 0.453 427 Q N -0.387 119.383 119.800 -0.050 0.000 2.226 427 Q HA -0.106 4.233 4.340 -0.003 0.000 0.204 427 Q C 1.630 177.569 176.000 -0.101 0.000 0.975 427 Q CA 0.904 56.674 55.803 -0.055 0.000 0.866 427 Q CB 0.018 28.722 28.738 -0.056 0.000 0.915 427 Q HN 0.249 nan 8.270 nan 0.000 0.440 428 L N -1.701 119.432 121.223 -0.150 0.000 2.513 428 L HA 0.048 4.386 4.340 -0.003 0.000 0.222 428 L C 1.736 178.495 176.870 -0.185 0.000 1.096 428 L CA 0.731 55.400 54.840 -0.285 0.000 0.857 428 L CB -0.292 41.596 42.059 -0.284 0.000 1.026 428 L HN 0.201 nan 8.230 nan 0.000 0.469 429 Y N -1.030 119.211 120.300 -0.098 0.000 2.365 429 Y HA -0.142 4.406 4.550 -0.004 0.000 0.293 429 Y C 2.542 178.445 175.900 0.005 0.000 1.119 429 Y CA 0.677 58.782 58.100 0.009 0.000 1.203 429 Y CB 0.386 38.866 38.460 0.033 0.000 1.026 429 Y HN 0.291 nan 8.280 nan 0.000 0.549 430 S N -0.544 115.234 115.700 0.131 0.000 2.503 430 S HA -0.056 4.412 4.470 -0.003 0.000 0.217 430 S C 1.604 176.220 174.600 0.027 0.000 0.999 430 S CA 0.174 58.417 58.200 0.073 0.000 0.914 430 S CB -0.011 63.223 63.200 0.057 0.000 0.782 430 S HN 0.260 nan 8.310 nan 0.000 0.520 431 K N -0.074 120.293 120.400 -0.056 0.000 2.103 431 K HA 0.015 4.333 4.320 -0.003 0.000 0.204 431 K C 1.358 177.903 176.600 -0.092 0.000 1.052 431 K CA 1.083 57.292 56.287 -0.129 0.000 0.945 431 K CB -0.211 32.127 32.500 -0.271 0.000 0.722 431 K HN 0.366 nan 8.250 nan 0.000 0.443 432 Y N 1.607 121.895 120.300 -0.019 0.000 2.395 432 Y HA -0.095 4.453 4.550 -0.003 0.000 0.293 432 Y C 1.803 177.673 175.900 -0.049 0.000 1.123 432 Y CA 0.521 58.576 58.100 -0.074 0.000 1.227 432 Y CB -0.233 38.217 38.460 -0.017 0.000 1.012 432 Y HN 0.153 nan 8.280 nan 0.000 0.552 433 D N 0.217 120.699 120.400 0.137 0.000 2.117 433 D HA -0.167 4.471 4.640 -0.003 0.000 0.197 433 D C 1.695 178.050 176.300 0.092 0.000 0.987 433 D CA 1.299 55.350 54.000 0.085 0.000 0.829 433 D CB -0.014 40.828 40.800 0.070 0.000 0.961 433 D HN 0.513 nan 8.370 nan 0.000 0.460 434 E N 0.123 120.377 120.200 0.091 0.000 2.153 434 E HA -0.100 4.248 4.350 -0.003 0.000 0.194 434 E C 1.982 178.678 176.600 0.160 0.000 0.988 434 E CA 0.664 57.126 56.400 0.103 0.000 0.811 434 E CB -0.046 29.693 29.700 0.066 0.000 0.746 434 E HN 0.320 nan 8.360 nan 0.000 0.466 435 M N 0.204 119.861 119.600 0.095 0.000 2.595 435 M HA -0.012 4.466 4.480 -0.003 0.000 0.248 435 M C 0.581 176.958 176.300 0.128 0.000 1.119 435 M CA 0.493 55.825 55.300 0.054 0.000 1.079 435 M CB 0.189 32.699 32.600 -0.149 0.000 1.472 435 M HN -0.005 nan 8.290 nan 0.000 0.501 436 S N 0.216 115.984 115.700 0.113 0.000 3.698 436 S HA -0.150 4.319 4.470 -0.003 0.000 0.338 436 S C -0.096 174.507 174.600 0.005 0.000 1.089 436 S CA 0.104 58.347 58.200 0.070 0.000 0.991 436 S CB -3.067 60.197 63.200 0.107 0.000 0.909 436 S HN 0.561 nan 8.310 nan 0.000 0.485 437 I N 1.147 121.700 120.570 -0.028 0.000 2.556 437 I HA 0.113 4.282 4.170 -0.003 0.000 0.284 437 I C 2.080 178.114 176.117 -0.139 0.000 1.114 437 I CA -0.538 60.713 61.300 -0.083 0.000 1.418 437 I CB 0.350 38.258 38.000 -0.153 0.000 1.394 437 I HN 0.283 nan 8.210 nan 0.000 0.552 438 L N 5.286 126.393 121.223 -0.193 0.000 1.976 438 L HA -0.086 4.253 4.340 -0.003 0.000 0.209 438 L C 0.255 176.702 176.870 -0.705 0.000 1.071 438 L CA 1.764 56.328 54.840 -0.460 0.000 0.746 438 L CB -0.266 41.497 42.059 -0.493 0.000 0.890 438 L HN 0.403 nan 8.230 nan 0.000 0.432 439 F N -1.399 118.495 119.950 -0.093 0.000 2.561 439 F HA 0.340 4.866 4.527 -0.002 0.000 0.321 439 F C -0.089 175.702 175.800 -0.015 0.000 1.065 439 F CA -0.810 57.170 58.000 -0.034 0.000 0.934 439 F CB 1.847 40.854 39.000 0.012 0.000 1.215 439 F HN -0.342 nan 8.300 nan 0.000 0.471 440 T N 1.541 116.232 114.554 0.227 0.000 3.064 440 T HA 0.416 4.764 4.350 -0.003 0.000 0.367 440 T C -0.700 174.157 174.700 0.261 0.000 1.202 440 T CA -0.639 61.580 62.100 0.200 0.000 1.133 440 T CB 0.387 69.418 68.868 0.272 0.000 1.074 440 T HN 0.550 nan 8.240 nan 0.000 0.519 441 V N 2.531 122.579 119.914 0.223 0.000 2.498 441 V HA 0.673 4.792 4.120 -0.003 0.000 0.279 441 V C -0.477 175.739 176.094 0.205 0.000 1.048 441 V CA -0.626 61.794 62.300 0.201 0.000 0.967 441 V CB 0.669 32.580 31.823 0.147 0.000 0.988 441 V HN 0.726 nan 8.190 nan 0.000 0.473 442 L N 5.752 127.097 121.223 0.205 0.000 2.287 442 L HA 0.538 4.877 4.340 -0.003 0.000 0.287 442 L C -0.376 176.574 176.870 0.132 0.000 1.022 442 L CA -0.502 54.447 54.840 0.181 0.000 0.814 442 L CB 1.945 44.123 42.059 0.197 0.000 1.217 442 L HN 0.578 nan 8.230 nan 0.000 0.420 443 V N 2.891 122.865 119.914 0.099 0.000 2.294 443 V HA 0.397 4.515 4.120 -0.003 0.000 0.272 443 V C 0.483 176.605 176.094 0.047 0.000 1.027 443 V CA -0.349 61.983 62.300 0.054 0.000 0.823 443 V CB 1.026 32.865 31.823 0.027 0.000 1.030 443 V HN 0.915 nan 8.190 nan 0.000 0.457 444 T N 0.716 115.298 114.554 0.046 0.000 2.819 444 T HA 0.438 4.786 4.350 -0.003 0.000 0.271 444 T C 0.950 175.661 174.700 0.019 0.000 0.986 444 T CA -0.308 61.817 62.100 0.041 0.000 0.989 444 T CB 1.579 70.486 68.868 0.065 0.000 1.396 444 T HN 0.371 nan 8.240 nan 0.000 0.597 445 E N 0.716 120.928 120.200 0.019 0.000 2.072 445 E HA -0.102 4.247 4.350 -0.003 0.000 0.191 445 E C 2.050 178.652 176.600 0.003 0.000 0.985 445 E CA 2.010 58.415 56.400 0.008 0.000 0.801 445 E CB -1.006 28.700 29.700 0.010 0.000 0.750 445 E HN 0.850 nan 8.360 nan 0.000 0.452 446 T N -2.964 111.600 114.554 0.017 0.000 3.219 446 T HA -0.047 4.301 4.350 -0.003 0.000 0.264 446 T C 1.176 175.859 174.700 -0.029 0.000 1.178 446 T CA 1.356 63.464 62.100 0.012 0.000 1.057 446 T CB -0.277 68.627 68.868 0.061 0.000 0.919 446 T HN 0.057 nan 8.240 nan 0.000 0.545 447 T N -0.201 114.331 114.554 -0.037 0.000 3.010 447 T HA 0.364 4.712 4.350 -0.003 0.000 0.252 447 T C 1.490 176.153 174.700 -0.061 0.000 0.963 447 T CA -0.311 61.744 62.100 -0.074 0.000 0.952 447 T CB -0.010 68.818 68.868 -0.066 0.000 1.182 447 T HN 0.239 nan 8.240 nan 0.000 0.495 448 L N 1.289 122.490 121.223 -0.036 0.000 2.109 448 L HA 0.073 4.411 4.340 -0.003 0.000 0.207 448 L C 2.294 179.148 176.870 -0.027 0.000 1.086 448 L CA 1.477 56.300 54.840 -0.028 0.000 0.760 448 L CB -0.100 41.948 42.059 -0.019 0.000 0.910 448 L HN 0.265 nan 8.230 nan 0.000 0.437 449 E N -0.060 120.124 120.200 -0.026 0.000 2.150 449 E HA -0.185 4.164 4.350 -0.003 0.000 0.193 449 E C 1.041 177.623 176.600 -0.029 0.000 0.985 449 E CA 1.551 57.938 56.400 -0.022 0.000 0.814 449 E CB 0.107 29.797 29.700 -0.017 0.000 0.752 449 E HN 0.761 nan 8.360 nan 0.000 0.466 450 N N -1.677 116.995 118.700 -0.048 0.000 3.326 450 N HA 0.147 4.885 4.740 -0.003 0.000 0.234 450 N C 0.681 176.134 175.510 -0.095 0.000 1.050 450 N CA 0.373 53.387 53.050 -0.060 0.000 1.141 450 N CB 0.553 38.998 38.487 -0.069 0.000 1.551 450 N HN 0.041 nan 8.380 nan 0.000 0.630 451 G N -0.321 108.376 108.800 -0.172 0.000 3.231 451 G HA2 0.225 4.183 3.960 -0.003 0.000 0.232 451 G HA3 0.225 4.183 3.960 -0.003 0.000 0.232 451 G C -1.680 172.911 174.900 -0.515 0.000 2.928 451 G CA -0.535 44.395 45.100 -0.283 0.000 0.879 451 G HN 0.145 nan 8.290 nan 0.000 0.424 452 L N 1.842 122.867 121.223 -0.329 0.000 2.518 452 L HA 0.491 4.829 4.340 -0.003 0.000 0.262 452 L C 0.538 177.227 176.870 -0.301 0.000 0.982 452 L CA -0.820 53.815 54.840 -0.343 0.000 0.873 452 L CB 0.686 42.561 42.059 -0.307 0.000 1.198 452 L HN 0.401 nan 8.230 nan 0.000 0.427 453 I N -0.390 120.035 120.570 -0.242 0.000 3.432 453 I HA 0.481 4.649 4.170 -0.003 0.000 0.291 453 I C 0.109 176.047 176.117 -0.299 0.000 1.127 453 I CA 0.060 61.254 61.300 -0.176 0.000 0.962 453 I CB 0.387 38.355 38.000 -0.053 0.000 1.550 453 I HN 0.319 nan 8.210 nan 0.000 0.736 454 H N 2.064 121.152 119.070 0.030 0.000 3.092 454 H HA 0.501 5.055 4.556 -0.002 0.000 0.308 454 H C -1.194 174.186 175.328 0.087 0.000 1.047 454 H CA -0.710 55.367 56.048 0.048 0.000 1.466 454 H CB 1.363 31.161 29.762 0.060 0.000 1.597 454 H HN 0.623 nan 8.280 nan 0.000 0.512 455 L N 0.464 121.804 121.223 0.195 0.000 2.375 455 L HA 0.659 4.998 4.340 -0.003 0.000 0.268 455 L C 0.705 177.691 176.870 0.194 0.000 1.058 455 L CA -0.568 54.384 54.840 0.188 0.000 0.803 455 L CB 1.187 43.319 42.059 0.122 0.000 1.212 455 L HN 0.364 nan 8.230 nan 0.000 0.451 456 R N 0.353 120.968 120.500 0.192 0.000 3.237 456 R HA 0.816 5.154 4.340 -0.003 0.000 0.193 456 R C -0.577 175.800 176.300 0.129 0.000 1.551 456 R CA -0.084 56.057 56.100 0.068 0.000 0.855 456 R CB 1.048 31.238 30.300 -0.183 0.000 2.062 456 R HN 0.887 nan 8.270 nan 0.000 0.507 457 S N -1.921 113.754 115.700 -0.041 0.000 2.655 457 S HA 0.315 4.783 4.470 -0.003 0.000 0.266 457 S C -0.482 174.008 174.600 -0.184 0.000 1.149 457 S CA -0.673 57.469 58.200 -0.096 0.000 0.818 457 S CB 1.548 64.749 63.200 0.002 0.000 1.130 457 S HN 0.615 nan 8.310 nan 0.000 0.476 458 R N -0.044 120.320 120.500 -0.227 0.000 2.197 458 R HA 0.215 4.553 4.340 -0.003 0.000 0.188 458 R C 0.642 176.880 176.300 -0.104 0.000 1.015 458 R CA 0.520 56.523 56.100 -0.163 0.000 1.132 458 R CB -0.430 29.753 30.300 -0.195 0.000 1.134 458 R HN 0.681 nan 8.270 nan 0.000 0.560 459 D N 0.671 121.009 120.400 -0.103 0.000 2.096 459 D HA -0.120 4.518 4.640 -0.003 0.000 0.214 459 D C 1.502 177.791 176.300 -0.018 0.000 0.974 459 D CA 2.201 56.176 54.000 -0.042 0.000 0.890 459 D CB -0.632 40.161 40.800 -0.013 0.000 1.016 459 D HN 0.318 nan 8.370 nan 0.000 0.447 460 T N -1.263 113.297 114.554 0.009 0.000 3.155 460 T HA -0.089 4.259 4.350 -0.003 0.000 0.264 460 T C 1.231 175.935 174.700 0.007 0.000 1.160 460 T CA 1.374 63.488 62.100 0.023 0.000 1.075 460 T CB -0.599 68.305 68.868 0.061 0.000 0.921 460 T HN 0.193 nan 8.240 nan 0.000 0.533 461 T N 1.358 115.899 114.554 -0.022 0.000 4.526 461 T HA -0.325 4.024 4.350 -0.003 0.000 0.332 461 T C 0.459 175.141 174.700 -0.029 0.000 0.846 461 T CA 1.307 63.379 62.100 -0.046 0.000 1.955 461 T CB -2.096 66.746 68.868 -0.043 0.000 2.056 461 T HN 0.924 nan 8.240 nan 0.000 0.866 462 M N -0.650 118.958 119.600 0.012 0.000 1.896 462 M HA 0.275 4.754 4.480 -0.003 0.000 0.195 462 M C 0.088 176.406 176.300 0.030 0.000 1.281 462 M CA 0.666 55.987 55.300 0.035 0.000 0.880 462 M CB 0.222 32.868 32.600 0.076 0.000 1.181 462 M HN 0.201 nan 8.290 nan 0.000 0.349 463 K N 0.969 121.397 120.400 0.046 0.000 2.633 463 K HA 0.171 4.489 4.320 -0.003 0.000 0.320 463 K C -1.627 175.013 176.600 0.066 0.000 1.312 463 K CA -0.255 56.066 56.287 0.056 0.000 1.081 463 K CB 1.117 33.636 32.500 0.032 0.000 1.406 463 K HN 0.806 nan 8.250 nan 0.000 0.519 464 E N 2.692 122.940 120.200 0.080 0.000 2.390 464 E HA 0.553 4.901 4.350 -0.003 0.000 0.249 464 E C -0.536 176.135 176.600 0.119 0.000 0.981 464 E CA -1.115 55.327 56.400 0.069 0.000 0.860 464 E CB 1.397 31.101 29.700 0.006 0.000 1.278 464 E HN 0.145 nan 8.360 nan 0.000 0.416 465 M N 1.055 120.691 119.600 0.059 0.000 2.209 465 M HA 0.415 4.893 4.480 -0.003 0.000 0.355 465 M C -0.782 175.471 176.300 -0.078 0.000 1.171 465 M CA -0.696 54.603 55.300 -0.002 0.000 1.069 465 M CB 1.411 34.014 32.600 0.004 0.000 1.622 465 M HN 0.580 nan 8.290 nan 0.000 0.459 466 M N 2.758 122.284 119.600 -0.124 0.000 2.324 466 M HA 0.335 4.813 4.480 -0.003 0.000 0.288 466 M C -1.173 175.082 176.300 -0.073 0.000 1.097 466 M CA -0.392 54.846 55.300 -0.104 0.000 0.928 466 M CB 1.570 34.085 32.600 -0.140 0.000 1.648 466 M HN 0.555 nan 8.290 nan 0.000 0.460 467 H N 4.567 123.578 119.070 -0.099 0.000 2.929 467 H HA 0.183 4.736 4.556 -0.006 0.000 0.317 467 H C 0.775 176.067 175.328 -0.061 0.000 1.031 467 H CA 0.846 56.849 56.048 -0.075 0.000 1.466 467 H CB 0.880 30.610 29.762 -0.054 0.000 1.482 467 H HN 0.953 nan 8.280 nan 0.000 0.561 468 I N 3.486 124.110 120.570 0.090 0.000 3.330 468 I HA -0.199 3.969 4.170 -0.003 0.000 0.298 468 I C 1.119 177.320 176.117 0.140 0.000 1.317 468 I CA 0.974 62.323 61.300 0.083 0.000 1.334 468 I CB -0.083 37.933 38.000 0.026 0.000 1.031 468 I HN 0.317 nan 8.210 nan 0.000 0.547 469 S N -0.204 115.622 115.700 0.210 0.000 2.666 469 S HA 0.221 4.689 4.470 -0.003 0.000 0.239 469 S C 1.044 175.647 174.600 0.005 0.000 1.031 469 S CA -0.352 57.886 58.200 0.063 0.000 1.015 469 S CB 0.172 63.346 63.200 -0.043 0.000 0.981 469 S HN 0.401 nan 8.310 nan 0.000 0.547 470 K N 0.870 121.291 120.400 0.034 0.000 2.564 470 K HA 0.296 4.614 4.320 -0.003 0.000 0.205 470 K C 0.559 177.193 176.600 0.057 0.000 1.053 470 K CA -0.046 56.256 56.287 0.024 0.000 1.072 470 K CB 0.707 33.208 32.500 0.002 0.000 0.822 470 K HN 0.199 nan 8.250 nan 0.000 0.497 471 L N 1.456 122.715 121.223 0.061 0.000 2.145 471 L HA -0.055 4.283 4.340 -0.003 0.000 0.201 471 L C 1.973 178.907 176.870 0.107 0.000 1.075 471 L CA 1.785 56.675 54.840 0.082 0.000 0.773 471 L CB 0.025 42.112 42.059 0.047 0.000 0.936 471 L HN -0.005 nan 8.230 nan 0.000 0.451 472 K N -0.942 119.496 120.400 0.063 0.000 2.057 472 K HA -0.181 4.138 4.320 -0.003 0.000 0.206 472 K C 1.922 178.547 176.600 0.041 0.000 1.050 472 K CA 1.786 58.096 56.287 0.039 0.000 0.935 472 K CB -1.219 31.296 32.500 0.026 0.000 0.715 472 K HN 0.360 nan 8.250 nan 0.000 0.439 473 D N 0.183 120.619 120.400 0.060 0.000 2.092 473 D HA -0.226 4.412 4.640 -0.003 0.000 0.193 473 D C 1.771 178.129 176.300 0.098 0.000 0.994 473 D CA 1.298 55.336 54.000 0.063 0.000 0.828 473 D CB -0.166 40.669 40.800 0.059 0.000 0.963 473 D HN 0.250 nan 8.370 nan 0.000 0.450 474 F N 1.727 121.661 119.950 -0.026 0.000 2.025 474 F HA -0.201 4.324 4.527 -0.004 0.000 0.297 474 F C 2.412 178.216 175.800 0.007 0.000 1.132 474 F CA 1.440 59.425 58.000 -0.026 0.000 1.191 474 F CB -0.948 37.995 39.000 -0.095 0.000 0.963 474 F HN -0.052 nan 8.300 nan 0.000 0.481 475 L N 0.361 121.394 121.223 -0.317 0.000 2.010 475 L HA -0.313 4.025 4.340 -0.003 0.000 0.219 475 L C 2.573 179.341 176.870 -0.171 0.000 1.077 475 L CA 2.072 56.687 54.840 -0.375 0.000 0.773 475 L CB -0.907 41.065 42.059 -0.145 0.000 0.892 475 L HN 0.255 nan 8.230 nan 0.000 0.436 476 I N -0.899 119.630 120.570 -0.069 0.000 2.756 476 I HA -0.197 3.971 4.170 -0.003 0.000 0.262 476 I C 2.317 178.432 176.117 -0.003 0.000 1.225 476 I CA 0.717 62.009 61.300 -0.013 0.000 1.472 476 I CB -0.206 37.798 38.000 0.006 0.000 1.094 476 I HN 0.220 nan 8.210 nan 0.000 0.454 477 K N -0.244 120.138 120.400 -0.029 0.000 2.242 477 K HA -0.042 4.276 4.320 -0.003 0.000 0.200 477 K C 1.879 178.462 176.600 -0.028 0.000 1.050 477 K CA 0.714 56.996 56.287 -0.009 0.000 0.981 477 K CB -0.218 32.298 32.500 0.027 0.000 0.795 477 K HN 0.210 nan 8.250 nan 0.000 0.477 478 Y N 1.775 121.915 120.300 -0.267 0.000 2.200 478 Y HA -0.095 4.453 4.550 -0.002 0.000 0.290 478 Y C 1.866 177.705 175.900 -0.102 0.000 1.137 478 Y CA 1.369 59.317 58.100 -0.254 0.000 1.163 478 Y CB -0.112 38.047 38.460 -0.502 0.000 0.988 478 Y HN -0.108 nan 8.280 nan 0.000 0.518 479 I N -1.581 119.117 120.570 0.213 0.000 2.333 479 I HA -0.179 3.989 4.170 -0.003 0.000 0.246 479 I C 2.203 178.387 176.117 0.112 0.000 1.106 479 I CA 1.306 62.720 61.300 0.189 0.000 1.411 479 I CB -0.592 37.489 38.000 0.136 0.000 1.082 479 I HN 0.040 nan 8.210 nan 0.000 0.420 480 S N -0.136 115.604 115.700 0.068 0.000 2.881 480 S HA 0.030 4.498 4.470 -0.003 0.000 0.228 480 S C 1.338 175.955 174.600 0.028 0.000 0.965 480 S CA 0.514 58.745 58.200 0.053 0.000 0.998 480 S CB -0.240 62.984 63.200 0.040 0.000 0.795 480 S HN 0.332 nan 8.310 nan 0.000 0.518 481 S N 0.209 115.917 115.700 0.013 0.000 3.597 481 S HA 0.375 4.843 4.470 -0.003 0.000 0.206 481 S C 2.024 176.607 174.600 -0.028 0.000 0.948 481 S CA 0.210 58.391 58.200 -0.031 0.000 0.863 481 S CB -0.876 62.270 63.200 -0.090 0.000 1.015 481 S HN 0.503 nan 8.310 nan 0.000 0.616 482 A N 2.210 124.994 122.820 -0.059 0.000 2.042 482 A HA -0.205 4.113 4.320 -0.003 0.000 0.222 482 A C 1.915 179.581 177.584 0.135 0.000 1.167 482 A CA 1.809 53.831 52.037 -0.025 0.000 0.649 482 A CB -0.537 18.408 19.000 -0.091 0.000 0.809 482 A HN 0.323 nan 8.150 nan 0.000 0.457 483 K N -0.014 120.477 120.400 0.151 0.000 2.025 483 K HA -0.102 4.216 4.320 -0.003 0.000 0.207 483 K C -0.310 176.303 176.600 0.023 0.000 1.049 483 K CA 1.225 57.599 56.287 0.145 0.000 0.933 483 K CB -0.260 32.335 32.500 0.160 0.000 0.714 483 K HN 0.466 nan 8.250 nan 0.000 0.438 484 N N 0.720 119.430 118.700 0.016 0.000 3.322 484 N HA 0.148 4.886 4.740 -0.003 0.000 0.290 484 N C -1.054 174.431 175.510 -0.042 0.000 1.297 484 N CA -0.143 52.898 53.050 -0.014 0.000 1.167 484 N CB 0.981 39.470 38.487 0.003 0.000 1.434 484 N HN -0.136 nan 8.380 nan 0.000 0.526 485 V N 0.000 119.870 119.914 -0.073 0.000 2.409 485 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 485 V CA 0.000 62.254 62.300 -0.077 0.000 1.235 485 V CB 0.000 31.786 31.823 -0.062 0.000 1.184 485 V HN 0.000 nan 8.190 nan 0.000 0.556