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 1sqb_1_C DATA FIRST_RESID 2 DATA SEQUENCE TNIRKSHPLM KIVNNAFIDL PAPSNISSWW NFGSLLGICL ILQILTGLFL DATA SEQUENCE AMHYTSDTTT AFSSVTHICR DVNYGWIIRY MHANGASMFF ICLYMHVGRG DATA SEQUENCE LYYGSYTFLE TWNIGVILLL TVMATAFMGY VLPWGQMSFW GATVITNLLS DATA SEQUENCE AIPYIGTNLV EWIWGGFSVD KATLTRFFAF HFILPFIIMA IAMVHLLFLH DATA SEQUENCE ETGSNNPTGI SSDVDKIPFH PYYTIKDILG ALLLILALML LVLFAPDLLG DATA SEQUENCE DPDNYTPANP LNTPPHIKPE WYFLFAYAIL RSIPNKLGGV LALAFSILIL DATA SEQUENCE ALIPLLHTSK QRSMMFRPLS QCLFWALVAD LLTLTWIGGQ PVEHPYITIG DATA SEQUENCE QLASVLYFLL ILVLMPTAGT IENKLLKW 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.704 174.700 0.007 0.000 1.109 2 T CA 0.000 62.104 62.100 0.007 0.000 1.349 2 T CB 0.000 68.874 68.868 0.010 0.000 0.612 3 N N 1.212 119.917 118.700 0.009 0.000 2.431 3 N HA 0.148 4.888 4.740 -0.000 0.000 0.265 3 N C 0.802 176.321 175.510 0.016 0.000 1.184 3 N CA -0.134 52.922 53.050 0.010 0.000 0.943 3 N CB 0.717 39.211 38.487 0.011 0.000 1.080 3 N HN 0.601 nan 8.380 nan 0.000 0.477 4 I N 4.063 124.640 120.570 0.012 0.000 2.756 4 I HA -0.097 4.073 4.170 -0.000 0.000 0.262 4 I C 2.217 178.363 176.117 0.049 0.000 1.225 4 I CA 0.743 62.057 61.300 0.024 0.000 1.472 4 I CB 0.047 38.041 38.000 -0.010 0.000 1.094 4 I HN 0.486 nan 8.210 nan 0.000 0.454 5 R N 0.302 120.821 120.500 0.031 0.000 2.127 5 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 5 R C 1.952 178.280 176.300 0.047 0.000 1.134 5 R CA 1.260 57.383 56.100 0.039 0.000 0.975 5 R CB -0.036 30.276 30.300 0.019 0.000 0.865 5 R HN 0.420 nan 8.270 nan 0.000 0.447 6 K N -0.613 119.810 120.400 0.038 0.000 2.141 6 K HA 0.030 4.350 4.320 -0.000 0.000 0.202 6 K C 2.183 178.803 176.600 0.033 0.000 1.045 6 K CA 1.287 57.592 56.287 0.029 0.000 0.971 6 K CB -0.071 32.441 32.500 0.020 0.000 0.795 6 K HN 0.103 nan 8.250 nan 0.000 0.459 7 S N 1.075 116.802 115.700 0.045 0.000 2.357 7 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 7 S C 1.078 175.717 174.600 0.065 0.000 1.031 7 S CA 0.471 58.699 58.200 0.046 0.000 0.982 7 S CB -0.862 62.365 63.200 0.045 0.000 0.853 7 S HN 0.401 nan 8.310 nan 0.000 0.458 8 H N 4.883 123.952 119.070 -0.001 0.000 3.046 8 H HA 0.241 4.797 4.556 -0.000 0.000 0.303 8 H C -1.967 173.361 175.328 0.001 0.000 1.002 8 H CA -1.506 54.542 56.048 -0.001 0.000 1.460 8 H CB 0.628 30.389 29.762 -0.001 0.000 1.493 8 H HN 0.004 nan 8.280 nan 0.000 0.559 9 P HA -0.227 nan 4.420 nan 0.000 0.217 9 P C 1.489 178.616 177.300 -0.289 0.000 1.151 9 P CA 1.252 64.162 63.100 -0.316 0.000 0.849 9 P CB 0.263 31.792 31.700 -0.286 0.000 0.787 10 L N -2.208 118.733 121.223 -0.469 0.000 2.049 10 L HA -0.053 4.287 4.340 -0.000 0.000 0.203 10 L C 2.481 179.371 176.870 0.033 0.000 1.074 10 L CA 1.369 56.132 54.840 -0.127 0.000 0.749 10 L CB -0.491 41.573 42.059 0.007 0.000 0.907 10 L HN -0.074 nan 8.230 nan 0.000 0.439 11 M N -0.630 119.086 119.600 0.195 0.000 2.213 11 M HA -0.258 4.222 4.480 -0.000 0.000 0.263 11 M C 2.222 178.577 176.300 0.091 0.000 1.062 11 M CA 1.420 56.827 55.300 0.179 0.000 1.105 11 M CB -0.287 32.453 32.600 0.232 0.000 1.385 11 M HN 0.141 nan 8.290 nan 0.000 0.417 12 K N 1.017 121.447 120.400 0.050 0.000 2.059 12 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 12 K C 1.704 178.312 176.600 0.013 0.000 1.050 12 K CA 1.525 57.822 56.287 0.017 0.000 0.927 12 K CB -0.056 32.434 32.500 -0.017 0.000 0.714 12 K HN 0.252 nan 8.250 nan 0.000 0.447 13 I N 1.033 121.612 120.570 0.016 0.000 2.202 13 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 13 I C 2.484 178.637 176.117 0.060 0.000 1.091 13 I CA 0.985 62.300 61.300 0.025 0.000 1.368 13 I CB -1.184 36.834 38.000 0.030 0.000 1.058 13 I HN 0.011 nan 8.210 nan 0.000 0.410 14 V N 1.585 121.571 119.914 0.120 0.000 2.332 14 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 14 V C 2.350 178.544 176.094 0.166 0.000 1.055 14 V CA 2.298 64.736 62.300 0.229 0.000 1.038 14 V CB -1.170 30.752 31.823 0.165 0.000 0.651 14 V HN 0.427 nan 8.190 nan 0.000 0.450 15 N N 0.893 119.639 118.700 0.077 0.000 2.084 15 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 15 N C 1.536 177.039 175.510 -0.012 0.000 1.030 15 N CA 1.902 54.976 53.050 0.040 0.000 0.849 15 N CB -0.324 38.181 38.487 0.030 0.000 1.012 15 N HN 0.513 nan 8.380 nan 0.000 0.423 16 N N -0.906 117.766 118.700 -0.047 0.000 2.459 16 N HA 0.098 4.838 4.740 -0.000 0.000 0.181 16 N C 1.004 176.337 175.510 -0.295 0.000 1.046 16 N CA 0.926 53.903 53.050 -0.121 0.000 0.904 16 N CB 0.066 38.505 38.487 -0.081 0.000 0.964 16 N HN 0.374 nan 8.380 nan 0.000 0.444 17 A N -1.297 121.332 122.820 -0.318 0.000 1.993 17 A HA 0.267 4.587 4.320 -0.000 0.000 0.207 17 A C 1.011 178.018 177.584 -0.961 0.000 1.224 17 A CA 0.456 52.096 52.037 -0.662 0.000 0.749 17 A CB 0.042 18.681 19.000 -0.602 0.000 0.884 17 A HN 0.204 nan 8.150 nan 0.000 0.467 18 F N -1.708 118.065 119.950 -0.295 0.000 2.789 18 F HA 0.406 4.933 4.527 -0.000 0.000 0.320 18 F C 1.537 177.288 175.800 -0.082 0.000 1.079 18 F CA 0.010 57.781 58.000 -0.382 0.000 1.205 18 F CB 0.408 39.297 39.000 -0.185 0.000 1.046 18 F HN 0.047 nan 8.300 nan 0.000 0.586 19 I N -0.569 120.089 120.570 0.145 0.000 3.196 19 I HA 0.063 4.233 4.170 -0.000 0.000 0.248 19 I C 0.975 177.212 176.117 0.201 0.000 1.105 19 I CA 0.650 62.067 61.300 0.195 0.000 1.482 19 I CB 0.160 38.207 38.000 0.077 0.000 1.400 19 I HN -0.233 nan 8.210 nan 0.000 0.464 20 D N 0.748 121.210 120.400 0.104 0.000 2.369 20 D HA 0.169 4.809 4.640 -0.000 0.000 0.211 20 D C 0.313 176.654 176.300 0.067 0.000 1.077 20 D CA -0.106 53.947 54.000 0.088 0.000 0.842 20 D CB 0.316 41.144 40.800 0.047 0.000 0.947 20 D HN -0.048 nan 8.370 nan 0.000 0.509 21 L N 2.074 123.321 121.223 0.040 0.000 2.584 21 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 21 L C -2.390 174.548 176.870 0.113 0.000 1.195 21 L CA -0.838 53.995 54.840 -0.012 0.000 0.920 21 L CB 0.295 42.254 42.059 -0.168 0.000 1.173 21 L HN -0.215 nan 8.230 nan 0.000 0.489 22 P HA 0.257 nan 4.420 nan 0.000 0.276 22 P C -1.245 176.126 177.300 0.118 0.000 1.264 22 P CA -0.018 63.139 63.100 0.095 0.000 0.769 22 P CB 0.893 32.624 31.700 0.051 0.000 0.840 23 A N 5.819 128.746 122.820 0.178 0.000 2.355 23 A HA 0.736 5.056 4.320 -0.000 0.000 0.324 23 A C -2.671 174.982 177.584 0.114 0.000 1.117 23 A CA -2.320 49.818 52.037 0.168 0.000 0.785 23 A CB 0.553 19.724 19.000 0.284 0.000 1.254 23 A HN 0.266 nan 8.150 nan 0.000 0.453 24 P HA 0.041 nan 4.420 nan 0.000 0.265 24 P C 0.990 178.292 177.300 0.004 0.000 1.193 24 P CA 0.408 63.478 63.100 -0.051 0.000 0.765 24 P CB 0.820 32.409 31.700 -0.186 0.000 0.823 25 S N 1.843 117.525 115.700 -0.029 0.000 2.442 25 S HA -0.156 4.314 4.470 -0.000 0.000 0.236 25 S C 1.112 175.675 174.600 -0.062 0.000 1.007 25 S CA 1.090 59.250 58.200 -0.066 0.000 0.965 25 S CB -0.816 62.317 63.200 -0.113 0.000 0.773 25 S HN 0.598 nan 8.310 nan 0.000 0.504 26 N N 1.733 120.365 118.700 -0.113 0.000 2.234 26 N HA 0.125 4.865 4.740 -0.000 0.000 0.227 26 N C 0.251 175.597 175.510 -0.273 0.000 1.151 26 N CA -0.439 52.521 53.050 -0.149 0.000 0.865 26 N CB -0.448 37.960 38.487 -0.130 0.000 1.066 26 N HN 0.709 nan 8.380 nan 0.000 0.515 27 I N -0.902 119.439 120.570 -0.383 0.000 2.556 27 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 27 I C 0.308 176.253 176.117 -0.286 0.000 1.114 27 I CA -0.545 60.303 61.300 -0.754 0.000 1.418 27 I CB 0.669 37.899 38.000 -1.284 0.000 1.394 27 I HN -0.212 nan 8.210 nan 0.000 0.552 28 S N 3.871 119.497 115.700 -0.123 0.000 2.606 28 S HA 0.033 4.503 4.470 -0.000 0.000 0.257 28 S C 1.414 176.195 174.600 0.302 0.000 1.327 28 S CA -0.318 58.033 58.200 0.252 0.000 0.984 28 S CB 1.123 64.681 63.200 0.596 0.000 0.941 28 S HN 0.826 nan 8.310 nan 0.000 0.576 29 S N 0.107 115.887 115.700 0.133 0.000 2.465 29 S HA -0.124 4.346 4.470 -0.000 0.000 0.241 29 S C 1.130 175.704 174.600 -0.044 0.000 1.000 29 S CA 0.969 59.138 58.200 -0.051 0.000 0.964 29 S CB -0.309 62.758 63.200 -0.223 0.000 0.763 29 S HN 0.742 nan 8.310 nan 0.000 0.512 30 W N 0.243 121.772 121.300 0.381 0.000 2.699 30 W HA 0.113 4.773 4.660 -0.000 0.000 0.249 30 W C 1.574 178.254 176.519 0.268 0.000 1.280 30 W CA -0.439 57.165 57.345 0.432 0.000 1.345 30 W CB -0.204 29.451 29.460 0.325 0.000 1.128 30 W HN 0.364 nan 8.180 nan 0.000 0.642 31 W N 0.079 121.522 121.300 0.238 0.000 3.139 31 W HA -0.009 4.651 4.660 -0.000 0.000 0.260 31 W C 0.903 177.491 176.519 0.114 0.000 1.312 31 W CA 0.183 57.614 57.345 0.143 0.000 1.606 31 W CB -0.373 29.076 29.460 -0.018 0.000 1.118 31 W HN -0.056 nan 8.180 nan 0.000 0.675 32 N N 0.462 119.248 118.700 0.143 0.000 2.270 32 N HA -0.116 4.624 4.740 -0.000 0.000 0.181 32 N C 1.223 176.682 175.510 -0.084 0.000 1.016 32 N CA 1.203 54.218 53.050 -0.059 0.000 0.870 32 N CB -0.822 37.495 38.487 -0.283 0.000 0.979 32 N HN -0.042 nan 8.380 nan 0.000 0.431 33 F N 0.390 120.467 119.950 0.212 0.000 2.333 33 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 33 F C 2.404 178.311 175.800 0.179 0.000 1.083 33 F CA 0.838 58.964 58.000 0.210 0.000 1.395 33 F CB -0.899 38.275 39.000 0.290 0.000 1.056 33 F HN 0.075 nan 8.300 nan 0.000 0.529 34 G N -0.441 108.633 108.800 0.456 0.000 2.418 34 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 34 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 34 G C 1.853 176.858 174.900 0.175 0.000 1.158 34 G CA 1.172 46.476 45.100 0.341 0.000 0.771 34 G HN 0.450 nan 8.290 nan 0.000 0.545 35 S N 0.355 116.172 115.700 0.195 0.000 2.387 35 S HA 0.053 4.523 4.470 -0.000 0.000 0.226 35 S C 2.408 177.038 174.600 0.050 0.000 1.026 35 S CA 0.926 59.222 58.200 0.159 0.000 0.972 35 S CB -0.344 62.989 63.200 0.223 0.000 0.814 35 S HN 0.272 nan 8.310 nan 0.000 0.477 36 L N 0.674 121.909 121.223 0.020 0.000 2.131 36 L HA -0.000 4.340 4.340 -0.000 0.000 0.210 36 L C 2.590 179.379 176.870 -0.135 0.000 1.092 36 L CA 0.958 55.776 54.840 -0.036 0.000 0.759 36 L CB -0.616 41.436 42.059 -0.012 0.000 0.903 36 L HN 0.314 nan 8.230 nan 0.000 0.435 37 L N -0.482 120.641 121.223 -0.167 0.000 2.046 37 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 37 L C 2.681 179.278 176.870 -0.455 0.000 1.077 37 L CA 1.397 55.986 54.840 -0.418 0.000 0.747 37 L CB -1.052 40.800 42.059 -0.345 0.000 0.896 37 L HN 0.298 nan 8.230 nan 0.000 0.432 38 G N 0.214 108.894 108.800 -0.200 0.000 2.418 38 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 38 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 38 G C 1.514 176.333 174.900 -0.135 0.000 1.158 38 G CA 0.492 45.522 45.100 -0.116 0.000 0.771 38 G HN 0.159 nan 8.290 nan 0.000 0.545 39 I N 0.997 121.490 120.570 -0.128 0.000 2.179 39 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 39 I C 2.925 178.936 176.117 -0.178 0.000 1.088 39 I CA 0.691 61.924 61.300 -0.113 0.000 1.357 39 I CB -1.430 36.525 38.000 -0.075 0.000 1.051 39 I HN 0.175 nan 8.210 nan 0.000 0.409 40 C N 0.443 119.545 119.300 -0.330 0.000 2.425 40 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 40 C C 2.855 177.574 174.990 -0.452 0.000 1.280 40 C CA 0.345 59.085 59.018 -0.462 0.000 1.744 40 C CB -1.099 26.160 27.740 -0.802 0.000 1.989 40 C HN 0.494 nan 8.230 nan 0.000 0.491 41 L N 0.513 121.422 121.223 -0.523 0.000 2.093 41 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 41 L C 2.198 179.056 176.870 -0.021 0.000 1.085 41 L CA 1.893 56.669 54.840 -0.107 0.000 0.755 41 L CB -0.667 41.368 42.059 -0.039 0.000 0.904 41 L HN 0.177 nan 8.230 nan 0.000 0.435 42 I N -0.882 119.658 120.570 -0.051 0.000 2.202 42 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 42 I C 2.501 178.626 176.117 0.013 0.000 1.091 42 I CA 1.239 62.539 61.300 -0.000 0.000 1.368 42 I CB -0.980 37.016 38.000 -0.007 0.000 1.058 42 I HN 0.310 nan 8.210 nan 0.000 0.410 43 L N 0.525 121.740 121.223 -0.014 0.000 2.042 43 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 43 L C 2.694 179.607 176.870 0.072 0.000 1.076 43 L CA 1.627 56.472 54.840 0.009 0.000 0.749 43 L CB -0.325 41.725 42.059 -0.015 0.000 0.893 43 L HN 0.257 nan 8.230 nan 0.000 0.432 44 Q N -0.565 119.286 119.800 0.086 0.000 2.167 44 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 44 Q C 2.319 178.423 176.000 0.174 0.000 0.970 44 Q CA 1.702 57.604 55.803 0.166 0.000 0.855 44 Q CB -0.209 28.606 28.738 0.129 0.000 0.911 44 Q HN 0.596 nan 8.270 nan 0.000 0.438 45 I N 0.167 120.779 120.570 0.069 0.000 2.286 45 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 45 I C 2.093 178.268 176.117 0.096 0.000 1.104 45 I CA 0.764 62.084 61.300 0.033 0.000 1.397 45 I CB -0.033 38.005 38.000 0.063 0.000 1.072 45 I HN 0.101 nan 8.210 nan 0.000 0.417 46 L N -0.343 120.949 121.223 0.115 0.000 2.131 46 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 46 L C 2.674 179.633 176.870 0.147 0.000 1.087 46 L CA 1.668 56.599 54.840 0.152 0.000 0.767 46 L CB -0.860 41.240 42.059 0.069 0.000 0.917 46 L HN 0.383 nan 8.230 nan 0.000 0.441 47 T N -3.402 111.204 114.554 0.087 0.000 2.851 47 T HA -0.041 4.309 4.350 -0.000 0.000 0.262 47 T C 2.006 176.649 174.700 -0.093 0.000 1.043 47 T CA 0.799 62.925 62.100 0.043 0.000 1.140 47 T CB -0.921 68.028 68.868 0.134 0.000 0.872 47 T HN 0.330 nan 8.240 nan 0.000 0.446 48 G N 1.522 110.192 108.800 -0.216 0.000 2.442 48 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 48 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 48 G C 1.470 176.226 174.900 -0.241 0.000 1.141 48 G CA 0.994 45.804 45.100 -0.482 0.000 0.763 48 G HN 0.463 nan 8.290 nan 0.000 0.554 49 L N -0.781 120.399 121.223 -0.071 0.000 2.056 49 L HA 0.212 4.552 4.340 -0.000 0.000 0.207 49 L C 2.483 179.364 176.870 0.019 0.000 1.078 49 L CA 1.365 56.189 54.840 -0.027 0.000 0.749 49 L CB -0.347 41.749 42.059 0.062 0.000 0.901 49 L HN 0.181 nan 8.230 nan 0.000 0.433 50 F N -0.884 119.040 119.950 -0.043 0.000 2.293 50 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 50 F C 2.137 177.962 175.800 0.041 0.000 1.086 50 F CA 1.032 59.032 58.000 -0.000 0.000 1.375 50 F CB -0.496 38.505 39.000 0.002 0.000 1.045 50 F HN 0.015 nan 8.300 nan 0.000 0.516 51 L N -0.802 120.497 121.223 0.127 0.000 2.056 51 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 51 L C 2.632 179.571 176.870 0.115 0.000 1.078 51 L CA 1.089 55.970 54.840 0.068 0.000 0.749 51 L CB -0.873 41.117 42.059 -0.116 0.000 0.901 51 L HN 0.105 nan 8.230 nan 0.000 0.433 52 A N -0.530 122.346 122.820 0.093 0.000 2.067 52 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 52 A C 2.215 179.902 177.584 0.171 0.000 1.158 52 A CA 1.138 53.322 52.037 0.245 0.000 0.661 52 A CB -0.442 18.760 19.000 0.337 0.000 0.801 52 A HN 0.367 nan 8.150 nan 0.000 0.452 53 M N -1.200 118.390 119.600 -0.017 0.000 2.460 53 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 53 M C 1.232 177.277 176.300 -0.425 0.000 1.071 53 M CA 0.998 56.145 55.300 -0.255 0.000 1.096 53 M CB -0.119 32.206 32.600 -0.458 0.000 1.408 53 M HN 0.491 nan 8.290 nan 0.000 0.463 54 H N -3.257 115.871 119.070 0.096 0.000 3.457 54 H HA 0.157 4.713 4.556 -0.000 0.000 0.255 54 H C -0.306 175.087 175.328 0.107 0.000 1.082 54 H CA -0.227 55.886 56.048 0.110 0.000 1.189 54 H CB 0.195 29.997 29.762 0.067 0.000 1.511 54 H HN 0.223 nan 8.280 nan 0.000 0.527 55 Y N 3.296 123.625 120.300 0.047 0.000 2.359 55 Y HA 0.204 4.754 4.550 -0.000 0.000 0.330 55 Y C -0.089 175.712 175.900 -0.165 0.000 1.143 55 Y CA -0.024 58.025 58.100 -0.086 0.000 1.318 55 Y CB 0.777 39.120 38.460 -0.195 0.000 1.234 55 Y HN -0.167 nan 8.280 nan 0.000 0.522 56 T N 4.530 118.458 114.554 -1.045 0.000 2.794 56 T HA 0.129 4.479 4.350 -0.000 0.000 0.280 56 T C 0.475 174.406 174.700 -1.281 0.000 0.987 56 T CA -0.641 60.947 62.100 -0.853 0.000 0.993 56 T CB 1.474 70.058 68.868 -0.473 0.000 0.939 56 T HN 0.672 nan 8.240 nan 0.000 0.449 57 S N 1.717 116.984 115.700 -0.721 0.000 2.634 57 S HA 0.070 4.540 4.470 -0.000 0.000 0.221 57 S C 0.170 174.588 174.600 -0.304 0.000 0.952 57 S CA -0.318 57.620 58.200 -0.436 0.000 0.930 57 S CB -0.210 62.920 63.200 -0.116 0.000 0.780 57 S HN 0.693 nan 8.310 nan 0.000 0.498 58 D N 0.530 120.718 120.400 -0.353 0.000 2.248 58 D HA 0.203 4.843 4.640 -0.000 0.000 0.246 58 D C 1.352 177.436 176.300 -0.359 0.000 1.027 58 D CA -0.019 53.800 54.000 -0.302 0.000 0.853 58 D CB 2.232 42.902 40.800 -0.217 0.000 1.243 58 D HN 0.262 nan 8.370 nan 0.000 0.462 59 T N 0.122 114.418 114.554 -0.429 0.000 2.822 59 T HA -0.176 4.174 4.350 -0.000 0.000 0.270 59 T C 1.620 176.213 174.700 -0.178 0.000 1.064 59 T CA 1.774 63.570 62.100 -0.507 0.000 1.131 59 T CB -0.418 68.193 68.868 -0.428 0.000 0.858 59 T HN 0.422 nan 8.240 nan 0.000 0.483 60 T N 2.699 117.170 114.554 -0.139 0.000 2.569 60 T HA -0.103 4.247 4.350 -0.000 0.000 0.263 60 T C 2.003 176.677 174.700 -0.043 0.000 1.074 60 T CA 2.022 64.078 62.100 -0.072 0.000 1.176 60 T CB -1.005 67.813 68.868 -0.083 0.000 0.863 60 T HN 0.744 nan 8.240 nan 0.000 0.410 61 T N -0.903 113.598 114.554 -0.088 0.000 3.248 61 T HA 0.714 5.064 4.350 -0.000 0.000 0.271 61 T C 1.667 176.300 174.700 -0.112 0.000 1.005 61 T CA 0.267 62.328 62.100 -0.065 0.000 0.902 61 T CB 0.022 68.837 68.868 -0.088 0.000 1.102 61 T HN 0.317 nan 8.240 nan 0.000 0.548 62 A N 1.221 123.968 122.820 -0.122 0.000 1.883 62 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 62 A C 1.727 179.370 177.584 0.097 0.000 1.186 62 A CA 1.155 53.111 52.037 -0.134 0.000 0.624 62 A CB -0.994 17.940 19.000 -0.110 0.000 0.822 62 A HN 0.577 nan 8.150 nan 0.000 0.444 63 F N 1.369 121.352 119.950 0.054 0.000 2.186 63 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 63 F C 2.573 178.389 175.800 0.028 0.000 1.090 63 F CA 1.780 59.819 58.000 0.066 0.000 1.307 63 F CB -0.001 39.045 39.000 0.076 0.000 1.019 63 F HN 0.234 nan 8.300 nan 0.000 0.489 64 S N -0.361 115.462 115.700 0.205 0.000 2.387 64 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 64 S C 2.198 176.829 174.600 0.053 0.000 1.026 64 S CA 1.127 59.399 58.200 0.121 0.000 0.972 64 S CB -0.803 62.448 63.200 0.084 0.000 0.814 64 S HN 0.544 nan 8.310 nan 0.000 0.477 65 S N 2.121 117.827 115.700 0.009 0.000 2.368 65 S HA -0.064 4.405 4.470 -0.000 0.000 0.225 65 S C 1.917 176.567 174.600 0.082 0.000 1.030 65 S CA 1.100 59.330 58.200 0.049 0.000 0.999 65 S CB -0.971 62.169 63.200 -0.099 0.000 0.844 65 S HN 0.306 nan 8.310 nan 0.000 0.459 66 V N 2.427 122.351 119.914 0.017 0.000 2.332 66 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 66 V C 2.879 178.900 176.094 -0.122 0.000 1.055 66 V CA 2.320 64.582 62.300 -0.063 0.000 1.038 66 V CB -1.617 30.095 31.823 -0.184 0.000 0.651 66 V HN 0.595 nan 8.190 nan 0.000 0.450 67 T N -0.989 113.485 114.554 -0.133 0.000 2.708 67 T HA -0.259 4.091 4.350 -0.000 0.000 0.266 67 T C 1.844 176.557 174.700 0.020 0.000 1.037 67 T CA 1.858 63.921 62.100 -0.062 0.000 1.146 67 T CB -0.511 68.354 68.868 -0.005 0.000 0.865 67 T HN 0.704 nan 8.240 nan 0.000 0.435 68 H N 0.858 119.906 119.070 -0.038 0.000 2.353 68 H HA -0.091 4.465 4.556 -0.000 0.000 0.298 68 H C 2.219 177.511 175.328 -0.060 0.000 1.103 68 H CA 1.541 57.569 56.048 -0.035 0.000 1.293 68 H CB -0.333 29.412 29.762 -0.028 0.000 1.372 68 H HN 0.340 nan 8.280 nan 0.000 0.501 69 I N 0.454 120.861 120.570 -0.271 0.000 2.113 69 I HA -0.354 3.816 4.170 -0.000 0.000 0.238 69 I C 2.949 178.947 176.117 -0.199 0.000 1.070 69 I CA 1.488 62.594 61.300 -0.324 0.000 1.332 69 I CB -0.373 37.531 38.000 -0.160 0.000 1.044 69 I HN 0.373 nan 8.210 nan 0.000 0.402 70 C N 0.186 119.425 119.300 -0.101 0.000 2.435 70 C HA -0.051 4.409 4.460 -0.000 0.000 0.279 70 C C 2.801 177.839 174.990 0.080 0.000 1.321 70 C CA 0.564 59.588 59.018 0.010 0.000 1.752 70 C CB -1.304 26.441 27.740 0.009 0.000 1.959 70 C HN 0.412 nan 8.230 nan 0.000 0.500 71 R N 0.512 121.023 120.500 0.018 0.000 2.074 71 R HA 0.017 4.357 4.340 -0.000 0.000 0.218 71 R C 1.439 177.743 176.300 0.007 0.000 1.137 71 R CA 1.027 57.143 56.100 0.027 0.000 0.998 71 R CB -0.207 30.118 30.300 0.041 0.000 0.895 71 R HN 0.457 nan 8.270 nan 0.000 0.442 72 D N 0.188 120.568 120.400 -0.034 0.000 2.338 72 D HA 0.034 4.674 4.640 -0.000 0.000 0.224 72 D C 0.407 176.632 176.300 -0.125 0.000 0.967 72 D CA 0.391 54.372 54.000 -0.031 0.000 0.896 72 D CB 0.147 41.014 40.800 0.111 0.000 1.028 72 D HN -0.141 nan 8.370 nan 0.000 0.493 73 V N 2.747 122.474 119.914 -0.313 0.000 2.493 73 V HA -0.056 4.063 4.120 -0.000 0.000 0.292 73 V C 0.359 176.339 176.094 -0.189 0.000 1.016 73 V CA -0.296 61.779 62.300 -0.374 0.000 1.097 73 V CB -0.111 31.280 31.823 -0.720 0.000 0.947 73 V HN 0.061 nan 8.190 nan 0.000 0.479 74 N N 4.931 123.555 118.700 -0.126 0.000 2.394 74 N HA -0.002 4.738 4.740 -0.000 0.000 0.277 74 N C -0.071 175.427 175.510 -0.021 0.000 1.346 74 N CA 0.572 53.556 53.050 -0.110 0.000 0.910 74 N CB -0.617 37.859 38.487 -0.018 0.000 1.201 74 N HN 0.653 nan 8.380 nan 0.000 0.488 75 Y N -1.651 118.589 120.300 -0.100 0.000 4.409 75 Y HA -0.281 4.269 4.550 -0.000 0.000 0.228 75 Y C 1.741 177.341 175.900 -0.500 0.000 1.108 75 Y CA 0.614 58.488 58.100 -0.377 0.000 1.955 75 Y CB -1.774 36.483 38.460 -0.338 0.000 1.615 75 Y HN 0.614 nan 8.280 nan 0.000 0.665 76 G N 0.499 109.182 108.800 -0.195 0.000 2.422 76 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 76 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 76 G C 1.362 176.122 174.900 -0.233 0.000 1.146 76 G CA 0.840 45.819 45.100 -0.201 0.000 0.769 76 G HN 0.803 nan 8.290 nan 0.000 0.547 77 W N 0.338 121.533 121.300 -0.174 0.000 2.363 77 W HA 0.006 4.666 4.660 -0.000 0.000 0.296 77 W C 1.717 178.078 176.519 -0.263 0.000 1.212 77 W CA 0.222 57.388 57.345 -0.298 0.000 1.260 77 W CB -0.992 28.408 29.460 -0.100 0.000 1.131 77 W HN 0.079 nan 8.180 nan 0.000 0.530 78 I N 1.554 121.526 120.570 -0.996 0.000 2.315 78 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 78 I C 2.343 178.250 176.117 -0.349 0.000 1.117 78 I CA 1.309 62.127 61.300 -0.803 0.000 1.404 78 I CB -0.681 36.661 38.000 -1.097 0.000 1.071 78 I HN -0.064 nan 8.210 nan 0.000 0.419 79 I N -0.012 120.366 120.570 -0.320 0.000 2.286 79 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 79 I C 2.712 178.768 176.117 -0.101 0.000 1.104 79 I CA 0.761 61.952 61.300 -0.182 0.000 1.397 79 I CB -0.464 37.444 38.000 -0.154 0.000 1.072 79 I HN 0.115 nan 8.210 nan 0.000 0.417 80 R N 0.442 120.829 120.500 -0.190 0.000 2.073 80 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 80 R C 2.306 178.584 176.300 -0.037 0.000 1.134 80 R CA 1.961 57.954 56.100 -0.178 0.000 0.952 80 R CB -0.479 29.605 30.300 -0.360 0.000 0.850 80 R HN 0.294 nan 8.270 nan 0.000 0.433 81 Y N -0.160 120.226 120.300 0.143 0.000 2.373 81 Y HA -0.033 4.517 4.550 -0.000 0.000 0.293 81 Y C 2.307 178.290 175.900 0.140 0.000 1.129 81 Y CA 0.649 58.849 58.100 0.166 0.000 1.226 81 Y CB -0.608 37.977 38.460 0.207 0.000 1.000 81 Y HN 0.038 nan 8.280 nan 0.000 0.549 82 M N -1.151 118.566 119.600 0.194 0.000 2.175 82 M HA -0.211 4.269 4.480 -0.000 0.000 0.264 82 M C 2.088 178.489 176.300 0.168 0.000 1.063 82 M CA 1.663 57.043 55.300 0.134 0.000 1.119 82 M CB -0.170 32.453 32.600 0.038 0.000 1.377 82 M HN 0.296 nan 8.290 nan 0.000 0.415 83 H N -0.699 118.419 119.070 0.080 0.000 2.343 83 H HA 0.144 4.700 4.556 -0.000 0.000 0.303 83 H C 1.827 177.242 175.328 0.146 0.000 1.068 83 H CA 1.839 57.942 56.048 0.091 0.000 1.359 83 H CB -0.036 29.760 29.762 0.057 0.000 1.402 83 H HN 0.350 nan 8.280 nan 0.000 0.515 84 A N 0.467 123.418 122.820 0.217 0.000 1.933 84 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 84 A C 2.103 179.821 177.584 0.224 0.000 1.175 84 A CA 1.749 53.918 52.037 0.220 0.000 0.628 84 A CB -0.313 18.871 19.000 0.308 0.000 0.814 84 A HN 0.519 nan 8.150 nan 0.000 0.444 85 N N -0.183 118.656 118.700 0.232 0.000 2.376 85 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 85 N C 1.834 177.464 175.510 0.199 0.000 1.024 85 N CA 1.091 54.281 53.050 0.234 0.000 0.893 85 N CB -0.464 38.157 38.487 0.223 0.000 0.980 85 N HN 0.469 nan 8.380 nan 0.000 0.439 86 G N 1.012 109.895 108.800 0.138 0.000 2.422 86 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 86 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 86 G C 1.664 176.641 174.900 0.128 0.000 1.146 86 G CA 1.032 46.195 45.100 0.105 0.000 0.769 86 G HN 0.388 nan 8.290 nan 0.000 0.547 87 A N 0.495 123.356 122.820 0.068 0.000 1.933 87 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 87 A C 2.677 180.293 177.584 0.052 0.000 1.175 87 A CA 2.282 54.343 52.037 0.040 0.000 0.628 87 A CB -0.618 18.370 19.000 -0.020 0.000 0.814 87 A HN 0.320 nan 8.150 nan 0.000 0.444 88 S N -1.029 114.790 115.700 0.198 0.000 2.371 88 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 88 S C 2.085 176.962 174.600 0.462 0.000 1.029 88 S CA 1.468 59.907 58.200 0.397 0.000 0.978 88 S CB -0.303 63.313 63.200 0.694 0.000 0.833 88 S HN 0.442 nan 8.310 nan 0.000 0.466 89 M N 0.518 120.318 119.600 0.333 0.000 2.082 89 M HA -0.077 4.403 4.480 -0.000 0.000 0.258 89 M C 1.814 178.255 176.300 0.234 0.000 1.069 89 M CA 1.364 56.824 55.300 0.266 0.000 1.102 89 M CB -1.583 31.121 32.600 0.173 0.000 1.336 89 M HN 0.309 nan 8.290 nan 0.000 0.404 90 F N -0.041 119.904 119.950 -0.009 0.000 2.154 90 F HA -0.250 4.277 4.527 -0.000 0.000 0.301 90 F C 2.110 177.698 175.800 -0.354 0.000 1.087 90 F CA 1.527 59.416 58.000 -0.185 0.000 1.274 90 F CB -0.640 38.197 39.000 -0.271 0.000 1.009 90 F HN 0.017 nan 8.300 nan 0.000 0.485 91 F N -0.367 119.546 119.950 -0.062 0.000 2.293 91 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 91 F C 2.297 178.042 175.800 -0.092 0.000 1.089 91 F CA 1.172 58.952 58.000 -0.366 0.000 1.377 91 F CB -0.714 37.777 39.000 -0.849 0.000 1.051 91 F HN 0.027 nan 8.300 nan 0.000 0.511 92 I N -1.523 119.354 120.570 0.511 0.000 2.286 92 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 92 I C 2.054 178.293 176.117 0.204 0.000 1.115 92 I CA 1.693 63.292 61.300 0.498 0.000 1.392 92 I CB -0.936 37.284 38.000 0.367 0.000 1.065 92 I HN 0.064 nan 8.210 nan 0.000 0.418 93 C N 0.734 120.119 119.300 0.141 0.000 2.466 93 C HA 0.031 4.491 4.460 -0.000 0.000 0.278 93 C C 2.727 177.719 174.990 0.003 0.000 1.288 93 C CA 0.575 59.652 59.018 0.098 0.000 1.722 93 C CB -1.258 26.602 27.740 0.199 0.000 2.017 93 C HN 0.604 nan 8.230 nan 0.000 0.488 94 L N -0.292 120.872 121.223 -0.099 0.000 2.042 94 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 94 L C 2.601 179.488 176.870 0.029 0.000 1.076 94 L CA 1.745 56.487 54.840 -0.163 0.000 0.749 94 L CB -0.611 41.148 42.059 -0.501 0.000 0.893 94 L HN 0.339 nan 8.230 nan 0.000 0.432 95 Y N -0.966 119.394 120.300 0.099 0.000 2.184 95 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 95 Y C 2.609 178.534 175.900 0.042 0.000 1.129 95 Y CA 0.657 58.814 58.100 0.095 0.000 1.144 95 Y CB -0.691 37.873 38.460 0.173 0.000 0.995 95 Y HN 0.101 nan 8.280 nan 0.000 0.513 96 M N -0.969 118.685 119.600 0.090 0.000 2.080 96 M HA -0.259 4.221 4.480 -0.000 0.000 0.260 96 M C 2.115 178.449 176.300 0.056 0.000 1.068 96 M CA 2.068 57.327 55.300 -0.069 0.000 1.109 96 M CB -1.420 30.656 32.600 -0.873 0.000 1.342 96 M HN 0.345 nan 8.290 nan 0.000 0.405 97 H N 0.570 119.626 119.070 -0.023 0.000 2.290 97 H HA -0.108 4.448 4.556 -0.000 0.000 0.298 97 H C 2.049 177.459 175.328 0.136 0.000 1.087 97 H CA 2.204 58.319 56.048 0.112 0.000 1.291 97 H CB 0.005 29.843 29.762 0.125 0.000 1.369 97 H HN 0.052 nan 8.280 nan 0.000 0.492 98 V N -0.155 119.919 119.914 0.267 0.000 2.295 98 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 98 V C 2.688 178.938 176.094 0.260 0.000 1.049 98 V CA 1.854 64.299 62.300 0.241 0.000 1.024 98 V CB -1.155 30.781 31.823 0.188 0.000 0.648 98 V HN 0.741 nan 8.190 nan 0.000 0.447 99 G N -0.152 108.757 108.800 0.181 0.000 2.446 99 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 99 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 99 G C 1.723 176.694 174.900 0.119 0.000 1.168 99 G CA 0.886 46.095 45.100 0.181 0.000 0.771 99 G HN 0.321 nan 8.290 nan 0.000 0.551 100 R N 1.137 121.636 120.500 -0.002 0.000 2.096 100 R HA -0.090 4.250 4.340 -0.000 0.000 0.240 100 R C 2.708 179.020 176.300 0.019 0.000 1.139 100 R CA 2.055 58.122 56.100 -0.055 0.000 0.952 100 R CB -1.276 28.980 30.300 -0.074 0.000 0.854 100 R HN 0.311 nan 8.270 nan 0.000 0.436 101 G N 0.985 109.830 108.800 0.075 0.000 2.422 101 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 101 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 101 G C 1.569 176.573 174.900 0.174 0.000 1.146 101 G CA 0.648 45.858 45.100 0.185 0.000 0.769 101 G HN 0.345 nan 8.290 nan 0.000 0.547 102 L N -1.300 120.074 121.223 0.251 0.000 2.044 102 L HA 0.134 4.474 4.340 -0.000 0.000 0.205 102 L C 2.511 179.416 176.870 0.058 0.000 1.075 102 L CA 1.212 56.197 54.840 0.241 0.000 0.747 102 L CB -0.353 41.872 42.059 0.277 0.000 0.903 102 L HN 0.306 nan 8.230 nan 0.000 0.435 103 Y N -1.124 118.930 120.300 -0.410 0.000 2.145 103 Y HA -0.307 4.243 4.550 -0.000 0.000 0.286 103 Y C 1.709 177.164 175.900 -0.741 0.000 1.145 103 Y CA 1.894 59.392 58.100 -1.002 0.000 1.148 103 Y CB -0.187 37.244 38.460 -1.715 0.000 0.981 103 Y HN 0.212 nan 8.280 nan 0.000 0.507 104 Y N -0.168 120.013 120.300 -0.198 0.000 2.466 104 Y HA 0.255 4.805 4.550 -0.000 0.000 0.272 104 Y C 1.828 177.530 175.900 -0.330 0.000 1.169 104 Y CA 0.297 58.288 58.100 -0.181 0.000 1.285 104 Y CB -0.022 38.460 38.460 0.037 0.000 1.078 104 Y HN 0.257 nan 8.280 nan 0.000 0.523 105 G N -0.706 107.850 108.800 -0.407 0.000 2.153 105 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.252 105 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.252 105 G C 1.296 175.482 174.900 -1.190 0.000 0.994 105 G CA 0.662 45.150 45.100 -1.020 0.000 0.698 105 G HN 0.354 nan 8.290 nan 0.000 0.521 106 S N -0.435 114.855 115.700 -0.683 0.000 2.469 106 S HA -0.109 4.361 4.470 -0.000 0.000 0.238 106 S C 1.916 176.199 174.600 -0.529 0.000 0.998 106 S CA 1.738 59.623 58.200 -0.526 0.000 0.957 106 S CB -0.443 62.678 63.200 -0.131 0.000 0.764 106 S HN 0.951 nan 8.310 nan 0.000 0.514 107 Y N 1.923 121.859 120.300 -0.607 0.000 2.483 107 Y HA -0.066 4.484 4.550 -0.000 0.000 0.291 107 Y C 2.363 177.921 175.900 -0.570 0.000 1.143 107 Y CA 0.949 58.471 58.100 -0.963 0.000 1.289 107 Y CB -2.060 35.317 38.460 -1.805 0.000 0.983 107 Y HN 0.272 nan 8.280 nan 0.000 0.556 108 T N -2.782 111.393 114.554 -0.631 0.000 2.977 108 T HA -0.144 4.205 4.350 -0.000 0.000 0.271 108 T C 0.331 174.943 174.700 -0.146 0.000 1.105 108 T CA 0.182 62.037 62.100 -0.409 0.000 1.116 108 T CB -0.916 67.600 68.868 -0.586 0.000 0.878 108 T HN 0.149 nan 8.240 nan 0.000 0.509 109 F N 2.031 121.913 119.950 -0.114 0.000 2.662 109 F HA 0.401 4.928 4.527 -0.000 0.000 0.343 109 F C 1.276 177.091 175.800 0.025 0.000 1.302 109 F CA -2.178 55.809 58.000 -0.022 0.000 1.142 109 F CB -1.197 37.815 39.000 0.020 0.000 1.524 109 F HN 0.038 nan 8.300 nan 0.000 0.668 110 L N 1.069 122.393 121.223 0.167 0.000 1.978 110 L HA -0.283 4.057 4.340 -0.000 0.000 0.218 110 L C 2.129 179.055 176.870 0.092 0.000 1.075 110 L CA 1.980 56.890 54.840 0.117 0.000 0.767 110 L CB -0.280 41.812 42.059 0.055 0.000 0.890 110 L HN 0.374 nan 8.230 nan 0.000 0.434 111 E N -1.351 118.795 120.200 -0.091 0.000 2.028 111 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 111 E C 2.033 178.472 176.600 -0.269 0.000 0.988 111 E CA 1.761 57.922 56.400 -0.399 0.000 0.799 111 E CB -0.418 28.616 29.700 -1.110 0.000 0.755 111 E HN 0.408 nan 8.360 nan 0.000 0.447 112 T N 0.998 115.482 114.554 -0.116 0.000 2.597 112 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 112 T C 1.303 176.121 174.700 0.197 0.000 1.053 112 T CA 1.566 63.664 62.100 -0.004 0.000 1.165 112 T CB -0.579 68.297 68.868 0.013 0.000 0.863 112 T HN 0.420 nan 8.240 nan 0.000 0.427 113 W N 2.356 123.724 121.300 0.113 0.000 2.335 113 W HA -0.145 4.515 4.660 -0.000 0.000 0.311 113 W C 2.009 178.612 176.519 0.140 0.000 1.213 113 W CA 1.321 58.770 57.345 0.173 0.000 1.274 113 W CB -0.669 28.888 29.460 0.162 0.000 1.148 113 W HN 0.353 nan 8.180 nan 0.000 0.498 114 N N 0.328 119.157 118.700 0.215 0.000 2.223 114 N HA -0.195 4.545 4.740 -0.000 0.000 0.185 114 N C 1.653 177.162 175.510 -0.001 0.000 1.016 114 N CA 1.410 54.497 53.050 0.062 0.000 0.863 114 N CB -0.203 38.337 38.487 0.088 0.000 0.983 114 N HN 0.047 nan 8.380 nan 0.000 0.429 115 I N 0.766 121.367 120.570 0.052 0.000 2.394 115 I HA -0.104 4.066 4.170 -0.000 0.000 0.251 115 I C 2.485 178.640 176.117 0.063 0.000 1.136 115 I CA 0.913 62.275 61.300 0.103 0.000 1.425 115 I CB -1.459 36.674 38.000 0.222 0.000 1.079 115 I HN 0.105 nan 8.210 nan 0.000 0.425 116 G N 0.517 109.371 108.800 0.090 0.000 2.408 116 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 116 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 116 G C 1.836 176.597 174.900 -0.231 0.000 1.150 116 G CA 0.623 45.659 45.100 -0.107 0.000 0.776 116 G HN 0.249 nan 8.290 nan 0.000 0.542 117 V N 1.093 120.832 119.914 -0.292 0.000 2.295 117 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 117 V C 2.771 178.789 176.094 -0.128 0.000 1.049 117 V CA 1.606 63.758 62.300 -0.247 0.000 1.024 117 V CB -0.383 31.303 31.823 -0.228 0.000 0.648 117 V HN 0.375 nan 8.190 nan 0.000 0.447 118 I N -0.595 119.921 120.570 -0.090 0.000 2.226 118 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 118 I C 2.304 178.372 176.117 -0.081 0.000 1.100 118 I CA 1.534 62.799 61.300 -0.059 0.000 1.374 118 I CB -0.300 37.685 38.000 -0.024 0.000 1.057 118 I HN 0.239 nan 8.210 nan 0.000 0.413 119 L N -0.414 120.738 121.223 -0.118 0.000 2.046 119 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 119 L C 2.502 179.272 176.870 -0.167 0.000 1.077 119 L CA 1.026 55.773 54.840 -0.156 0.000 0.747 119 L CB -0.444 41.467 42.059 -0.248 0.000 0.896 119 L HN 0.283 nan 8.230 nan 0.000 0.432 120 L N -0.282 120.846 121.223 -0.158 0.000 1.994 120 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 120 L C 2.348 179.173 176.870 -0.074 0.000 1.071 120 L CA 1.688 56.447 54.840 -0.135 0.000 0.745 120 L CB -0.351 41.661 42.059 -0.079 0.000 0.892 120 L HN 0.080 nan 8.230 nan 0.000 0.431 121 L N -1.007 120.185 121.223 -0.052 0.000 2.042 121 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 121 L C 2.338 179.184 176.870 -0.039 0.000 1.076 121 L CA 1.951 56.773 54.840 -0.032 0.000 0.749 121 L CB -1.228 40.808 42.059 -0.038 0.000 0.893 121 L HN 0.375 nan 8.230 nan 0.000 0.432 122 T N -1.521 112.991 114.554 -0.069 0.000 2.821 122 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 122 T C 1.923 176.562 174.700 -0.103 0.000 1.046 122 T CA 1.132 63.186 62.100 -0.076 0.000 1.139 122 T CB -0.387 68.433 68.868 -0.080 0.000 0.871 122 T HN 0.090 nan 8.240 nan 0.000 0.454 123 V N 1.100 120.903 119.914 -0.185 0.000 2.453 123 V HA -0.080 4.040 4.120 -0.000 0.000 0.247 123 V C 2.512 178.592 176.094 -0.023 0.000 1.048 123 V CA 1.358 63.455 62.300 -0.338 0.000 1.049 123 V CB -0.655 30.682 31.823 -0.810 0.000 0.672 123 V HN 0.395 nan 8.190 nan 0.000 0.457 124 M N -0.024 119.686 119.600 0.182 0.000 2.067 124 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 124 M C 2.362 178.883 176.300 0.368 0.000 1.069 124 M CA 2.249 57.838 55.300 0.482 0.000 1.117 124 M CB -0.478 32.278 32.600 0.259 0.000 1.334 124 M HN 0.370 nan 8.290 nan 0.000 0.407 125 A N -0.515 122.396 122.820 0.152 0.000 1.940 125 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 125 A C 2.095 179.793 177.584 0.191 0.000 1.176 125 A CA 2.357 54.468 52.037 0.124 0.000 0.631 125 A CB -1.235 17.764 19.000 -0.001 0.000 0.814 125 A HN 0.530 nan 8.150 nan 0.000 0.446 126 T N 0.189 114.827 114.554 0.141 0.000 2.674 126 T HA -0.001 4.349 4.350 -0.000 0.000 0.265 126 T C 2.280 177.177 174.700 0.328 0.000 1.039 126 T CA 1.692 63.892 62.100 0.167 0.000 1.150 126 T CB -0.518 68.324 68.868 -0.042 0.000 0.864 126 T HN 0.612 nan 8.240 nan 0.000 0.427 127 A N 1.104 124.093 122.820 0.281 0.000 1.902 127 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 127 A C 2.031 179.771 177.584 0.260 0.000 1.181 127 A CA 1.425 53.609 52.037 0.246 0.000 0.623 127 A CB -1.005 18.079 19.000 0.140 0.000 0.818 127 A HN 0.483 nan 8.150 nan 0.000 0.443 128 F N 0.360 120.475 119.950 0.275 0.000 2.095 128 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 128 F C 2.239 178.188 175.800 0.249 0.000 1.104 128 F CA 2.278 60.464 58.000 0.311 0.000 1.232 128 F CB -0.327 38.873 39.000 0.332 0.000 0.987 128 F HN 0.169 nan 8.300 nan 0.000 0.475 129 M N -0.086 119.526 119.600 0.021 0.000 2.229 129 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 129 M C 2.446 178.706 176.300 -0.068 0.000 1.063 129 M CA 1.470 56.704 55.300 -0.109 0.000 1.114 129 M CB -1.046 31.456 32.600 -0.164 0.000 1.387 129 M HN 0.347 nan 8.290 nan 0.000 0.420 130 G N -0.955 107.703 108.800 -0.236 0.000 2.422 130 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 130 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 130 G C 1.313 176.115 174.900 -0.164 0.000 1.146 130 G CA 0.525 45.238 45.100 -0.644 0.000 0.769 130 G HN 0.381 nan 8.290 nan 0.000 0.547 131 Y N 1.135 121.353 120.300 -0.136 0.000 2.274 131 Y HA -0.084 4.466 4.550 -0.000 0.000 0.290 131 Y C 2.856 178.740 175.900 -0.027 0.000 1.145 131 Y CA 1.005 59.059 58.100 -0.077 0.000 1.203 131 Y CB -0.032 38.374 38.460 -0.091 0.000 0.984 131 Y HN 0.054 nan 8.280 nan 0.000 0.533 132 V N 0.326 120.283 119.914 0.071 0.000 2.490 132 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 132 V C 2.354 178.572 176.094 0.208 0.000 1.061 132 V CA 1.782 64.173 62.300 0.151 0.000 1.064 132 V CB -0.856 31.116 31.823 0.247 0.000 0.670 132 V HN 0.412 nan 8.190 nan 0.000 0.461 133 L N 0.034 121.300 121.223 0.072 0.000 2.013 133 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 133 L C 0.110 177.054 176.870 0.123 0.000 1.073 133 L CA 1.835 56.687 54.840 0.020 0.000 0.753 133 L CB -2.389 39.489 42.059 -0.302 0.000 0.890 133 L HN 0.355 nan 8.230 nan 0.000 0.432 134 P HA -0.237 nan 4.420 nan 0.000 0.221 134 P C 0.399 177.877 177.300 0.297 0.000 1.145 134 P CA 1.037 64.165 63.100 0.047 0.000 0.795 134 P CB -0.109 31.500 31.700 -0.151 0.000 0.775 135 W N -0.799 120.538 121.300 0.061 0.000 5.361 135 W HA -0.168 4.492 4.660 -0.000 0.000 0.385 135 W C 0.294 176.936 176.519 0.205 0.000 1.458 135 W CA -0.058 57.357 57.345 0.117 0.000 0.922 135 W CB -1.410 28.116 29.460 0.111 0.000 2.606 135 W HN -0.063 nan 8.180 nan 0.000 1.450 136 G N 0.645 109.559 108.800 0.191 0.000 2.588 136 G HA2 0.109 4.069 3.960 -0.000 0.000 0.278 136 G HA3 0.109 4.069 3.960 -0.000 0.000 0.278 136 G C 0.607 175.489 174.900 -0.030 0.000 1.307 136 G CA 0.114 45.306 45.100 0.154 0.000 1.016 136 G HN 0.242 nan 8.290 nan 0.000 0.503 137 Q N -1.144 118.680 119.800 0.040 0.000 2.084 137 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 137 Q C 2.533 178.675 176.000 0.236 0.000 0.978 137 Q CA 1.235 57.120 55.803 0.136 0.000 0.844 137 Q CB -0.232 28.587 28.738 0.134 0.000 0.898 137 Q HN 0.499 nan 8.270 nan 0.000 0.426 138 M N 0.060 119.761 119.600 0.168 0.000 2.254 138 M HA -0.055 4.425 4.480 -0.000 0.000 0.265 138 M C 2.044 178.477 176.300 0.221 0.000 1.066 138 M CA 1.119 56.556 55.300 0.229 0.000 1.123 138 M CB -0.162 32.616 32.600 0.297 0.000 1.388 138 M HN -0.033 nan 8.290 nan 0.000 0.425 139 S N -0.222 115.493 115.700 0.026 0.000 2.359 139 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 139 S C 1.735 176.306 174.600 -0.048 0.000 1.035 139 S CA 1.651 59.831 58.200 -0.033 0.000 1.018 139 S CB -0.667 62.480 63.200 -0.088 0.000 0.876 139 S HN 0.610 nan 8.310 nan 0.000 0.448 140 F N 0.533 120.250 119.950 -0.388 0.000 2.098 140 F HA 0.012 4.539 4.527 -0.000 0.000 0.294 140 F C 1.790 177.314 175.800 -0.460 0.000 1.107 140 F CA 1.047 58.642 58.000 -0.676 0.000 1.234 140 F CB -0.440 37.855 39.000 -1.175 0.000 1.002 140 F HN 0.189 nan 8.300 nan 0.000 0.472 141 W N 0.603 121.838 121.300 -0.108 0.000 2.467 141 W HA 0.072 4.732 4.660 -0.000 0.000 0.275 141 W C 2.599 179.078 176.519 -0.067 0.000 1.239 141 W CA 1.066 58.345 57.345 -0.109 0.000 1.266 141 W CB -0.968 28.514 29.460 0.036 0.000 1.112 141 W HN 0.147 nan 8.180 nan 0.000 0.576 142 G N 0.277 109.183 108.800 0.176 0.000 2.402 142 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 142 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 142 G C 1.660 176.688 174.900 0.213 0.000 1.162 142 G CA 1.290 46.504 45.100 0.189 0.000 0.777 142 G HN 0.278 nan 8.290 nan 0.000 0.539 143 A N 0.889 123.736 122.820 0.045 0.000 1.873 143 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 143 A C 2.638 180.281 177.584 0.097 0.000 1.186 143 A CA 2.719 54.805 52.037 0.082 0.000 0.616 143 A CB -1.125 17.799 19.000 -0.127 0.000 0.823 143 A HN 0.419 nan 8.150 nan 0.000 0.442 144 T N -1.873 112.538 114.554 -0.238 0.000 2.788 144 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 144 T C 1.658 176.440 174.700 0.138 0.000 1.044 144 T CA 1.306 63.310 62.100 -0.160 0.000 1.139 144 T CB -0.686 67.828 68.868 -0.590 0.000 0.867 144 T HN 0.098 nan 8.240 nan 0.000 0.454 145 V N 0.550 120.576 119.914 0.187 0.000 2.809 145 V HA 0.017 4.137 4.120 -0.000 0.000 0.256 145 V C 1.964 178.196 176.094 0.230 0.000 1.080 145 V CA 0.932 63.378 62.300 0.243 0.000 1.102 145 V CB -0.491 31.506 31.823 0.289 0.000 0.705 145 V HN 0.434 nan 8.190 nan 0.000 0.475 146 I N -0.097 120.629 120.570 0.260 0.000 2.947 146 I HA -0.032 4.138 4.170 -0.000 0.000 0.263 146 I C 2.683 178.880 176.117 0.134 0.000 1.130 146 I CA 1.725 63.137 61.300 0.186 0.000 1.448 146 I CB -1.590 36.535 38.000 0.208 0.000 1.222 146 I HN 0.429 nan 8.210 nan 0.000 0.453 147 T N -0.508 114.206 114.554 0.266 0.000 2.720 147 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 147 T C 1.659 176.390 174.700 0.051 0.000 1.037 147 T CA 1.337 63.553 62.100 0.193 0.000 1.144 147 T CB -0.614 68.490 68.868 0.393 0.000 0.864 147 T HN 0.151 nan 8.240 nan 0.000 0.444 148 N N 1.230 120.043 118.700 0.189 0.000 2.513 148 N HA 0.026 4.766 4.740 -0.000 0.000 0.187 148 N C 1.700 177.239 175.510 0.048 0.000 1.056 148 N CA 0.620 53.763 53.050 0.154 0.000 0.907 148 N CB -0.366 38.284 38.487 0.271 0.000 0.954 148 N HN 0.491 nan 8.380 nan 0.000 0.445 149 L N 0.275 121.512 121.223 0.023 0.000 2.141 149 L HA -0.086 4.253 4.340 -0.000 0.000 0.209 149 L C 1.969 178.812 176.870 -0.045 0.000 1.094 149 L CA 0.592 55.424 54.840 -0.012 0.000 0.763 149 L CB -0.276 41.766 42.059 -0.029 0.000 0.908 149 L HN 0.112 nan 8.230 nan 0.000 0.437 150 L N -1.055 120.122 121.223 -0.077 0.000 2.450 150 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 150 L C 2.508 179.321 176.870 -0.095 0.000 1.149 150 L CA 0.413 55.196 54.840 -0.096 0.000 0.816 150 L CB -0.499 41.485 42.059 -0.125 0.000 0.932 150 L HN 0.156 nan 8.230 nan 0.000 0.449 151 S N 0.152 115.799 115.700 -0.088 0.000 2.419 151 S HA -0.135 4.334 4.470 -0.000 0.000 0.233 151 S C 2.152 176.738 174.600 -0.024 0.000 1.016 151 S CA 1.147 59.315 58.200 -0.052 0.000 0.974 151 S CB -0.162 63.033 63.200 -0.009 0.000 0.786 151 S HN 0.541 nan 8.310 nan 0.000 0.492 152 A N 0.585 123.392 122.820 -0.022 0.000 2.168 152 A HA 0.207 4.527 4.320 -0.000 0.000 0.215 152 A C 0.766 178.340 177.584 -0.017 0.000 1.152 152 A CA 0.186 52.214 52.037 -0.015 0.000 0.716 152 A CB -0.457 18.532 19.000 -0.018 0.000 0.794 152 A HN 0.427 nan 8.150 nan 0.000 0.465 153 I N 1.739 122.294 120.570 -0.024 0.000 2.598 153 I HA 0.096 4.266 4.170 -0.000 0.000 0.284 153 I C -2.161 173.959 176.117 0.005 0.000 1.140 153 I CA -1.596 59.693 61.300 -0.018 0.000 1.420 153 I CB 0.771 38.754 38.000 -0.029 0.000 1.387 153 I HN 0.058 nan 8.210 nan 0.000 0.553 154 P HA -0.025 nan 4.420 nan 0.000 0.267 154 P C -0.006 177.377 177.300 0.138 0.000 1.205 154 P CA 0.316 63.453 63.100 0.061 0.000 0.765 154 P CB 0.306 32.031 31.700 0.041 0.000 0.828 155 Y N 2.550 122.837 120.300 -0.022 0.000 2.742 155 Y HA -0.412 4.138 4.550 -0.000 0.000 0.485 155 Y C 1.550 177.434 175.900 -0.027 0.000 1.119 155 Y CA 2.360 60.447 58.100 -0.022 0.000 2.917 155 Y CB -2.268 36.178 38.460 -0.024 0.000 0.951 155 Y HN 0.300 nan 8.280 nan 0.000 0.562 156 I N 0.597 121.150 120.570 -0.028 0.000 2.252 156 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 156 I C 2.643 178.696 176.117 -0.107 0.000 1.102 156 I CA 1.255 62.486 61.300 -0.114 0.000 1.385 156 I CB -1.127 36.844 38.000 -0.048 0.000 1.064 156 I HN 0.589 nan 8.210 nan 0.000 0.414 157 G N 1.797 110.560 108.800 -0.061 0.000 3.289 157 G HA2 -0.469 3.491 3.960 -0.000 0.000 0.242 157 G HA3 -0.469 3.491 3.960 -0.000 0.000 0.242 157 G C 1.660 176.513 174.900 -0.079 0.000 1.044 157 G CA 2.956 48.020 45.100 -0.059 0.000 0.747 157 G HN 0.450 nan 8.290 nan 0.000 1.087 158 T N -0.814 113.705 114.554 -0.059 0.000 2.737 158 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 158 T C 2.051 176.721 174.700 -0.048 0.000 1.040 158 T CA 1.816 63.891 62.100 -0.042 0.000 1.142 158 T CB -0.471 68.408 68.868 0.019 0.000 0.861 158 T HN 0.396 nan 8.240 nan 0.000 0.456 159 N N 1.271 119.934 118.700 -0.062 0.000 2.149 159 N HA 0.010 4.750 4.740 -0.000 0.000 0.188 159 N C 1.935 177.434 175.510 -0.019 0.000 1.019 159 N CA 1.083 54.101 53.050 -0.053 0.000 0.857 159 N CB -0.373 38.043 38.487 -0.119 0.000 0.997 159 N HN 0.401 nan 8.380 nan 0.000 0.426 160 L N 0.936 122.133 121.223 -0.045 0.000 2.005 160 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 160 L C 2.291 179.157 176.870 -0.008 0.000 1.072 160 L CA 0.882 55.737 54.840 0.025 0.000 0.744 160 L CB -0.330 41.717 42.059 -0.019 0.000 0.895 160 L HN -0.033 nan 8.230 nan 0.000 0.433 161 V N -1.023 118.754 119.914 -0.229 0.000 2.287 161 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 161 V C 2.097 177.816 176.094 -0.626 0.000 1.053 161 V CA 1.963 63.876 62.300 -0.645 0.000 1.027 161 V CB -0.817 30.405 31.823 -1.001 0.000 0.646 161 V HN 0.461 nan 8.190 nan 0.000 0.447 162 E N -1.178 118.900 120.200 -0.202 0.000 2.338 162 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 162 E C 1.829 178.514 176.600 0.141 0.000 1.007 162 E CA 1.198 57.658 56.400 0.100 0.000 0.849 162 E CB -0.149 29.607 29.700 0.093 0.000 0.774 162 E HN 0.812 nan 8.360 nan 0.000 0.506 163 W N 0.431 121.696 121.300 -0.058 0.000 2.494 163 W HA 0.050 4.710 4.660 -0.000 0.000 0.286 163 W C 1.535 178.084 176.519 0.050 0.000 1.218 163 W CA 0.607 57.946 57.345 -0.010 0.000 1.313 163 W CB -0.046 29.397 29.460 -0.028 0.000 1.105 163 W HN -0.087 nan 8.180 nan 0.000 0.561 164 I N -0.595 119.968 120.570 -0.012 0.000 2.439 164 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 164 I C 1.942 178.137 176.117 0.129 0.000 1.139 164 I CA 0.917 62.181 61.300 -0.059 0.000 1.438 164 I CB -0.532 37.468 38.000 0.001 0.000 1.085 164 I HN 0.010 nan 8.210 nan 0.000 0.427 165 W N 0.617 121.919 121.300 0.003 0.000 2.476 165 W HA 0.184 4.844 4.660 -0.000 0.000 0.281 165 W C 1.998 178.474 176.519 -0.072 0.000 1.230 165 W CA 1.127 58.453 57.345 -0.031 0.000 1.287 165 W CB -1.052 28.394 29.460 -0.023 0.000 1.108 165 W HN 0.299 nan 8.180 nan 0.000 0.567 166 G N 0.190 109.073 108.800 0.138 0.000 2.160 166 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.251 166 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.251 166 G C 0.531 175.411 174.900 -0.034 0.000 1.008 166 G CA 0.580 45.693 45.100 0.023 0.000 0.724 166 G HN 0.739 nan 8.290 nan 0.000 0.514 167 G N -1.838 106.918 108.800 -0.074 0.000 2.593 167 G HA2 0.515 4.475 3.960 -0.000 0.000 0.103 167 G HA3 0.515 4.475 3.960 -0.000 0.000 0.103 167 G C -0.081 174.564 174.900 -0.425 0.000 1.103 167 G CA 0.324 45.231 45.100 -0.322 0.000 1.109 167 G HN 0.512 nan 8.290 nan 0.000 0.516 168 F N 1.816 121.816 119.950 0.083 0.000 2.746 168 F HA 0.575 5.102 4.527 -0.000 0.000 0.320 168 F C 1.040 176.586 175.800 -0.424 0.000 1.097 168 F CA 0.293 58.333 58.000 0.067 0.000 1.195 168 F CB 1.266 40.298 39.000 0.054 0.000 1.056 168 F HN 0.620 nan 8.300 nan 0.000 0.562 169 S N -1.497 113.822 115.700 -0.636 0.000 2.643 169 S HA 0.527 4.997 4.470 -0.000 0.000 0.270 169 S C -1.015 172.939 174.600 -1.078 0.000 1.166 169 S CA -0.915 56.575 58.200 -1.183 0.000 0.815 169 S CB 1.197 64.121 63.200 -0.459 0.000 1.139 169 S HN -0.248 nan 8.310 nan 0.000 0.472 170 V N 2.584 121.974 119.914 -0.873 0.000 2.390 170 V HA 0.284 4.404 4.120 -0.000 0.000 0.260 170 V C 0.191 176.347 176.094 0.103 0.000 1.043 170 V CA 0.623 62.711 62.300 -0.353 0.000 1.047 170 V CB -0.524 31.056 31.823 -0.404 0.000 1.066 170 V HN 0.820 nan 8.190 nan 0.000 0.481 171 D N 2.936 123.365 120.400 0.048 0.000 2.720 171 D HA 0.320 4.960 4.640 -0.000 0.000 0.232 171 D C 1.214 177.488 176.300 -0.042 0.000 1.173 171 D CA -0.675 53.381 54.000 0.094 0.000 1.082 171 D CB 1.347 42.146 40.800 -0.002 0.000 1.235 171 D HN 0.204 nan 8.370 nan 0.000 0.636 172 K N 0.062 120.404 120.400 -0.096 0.000 2.009 172 K HA -0.118 4.202 4.320 -0.000 0.000 0.210 172 K C 1.843 178.325 176.600 -0.197 0.000 1.049 172 K CA 1.547 57.718 56.287 -0.194 0.000 0.929 172 K CB -0.213 32.214 32.500 -0.121 0.000 0.714 172 K HN 0.292 nan 8.250 nan 0.000 0.440 173 A N 0.962 123.713 122.820 -0.115 0.000 1.930 173 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 173 A C 2.212 179.747 177.584 -0.082 0.000 1.175 173 A CA 1.994 53.981 52.037 -0.082 0.000 0.627 173 A CB -0.889 18.084 19.000 -0.044 0.000 0.815 173 A HN 0.304 nan 8.150 nan 0.000 0.443 174 T N 0.395 114.881 114.554 -0.114 0.000 2.788 174 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 174 T C 1.826 176.356 174.700 -0.284 0.000 1.044 174 T CA 1.183 63.163 62.100 -0.199 0.000 1.139 174 T CB -0.309 68.420 68.868 -0.232 0.000 0.867 174 T HN 0.308 nan 8.240 nan 0.000 0.454 175 L N 1.112 122.147 121.223 -0.313 0.000 2.046 175 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 175 L C 2.390 179.239 176.870 -0.035 0.000 1.077 175 L CA 1.782 56.443 54.840 -0.297 0.000 0.747 175 L CB -1.147 40.450 42.059 -0.771 0.000 0.896 175 L HN 0.334 nan 8.230 nan 0.000 0.432 176 T N 0.219 114.741 114.554 -0.054 0.000 2.701 176 T HA -0.192 4.158 4.350 -0.000 0.000 0.263 176 T C 1.818 176.595 174.700 0.129 0.000 1.040 176 T CA 1.633 63.766 62.100 0.055 0.000 1.147 176 T CB -0.275 68.580 68.868 -0.022 0.000 0.865 176 T HN 0.501 nan 8.240 nan 0.000 0.426 177 R N 0.297 120.846 120.500 0.082 0.000 2.115 177 R HA 0.003 4.343 4.340 -0.000 0.000 0.230 177 R C 1.909 178.340 176.300 0.219 0.000 1.111 177 R CA 1.246 57.355 56.100 0.015 0.000 0.976 177 R CB -0.807 29.512 30.300 0.031 0.000 0.870 177 R HN 0.227 nan 8.270 nan 0.000 0.445 178 F N 0.692 120.737 119.950 0.159 0.000 2.234 178 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 178 F C 1.998 177.969 175.800 0.286 0.000 1.087 178 F CA 0.265 58.424 58.000 0.264 0.000 1.340 178 F CB -0.618 38.500 39.000 0.196 0.000 1.031 178 F HN -0.018 nan 8.300 nan 0.000 0.500 179 F N 0.610 120.727 119.950 0.279 0.000 2.113 179 F HA -0.028 4.499 4.527 -0.000 0.000 0.297 179 F C 2.301 178.249 175.800 0.247 0.000 1.103 179 F CA 1.109 59.255 58.000 0.244 0.000 1.248 179 F CB -0.932 38.218 39.000 0.251 0.000 0.999 179 F HN -0.094 nan 8.300 nan 0.000 0.475 180 A N 0.288 123.064 122.820 -0.073 0.000 1.865 180 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 180 A C 2.108 179.599 177.584 -0.156 0.000 1.191 180 A CA 1.976 53.842 52.037 -0.285 0.000 0.623 180 A CB -1.573 17.175 19.000 -0.421 0.000 0.826 180 A HN 0.386 nan 8.150 nan 0.000 0.444 181 F N -0.846 119.138 119.950 0.056 0.000 2.234 181 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 181 F C 2.213 178.042 175.800 0.048 0.000 1.087 181 F CA 1.424 59.443 58.000 0.032 0.000 1.340 181 F CB -1.091 37.902 39.000 -0.011 0.000 1.031 181 F HN 0.485 nan 8.300 nan 0.000 0.500 182 H N -1.465 117.698 119.070 0.156 0.000 2.462 182 H HA -0.125 4.430 4.556 -0.000 0.000 0.292 182 H C 2.008 177.345 175.328 0.015 0.000 1.049 182 H CA 1.301 57.396 56.048 0.079 0.000 1.334 182 H CB -0.256 29.580 29.762 0.123 0.000 1.404 182 H HN 0.127 nan 8.280 nan 0.000 0.544 183 F N -0.281 119.565 119.950 -0.173 0.000 2.149 183 F HA -0.008 4.519 4.527 -0.000 0.000 0.294 183 F C 2.338 178.076 175.800 -0.104 0.000 1.095 183 F CA 0.956 58.818 58.000 -0.229 0.000 1.276 183 F CB -0.465 38.308 39.000 -0.377 0.000 1.023 183 F HN 0.230 nan 8.300 nan 0.000 0.480 184 I N -0.730 119.995 120.570 0.259 0.000 2.286 184 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 184 I C 2.285 178.493 176.117 0.151 0.000 1.104 184 I CA 0.910 62.384 61.300 0.291 0.000 1.397 184 I CB -0.233 37.897 38.000 0.216 0.000 1.072 184 I HN 0.091 nan 8.210 nan 0.000 0.417 185 L N 1.128 122.375 121.223 0.039 0.000 2.013 185 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 185 L C -0.414 176.379 176.870 -0.128 0.000 1.073 185 L CA 1.950 56.772 54.840 -0.031 0.000 0.753 185 L CB -1.902 40.135 42.059 -0.037 0.000 0.890 185 L HN 0.233 nan 8.230 nan 0.000 0.432 186 P HA -0.166 nan 4.420 nan 0.000 0.218 186 P C 1.263 178.386 177.300 -0.296 0.000 1.148 186 P CA 1.414 64.292 63.100 -0.369 0.000 0.822 186 P CB -0.013 31.335 31.700 -0.586 0.000 0.784 187 F N -1.034 118.936 119.950 0.033 0.000 2.128 187 F HA -0.042 4.485 4.527 -0.000 0.000 0.295 187 F C 2.254 178.074 175.800 0.033 0.000 1.100 187 F CA 0.791 58.816 58.000 0.043 0.000 1.260 187 F CB -1.646 37.389 39.000 0.058 0.000 1.009 187 F HN -0.185 nan 8.300 nan 0.000 0.476 188 I N -0.166 120.512 120.570 0.181 0.000 2.335 188 I HA -0.288 3.882 4.170 -0.000 0.000 0.251 188 I C 2.296 178.447 176.117 0.055 0.000 1.129 188 I CA 1.217 62.579 61.300 0.104 0.000 1.402 188 I CB -0.527 37.520 38.000 0.079 0.000 1.069 188 I HN 0.094 nan 8.210 nan 0.000 0.424 189 I N -0.017 120.563 120.570 0.017 0.000 2.142 189 I HA -0.352 3.818 4.170 -0.000 0.000 0.240 189 I C 2.673 178.807 176.117 0.029 0.000 1.078 189 I CA 1.705 63.002 61.300 -0.006 0.000 1.343 189 I CB -0.237 37.736 38.000 -0.046 0.000 1.046 189 I HN 0.232 nan 8.210 nan 0.000 0.405 190 M N 0.197 119.833 119.600 0.059 0.000 2.108 190 M HA -0.250 4.230 4.480 -0.000 0.000 0.261 190 M C 2.351 178.701 176.300 0.084 0.000 1.066 190 M CA 2.185 57.535 55.300 0.084 0.000 1.107 190 M CB -0.156 32.522 32.600 0.129 0.000 1.356 190 M HN 0.335 nan 8.290 nan 0.000 0.406 191 A N 0.109 122.984 122.820 0.091 0.000 1.933 191 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 191 A C 1.918 179.543 177.584 0.068 0.000 1.175 191 A CA 1.512 53.596 52.037 0.077 0.000 0.628 191 A CB -0.871 18.177 19.000 0.079 0.000 0.814 191 A HN 0.582 nan 8.150 nan 0.000 0.444 192 I N -0.438 120.169 120.570 0.062 0.000 2.353 192 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 192 I C 2.875 179.039 176.117 0.077 0.000 1.119 192 I CA 0.837 62.176 61.300 0.065 0.000 1.417 192 I CB -0.217 37.805 38.000 0.036 0.000 1.078 192 I HN 0.329 nan 8.210 nan 0.000 0.421 193 A N 0.335 123.182 122.820 0.045 0.000 1.972 193 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 193 A C 2.309 179.958 177.584 0.108 0.000 1.169 193 A CA 1.609 53.678 52.037 0.052 0.000 0.635 193 A CB -0.526 18.488 19.000 0.023 0.000 0.810 193 A HN 0.334 nan 8.150 nan 0.000 0.446 194 M N -0.997 118.650 119.600 0.078 0.000 2.132 194 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 194 M C 1.991 178.304 176.300 0.021 0.000 1.065 194 M CA 1.315 56.642 55.300 0.045 0.000 1.122 194 M CB -0.162 32.463 32.600 0.041 0.000 1.365 194 M HN 0.233 nan 8.290 nan 0.000 0.411 195 V N -1.023 118.930 119.914 0.066 0.000 2.548 195 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 195 V C 2.136 178.350 176.094 0.200 0.000 1.055 195 V CA 2.012 64.358 62.300 0.077 0.000 1.065 195 V CB -0.987 30.917 31.823 0.135 0.000 0.681 195 V HN 0.489 nan 8.190 nan 0.000 0.462 196 H N 0.249 119.386 119.070 0.112 0.000 2.290 196 H HA -0.160 4.396 4.556 -0.000 0.000 0.298 196 H C 2.084 177.440 175.328 0.048 0.000 1.087 196 H CA 2.115 58.239 56.048 0.127 0.000 1.291 196 H CB -0.186 29.624 29.762 0.080 0.000 1.369 196 H HN 0.304 nan 8.280 nan 0.000 0.492 197 L N -0.581 120.634 121.223 -0.015 0.000 2.141 197 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 197 L C 2.355 178.897 176.870 -0.546 0.000 1.094 197 L CA 0.640 55.286 54.840 -0.324 0.000 0.763 197 L CB -0.321 41.540 42.059 -0.330 0.000 0.908 197 L HN 0.328 nan 8.230 nan 0.000 0.437 198 L N -0.346 120.680 121.223 -0.330 0.000 1.989 198 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 198 L C 2.271 178.952 176.870 -0.314 0.000 1.071 198 L CA 2.054 56.690 54.840 -0.339 0.000 0.749 198 L CB -0.839 41.018 42.059 -0.337 0.000 0.890 198 L HN 0.029 nan 8.230 nan 0.000 0.431 199 F N -0.861 118.989 119.950 -0.166 0.000 2.216 199 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 199 F C 2.292 177.947 175.800 -0.241 0.000 1.085 199 F CA 1.581 59.486 58.000 -0.158 0.000 1.326 199 F CB -0.792 38.144 39.000 -0.107 0.000 1.027 199 F HN 0.204 nan 8.300 nan 0.000 0.497 200 L N -0.427 120.717 121.223 -0.131 0.000 2.056 200 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 200 L C 2.262 179.062 176.870 -0.118 0.000 1.078 200 L CA 1.985 56.697 54.840 -0.213 0.000 0.749 200 L CB -0.856 41.100 42.059 -0.171 0.000 0.901 200 L HN 0.207 nan 8.230 nan 0.000 0.433 201 H N -1.503 117.475 119.070 -0.153 0.000 2.518 201 H HA -0.147 4.409 4.556 -0.000 0.000 0.289 201 H C 1.860 177.112 175.328 -0.128 0.000 1.051 201 H CA 0.651 56.615 56.048 -0.138 0.000 1.280 201 H CB 0.308 29.983 29.762 -0.143 0.000 1.380 201 H HN 0.426 nan 8.280 nan 0.000 0.566 202 E N 0.449 120.635 120.200 -0.024 0.000 2.110 202 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 202 E C 2.186 178.745 176.600 -0.069 0.000 0.988 202 E CA 1.954 58.328 56.400 -0.044 0.000 0.804 202 E CB 0.173 29.858 29.700 -0.025 0.000 0.745 202 E HN 0.558 nan 8.360 nan 0.000 0.458 203 T N -4.209 110.243 114.554 -0.169 0.000 2.969 203 T HA 0.454 4.804 4.350 -0.000 0.000 0.250 203 T C 1.010 175.648 174.700 -0.104 0.000 1.021 203 T CA 0.174 62.167 62.100 -0.177 0.000 1.003 203 T CB 0.381 68.969 68.868 -0.465 0.000 1.040 203 T HN 0.335 nan 8.240 nan 0.000 0.492 204 G N 1.154 109.887 108.800 -0.111 0.000 2.782 204 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.228 204 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.228 204 G C -0.330 174.596 174.900 0.043 0.000 1.372 204 G CA -0.394 44.703 45.100 -0.005 0.000 0.862 204 G HN 0.559 nan 8.290 nan 0.000 0.547 205 S N -0.163 115.629 115.700 0.154 0.000 2.580 205 S HA 0.472 4.942 4.470 -0.000 0.000 0.274 205 S C 0.820 175.632 174.600 0.353 0.000 1.329 205 S CA 0.154 58.534 58.200 0.300 0.000 1.036 205 S CB 0.985 64.324 63.200 0.231 0.000 0.919 205 S HN 0.962 nan 8.310 nan 0.000 0.515 206 N N 1.753 120.769 118.700 0.526 0.000 2.364 206 N HA 0.318 5.058 4.740 -0.000 0.000 0.264 206 N C -0.504 175.078 175.510 0.120 0.000 1.263 206 N CA -0.328 52.899 53.050 0.295 0.000 0.959 206 N CB 0.430 38.996 38.487 0.131 0.000 1.204 206 N HN 0.813 nan 8.380 nan 0.000 0.550 207 N N -2.142 116.529 118.700 -0.048 0.000 2.525 207 N HA 0.486 5.226 4.740 -0.000 0.000 0.270 207 N C -2.638 172.696 175.510 -0.294 0.000 1.321 207 N CA -1.316 51.447 53.050 -0.477 0.000 0.797 207 N CB 1.788 40.050 38.487 -0.376 0.000 1.529 207 N HN 0.170 nan 8.380 nan 0.000 0.491 208 P HA -0.186 nan 4.420 nan 0.000 0.219 208 P C 0.845 178.186 177.300 0.069 0.000 1.144 208 P CA 1.791 64.780 63.100 -0.185 0.000 0.806 208 P CB -0.036 31.584 31.700 -0.134 0.000 0.771 209 T N -6.120 108.426 114.554 -0.013 0.000 3.054 209 T HA 0.229 4.579 4.350 -0.000 0.000 0.259 209 T C 1.762 176.505 174.700 0.072 0.000 1.092 209 T CA 0.792 62.897 62.100 0.007 0.000 1.121 209 T CB -0.899 68.078 68.868 0.182 0.000 0.912 209 T HN 0.203 nan 8.240 nan 0.000 0.489 210 G N 1.580 110.411 108.800 0.052 0.000 2.184 210 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 210 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 210 G C 0.077 175.001 174.900 0.039 0.000 0.975 210 G CA 0.385 45.499 45.100 0.023 0.000 0.642 210 G HN 0.709 nan 8.290 nan 0.000 0.536 211 I N 1.318 121.942 120.570 0.090 0.000 2.612 211 I HA 0.397 4.566 4.170 -0.000 0.000 0.295 211 I C 1.131 177.273 176.117 0.041 0.000 1.011 211 I CA -0.630 60.717 61.300 0.078 0.000 1.326 211 I CB 1.394 39.461 38.000 0.113 0.000 1.427 211 I HN 0.027 nan 8.210 nan 0.000 0.537 212 S N 2.300 118.021 115.700 0.036 0.000 2.558 212 S HA 0.004 4.474 4.470 -0.000 0.000 0.288 212 S C 0.970 175.584 174.600 0.024 0.000 1.318 212 S CA -0.312 57.909 58.200 0.034 0.000 1.056 212 S CB 0.473 63.694 63.200 0.036 0.000 0.853 212 S HN 0.802 nan 8.310 nan 0.000 0.505 213 S N 1.319 117.030 115.700 0.019 0.000 2.554 213 S HA 0.122 4.591 4.470 -0.000 0.000 0.226 213 S C 0.683 175.290 174.600 0.011 0.000 0.980 213 S CA -0.419 57.782 58.200 0.003 0.000 0.939 213 S CB 0.078 63.265 63.200 -0.022 0.000 0.832 213 S HN 0.581 nan 8.310 nan 0.000 0.486 214 D N 2.767 123.180 120.400 0.021 0.000 2.190 214 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 214 D C 2.131 178.440 176.300 0.016 0.000 0.992 214 D CA 1.543 55.556 54.000 0.022 0.000 0.854 214 D CB -0.332 40.483 40.800 0.025 0.000 0.936 214 D HN 0.531 nan 8.370 nan 0.000 0.462 215 V N -1.808 118.114 119.914 0.012 0.000 3.217 215 V HA -0.011 4.109 4.120 -0.000 0.000 0.264 215 V C 0.624 176.719 176.094 0.002 0.000 1.135 215 V CA 1.203 63.508 62.300 0.008 0.000 1.142 215 V CB -0.024 31.803 31.823 0.008 0.000 0.754 215 V HN -0.114 nan 8.190 nan 0.000 0.484 216 D N 0.092 120.491 120.400 -0.002 0.000 3.078 216 D HA 0.208 4.848 4.640 -0.000 0.000 0.363 216 D C -0.164 176.128 176.300 -0.013 0.000 1.391 216 D CA -0.310 53.681 54.000 -0.014 0.000 0.754 216 D CB 0.194 40.979 40.800 -0.024 0.000 1.238 216 D HN 0.217 nan 8.370 nan 0.000 0.500 217 K N 0.831 121.234 120.400 0.006 0.000 2.205 217 K HA 0.455 4.775 4.320 -0.000 0.000 0.279 217 K C 0.527 177.148 176.600 0.035 0.000 1.027 217 K CA -0.485 55.818 56.287 0.027 0.000 0.932 217 K CB 1.579 34.104 32.500 0.040 0.000 1.032 217 K HN 0.419 nan 8.250 nan 0.000 0.466 218 I N -0.209 120.397 120.570 0.060 0.000 2.646 218 I HA 0.503 4.673 4.170 -0.000 0.000 0.299 218 I C -2.490 173.740 176.117 0.187 0.000 1.036 218 I CA -2.882 58.472 61.300 0.091 0.000 1.074 218 I CB 2.131 40.103 38.000 -0.048 0.000 1.258 218 I HN 0.272 nan 8.210 nan 0.000 0.430 219 P HA 0.023 nan 4.420 nan 0.000 0.271 219 P C 0.322 177.799 177.300 0.296 0.000 1.216 219 P CA 0.037 63.274 63.100 0.228 0.000 0.776 219 P CB 0.763 32.565 31.700 0.169 0.000 0.881 220 F N 2.130 122.206 119.950 0.210 0.000 2.120 220 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 220 F C 1.427 177.355 175.800 0.214 0.000 1.095 220 F CA 1.639 59.809 58.000 0.283 0.000 1.249 220 F CB -0.457 38.682 39.000 0.233 0.000 0.995 220 F HN 0.415 nan 8.300 nan 0.000 0.480 221 H N 0.600 119.847 119.070 0.296 0.000 2.489 221 H HA 0.263 4.819 4.556 -0.000 0.000 0.322 221 H C -1.973 173.288 175.328 -0.111 0.000 1.091 221 H CA -2.374 53.734 56.048 0.099 0.000 1.291 221 H CB 1.358 31.194 29.762 0.124 0.000 1.436 221 H HN -0.159 nan 8.280 nan 0.000 0.480 222 P HA 0.019 nan 4.420 nan 0.000 0.267 222 P C 0.456 177.398 177.300 -0.597 0.000 1.289 222 P CA 0.300 62.800 63.100 -1.000 0.000 0.866 222 P CB 0.292 31.389 31.700 -1.004 0.000 1.309 223 Y N -0.455 119.604 120.300 -0.401 0.000 2.097 223 Y HA -0.187 4.363 4.550 -0.000 0.000 0.282 223 Y C 1.884 177.347 175.900 -0.728 0.000 1.152 223 Y CA 1.593 59.343 58.100 -0.583 0.000 1.136 223 Y CB -1.615 36.398 38.460 -0.745 0.000 0.975 223 Y HN -0.050 nan 8.280 nan 0.000 0.498 224 Y N -1.158 118.969 120.300 -0.289 0.000 2.511 224 Y HA 0.013 4.563 4.550 -0.000 0.000 0.279 224 Y C 2.253 177.941 175.900 -0.353 0.000 1.157 224 Y CA 0.382 58.121 58.100 -0.601 0.000 1.300 224 Y CB -0.861 36.765 38.460 -1.390 0.000 1.052 224 Y HN 0.057 nan 8.280 nan 0.000 0.529 225 T N 0.240 114.796 114.554 0.004 0.000 2.698 225 T HA -0.152 4.198 4.350 -0.000 0.000 0.260 225 T C 1.983 176.736 174.700 0.089 0.000 1.044 225 T CA 1.434 63.664 62.100 0.217 0.000 1.149 225 T CB -0.420 68.633 68.868 0.308 0.000 0.864 225 T HN 0.223 nan 8.240 nan 0.000 0.419 226 I N 0.735 121.291 120.570 -0.023 0.000 2.394 226 I HA -0.034 4.136 4.170 -0.000 0.000 0.251 226 I C 2.315 178.424 176.117 -0.014 0.000 1.136 226 I CA 1.356 62.637 61.300 -0.032 0.000 1.425 226 I CB -0.086 37.863 38.000 -0.086 0.000 1.079 226 I HN 0.057 nan 8.210 nan 0.000 0.425 227 K N 0.042 120.433 120.400 -0.014 0.000 2.155 227 K HA -0.156 4.164 4.320 -0.000 0.000 0.203 227 K C 1.350 177.979 176.600 0.048 0.000 1.052 227 K CA 1.405 57.705 56.287 0.022 0.000 0.948 227 K CB 0.049 32.591 32.500 0.070 0.000 0.728 227 K HN 0.291 nan 8.250 nan 0.000 0.448 228 D N 0.352 120.804 120.400 0.086 0.000 2.249 228 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 228 D C 1.674 178.010 176.300 0.061 0.000 0.962 228 D CA 0.627 54.688 54.000 0.103 0.000 0.860 228 D CB 0.111 41.039 40.800 0.214 0.000 0.955 228 D HN 0.175 nan 8.370 nan 0.000 0.505 229 I N 0.350 120.952 120.570 0.052 0.000 2.202 229 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 229 I C 2.236 178.356 176.117 0.005 0.000 1.091 229 I CA 0.590 61.906 61.300 0.027 0.000 1.368 229 I CB -0.055 37.960 38.000 0.025 0.000 1.058 229 I HN -0.010 nan 8.210 nan 0.000 0.410 230 L N 0.777 121.999 121.223 -0.002 0.000 2.042 230 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 230 L C 2.302 179.155 176.870 -0.028 0.000 1.076 230 L CA 2.258 57.090 54.840 -0.015 0.000 0.749 230 L CB -1.146 40.903 42.059 -0.018 0.000 0.893 230 L HN 0.230 nan 8.230 nan 0.000 0.432 231 G N -1.237 107.540 108.800 -0.038 0.000 2.422 231 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 231 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 231 G C 1.576 176.437 174.900 -0.065 0.000 1.146 231 G CA 0.692 45.744 45.100 -0.079 0.000 0.769 231 G HN 0.627 nan 8.290 nan 0.000 0.547 232 A N 0.175 122.975 122.820 -0.033 0.000 1.969 232 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 232 A C 2.305 179.879 177.584 -0.016 0.000 1.169 232 A CA 1.292 53.316 52.037 -0.023 0.000 0.635 232 A CB -0.330 18.664 19.000 -0.009 0.000 0.810 232 A HN 0.353 nan 8.150 nan 0.000 0.445 233 L N -0.653 120.562 121.223 -0.013 0.000 2.201 233 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 233 L C 2.201 179.070 176.870 -0.002 0.000 1.105 233 L CA 1.245 56.081 54.840 -0.007 0.000 0.775 233 L CB -0.220 41.835 42.059 -0.006 0.000 0.913 233 L HN 0.389 nan 8.230 nan 0.000 0.440 234 L N -1.810 119.405 121.223 -0.012 0.000 2.179 234 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 234 L C 2.262 179.139 176.870 0.011 0.000 1.096 234 L CA 0.706 55.542 54.840 -0.006 0.000 0.779 234 L CB -0.312 41.730 42.059 -0.029 0.000 0.922 234 L HN 0.274 nan 8.230 nan 0.000 0.443 235 L N -0.414 120.811 121.223 0.004 0.000 2.109 235 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 235 L C 2.262 179.153 176.870 0.035 0.000 1.086 235 L CA 1.428 56.285 54.840 0.029 0.000 0.760 235 L CB -0.055 42.012 42.059 0.014 0.000 0.910 235 L HN 0.098 nan 8.230 nan 0.000 0.437 236 I N -0.997 119.585 120.570 0.020 0.000 2.315 236 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 236 I C 2.302 178.443 176.117 0.040 0.000 1.117 236 I CA 0.996 62.309 61.300 0.022 0.000 1.404 236 I CB -0.295 37.708 38.000 0.005 0.000 1.071 236 I HN 0.303 nan 8.210 nan 0.000 0.419 237 L N 1.096 122.344 121.223 0.041 0.000 1.989 237 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 237 L C 2.609 179.527 176.870 0.080 0.000 1.071 237 L CA 2.281 57.156 54.840 0.059 0.000 0.749 237 L CB -0.594 41.494 42.059 0.048 0.000 0.890 237 L HN 0.201 nan 8.230 nan 0.000 0.431 238 A N -0.669 122.197 122.820 0.075 0.000 1.902 238 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 238 A C 2.247 179.895 177.584 0.107 0.000 1.181 238 A CA 1.962 54.053 52.037 0.091 0.000 0.623 238 A CB -1.056 17.999 19.000 0.091 0.000 0.818 238 A HN 0.555 nan 8.150 nan 0.000 0.443 239 L N -1.009 120.273 121.223 0.099 0.000 2.027 239 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 239 L C 2.211 179.145 176.870 0.106 0.000 1.074 239 L CA 2.019 56.923 54.840 0.106 0.000 0.745 239 L CB -0.360 41.749 42.059 0.085 0.000 0.898 239 L HN 0.298 nan 8.230 nan 0.000 0.433 240 M N -1.078 118.575 119.600 0.087 0.000 2.476 240 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 240 M C 2.225 178.594 176.300 0.115 0.000 1.079 240 M CA 1.105 56.452 55.300 0.078 0.000 1.104 240 M CB -0.816 31.811 32.600 0.045 0.000 1.409 240 M HN 0.352 nan 8.290 nan 0.000 0.467 241 L N -0.395 120.928 121.223 0.168 0.000 2.056 241 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 241 L C 2.252 179.274 176.870 0.254 0.000 1.078 241 L CA 0.752 55.758 54.840 0.275 0.000 0.749 241 L CB -0.378 41.804 42.059 0.206 0.000 0.901 241 L HN 0.199 nan 8.230 nan 0.000 0.433 242 L N -1.149 120.180 121.223 0.175 0.000 2.023 242 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 242 L C 2.374 179.332 176.870 0.147 0.000 1.073 242 L CA 1.436 56.370 54.840 0.158 0.000 0.745 242 L CB -0.740 41.411 42.059 0.154 0.000 0.900 242 L HN -0.054 nan 8.230 nan 0.000 0.435 243 V N -0.441 119.564 119.914 0.152 0.000 2.392 243 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 243 V C 1.901 178.093 176.094 0.164 0.000 1.059 243 V CA 1.608 64.022 62.300 0.189 0.000 1.051 243 V CB -0.496 31.440 31.823 0.188 0.000 0.658 243 V HN 0.382 nan 8.190 nan 0.000 0.455 244 L N -3.053 118.194 121.223 0.040 0.000 2.693 244 L HA 0.340 4.680 4.340 -0.000 0.000 0.235 244 L C 1.354 177.939 176.870 -0.476 0.000 1.127 244 L CA 0.195 54.937 54.840 -0.164 0.000 0.914 244 L CB 0.150 42.047 42.059 -0.271 0.000 1.193 244 L HN 0.212 nan 8.230 nan 0.000 0.502 245 F N -0.107 119.887 119.950 0.074 0.000 2.675 245 F HA 0.392 4.919 4.527 -0.000 0.000 0.315 245 F C 1.152 176.960 175.800 0.013 0.000 0.888 245 F CA -0.218 57.805 58.000 0.038 0.000 1.100 245 F CB 0.385 39.406 39.000 0.034 0.000 0.908 245 F HN -0.158 nan 8.300 nan 0.000 0.657 246 A N 0.502 123.439 122.820 0.195 0.000 3.297 246 A HA 0.541 4.861 4.320 -0.000 0.000 0.304 246 A C -2.175 175.433 177.584 0.039 0.000 0.963 246 A CA -0.844 51.251 52.037 0.096 0.000 0.935 246 A CB -0.411 18.647 19.000 0.097 0.000 1.093 246 A HN -0.003 nan 8.150 nan 0.000 0.480 247 P HA -0.025 nan 4.420 nan 0.000 0.226 247 P C 0.287 177.498 177.300 -0.148 0.000 1.153 247 P CA 1.100 64.109 63.100 -0.153 0.000 0.777 247 P CB 0.329 31.743 31.700 -0.477 0.000 0.794 248 D N -1.692 118.647 120.400 -0.101 0.000 2.433 248 D HA 0.103 4.743 4.640 -0.000 0.000 0.211 248 D C 1.553 177.864 176.300 0.018 0.000 1.114 248 D CA -0.126 53.844 54.000 -0.049 0.000 0.837 248 D CB 0.277 40.996 40.800 -0.135 0.000 0.984 248 D HN 0.108 nan 8.370 nan 0.000 0.505 249 L N 0.497 121.742 121.223 0.037 0.000 2.005 249 L HA -0.075 4.264 4.340 -0.000 0.000 0.207 249 L C 1.995 178.918 176.870 0.088 0.000 1.072 249 L CA 1.395 56.267 54.840 0.052 0.000 0.744 249 L CB -0.029 42.060 42.059 0.051 0.000 0.895 249 L HN -0.027 nan 8.230 nan 0.000 0.433 250 L N -0.734 120.572 121.223 0.137 0.000 2.591 250 L HA 0.203 4.543 4.340 -0.000 0.000 0.228 250 L C 0.967 177.961 176.870 0.207 0.000 1.133 250 L CA -0.057 54.909 54.840 0.211 0.000 0.880 250 L CB -0.681 41.573 42.059 0.324 0.000 1.033 250 L HN 0.302 nan 8.230 nan 0.000 0.450 251 G N -0.955 107.953 108.800 0.179 0.000 2.461 251 G HA2 0.308 4.268 3.960 -0.000 0.000 0.329 251 G HA3 0.308 4.268 3.960 -0.000 0.000 0.329 251 G C -1.629 173.386 174.900 0.191 0.000 1.170 251 G CA -0.332 44.894 45.100 0.211 0.000 0.935 251 G HN -0.022 nan 8.290 nan 0.000 0.492 252 D N -0.130 120.419 120.400 0.248 0.000 2.233 252 D HA 0.462 5.102 4.640 -0.000 0.000 0.240 252 D C -1.337 175.129 176.300 0.277 0.000 1.074 252 D CA -1.687 52.462 54.000 0.247 0.000 0.838 252 D CB 2.366 43.332 40.800 0.277 0.000 1.124 252 D HN 0.005 nan 8.370 nan 0.000 0.475 253 P HA -0.072 nan 4.420 nan 0.000 0.219 253 P C 0.210 177.674 177.300 0.273 0.000 1.146 253 P CA 0.836 64.061 63.100 0.209 0.000 0.808 253 P CB 0.261 32.036 31.700 0.125 0.000 0.779 254 D N -1.193 119.347 120.400 0.232 0.000 2.221 254 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 254 D C 1.583 178.006 176.300 0.204 0.000 0.982 254 D CA 0.788 54.891 54.000 0.171 0.000 0.857 254 D CB -0.639 40.206 40.800 0.075 0.000 0.934 254 D HN 0.058 nan 8.370 nan 0.000 0.475 255 N N -0.680 118.163 118.700 0.239 0.000 2.573 255 N HA -0.112 4.628 4.740 -0.000 0.000 0.187 255 N C 0.363 176.017 175.510 0.240 0.000 1.107 255 N CA 0.491 53.649 53.050 0.179 0.000 0.918 255 N CB -0.019 38.500 38.487 0.053 0.000 0.966 255 N HN 0.332 nan 8.380 nan 0.000 0.448 256 Y N -0.614 119.836 120.300 0.250 0.000 2.466 256 Y HA 0.123 4.673 4.550 -0.000 0.000 0.272 256 Y C 0.629 176.770 175.900 0.402 0.000 1.169 256 Y CA 0.046 58.351 58.100 0.341 0.000 1.285 256 Y CB 0.101 38.681 38.460 0.199 0.000 1.078 256 Y HN -0.091 nan 8.280 nan 0.000 0.523 257 T N -2.074 112.650 114.554 0.284 0.000 2.829 257 T HA 0.481 4.831 4.350 -0.000 0.000 0.280 257 T C -2.926 171.558 174.700 -0.361 0.000 0.999 257 T CA -2.869 59.201 62.100 -0.050 0.000 0.983 257 T CB 2.316 71.177 68.868 -0.011 0.000 0.968 257 T HN -0.294 nan 8.240 nan 0.000 0.446 258 P HA 0.278 nan 4.420 nan 0.000 0.268 258 P C -0.130 176.927 177.300 -0.405 0.000 1.208 258 P CA -0.217 62.376 63.100 -0.845 0.000 0.777 258 P CB 0.168 31.413 31.700 -0.758 0.000 0.875 259 A N 2.567 125.135 122.820 -0.420 0.000 2.540 259 A HA 0.115 4.435 4.320 -0.000 0.000 0.239 259 A C 0.456 177.742 177.584 -0.497 0.000 1.061 259 A CA 0.436 52.120 52.037 -0.589 0.000 0.758 259 A CB -0.568 17.662 19.000 -1.284 0.000 0.991 259 A HN 0.611 nan 8.150 nan 0.000 0.502 260 N N 3.127 121.565 118.700 -0.436 0.000 2.607 260 N HA 0.282 5.022 4.740 -0.000 0.000 0.271 260 N C -2.613 172.740 175.510 -0.261 0.000 1.142 260 N CA -1.295 51.583 53.050 -0.287 0.000 0.810 260 N CB 1.929 40.360 38.487 -0.093 0.000 1.306 260 N HN 0.157 nan 8.380 nan 0.000 0.536 261 P HA 0.010 nan 4.420 nan 0.000 0.228 261 P C 1.020 178.409 177.300 0.148 0.000 1.151 261 P CA 0.775 63.543 63.100 -0.554 0.000 0.770 261 P CB 0.448 31.787 31.700 -0.602 0.000 0.786 262 L N -2.442 118.848 121.223 0.112 0.000 2.416 262 L HA 0.146 4.486 4.340 -0.000 0.000 0.216 262 L C 0.893 177.853 176.870 0.149 0.000 1.098 262 L CA 0.402 55.322 54.840 0.133 0.000 0.840 262 L CB -0.557 41.523 42.059 0.033 0.000 0.981 262 L HN -0.126 nan 8.230 nan 0.000 0.462 263 N N -0.180 118.621 118.700 0.169 0.000 2.476 263 N HA 0.217 4.957 4.740 -0.000 0.000 0.257 263 N C -0.834 174.601 175.510 -0.126 0.000 0.970 263 N CA -0.201 52.865 53.050 0.026 0.000 0.938 263 N CB 0.963 39.447 38.487 -0.006 0.000 1.144 263 N HN -0.115 nan 8.380 nan 0.000 0.500 264 T N 4.030 118.283 114.554 -0.502 0.000 2.817 264 T HA 0.359 4.709 4.350 -0.000 0.000 0.293 264 T C -2.255 172.073 174.700 -0.620 0.000 0.964 264 T CA -0.928 60.493 62.100 -1.132 0.000 1.085 264 T CB 1.045 69.295 68.868 -1.030 0.000 0.921 264 T HN 0.414 nan 8.240 nan 0.000 0.502 265 P HA 0.174 nan 4.420 nan 0.000 0.272 265 P C -1.463 175.669 177.300 -0.281 0.000 1.230 265 P CA -1.424 61.465 63.100 -0.352 0.000 0.788 265 P CB 0.048 31.535 31.700 -0.354 0.000 0.949 266 P HA -0.144 nan 4.420 nan 0.000 0.215 266 P C 0.202 177.495 177.300 -0.011 0.000 1.157 266 P CA 1.800 64.864 63.100 -0.060 0.000 0.868 266 P CB -0.302 31.426 31.700 0.046 0.000 0.788 267 H N -1.090 117.967 119.070 -0.022 0.000 2.492 267 H HA 0.576 5.132 4.556 -0.000 0.000 0.345 267 H C -0.928 174.402 175.328 0.003 0.000 1.136 267 H CA -1.248 54.800 56.048 0.002 0.000 1.202 267 H CB 1.561 31.331 29.762 0.013 0.000 1.524 267 H HN -0.127 nan 8.280 nan 0.000 0.506 268 I N 4.149 124.756 120.570 0.063 0.000 2.502 268 I HA 0.124 4.294 4.170 -0.000 0.000 0.276 268 I C -0.328 175.775 176.117 -0.023 0.000 1.057 268 I CA -0.193 61.125 61.300 0.030 0.000 1.163 268 I CB 0.657 38.708 38.000 0.086 0.000 1.288 268 I HN 0.528 nan 8.210 nan 0.000 0.479 269 K N 5.998 126.381 120.400 -0.028 0.000 2.345 269 K HA 0.750 5.070 4.320 -0.000 0.000 0.255 269 K C -3.063 173.374 176.600 -0.272 0.000 0.934 269 K CA -1.718 54.454 56.287 -0.193 0.000 0.801 269 K CB 1.968 34.456 32.500 -0.020 0.000 1.137 269 K HN -0.001 nan 8.250 nan 0.000 0.424 270 P HA 0.012 nan 4.420 nan 0.000 0.271 270 P C -0.565 176.456 177.300 -0.465 0.000 1.244 270 P CA -0.240 62.572 63.100 -0.479 0.000 0.793 270 P CB 0.412 31.866 31.700 -0.410 0.000 0.984 271 E N 1.003 120.738 120.200 -0.775 0.000 2.418 271 E HA -0.078 4.272 4.350 -0.000 0.000 0.261 271 E C 1.497 177.633 176.600 -0.774 0.000 1.070 271 E CA 0.018 55.940 56.400 -0.798 0.000 0.931 271 E CB 0.145 29.051 29.700 -1.323 0.000 0.954 271 E HN 0.671 nan 8.360 nan 0.000 0.439 272 W N 3.545 124.633 121.300 -0.353 0.000 2.292 272 W HA -0.325 4.335 4.660 -0.000 0.000 0.304 272 W C 1.405 177.951 176.519 0.045 0.000 1.228 272 W CA 1.533 58.825 57.345 -0.088 0.000 1.241 272 W CB -1.260 28.233 29.460 0.054 0.000 1.142 272 W HN 0.669 nan 8.180 nan 0.000 0.520 273 Y N -2.599 117.089 120.300 -1.019 0.000 2.574 273 Y HA 0.064 4.614 4.550 -0.000 0.000 0.294 273 Y C 1.610 177.530 175.900 0.033 0.000 1.142 273 Y CA 0.560 58.190 58.100 -0.783 0.000 1.314 273 Y CB -1.600 35.935 38.460 -1.542 0.000 0.991 273 Y HN -0.202 nan 8.280 nan 0.000 0.555 274 F N -0.323 119.426 119.950 -0.335 0.000 2.706 274 F HA 0.285 4.812 4.527 -0.000 0.000 0.308 274 F C 1.645 177.293 175.800 -0.252 0.000 1.095 274 F CA -1.083 56.744 58.000 -0.288 0.000 1.244 274 F CB -0.447 38.339 39.000 -0.357 0.000 1.063 274 F HN 0.123 nan 8.300 nan 0.000 0.582 275 L N -0.197 121.066 121.223 0.067 0.000 2.042 275 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 275 L C 2.688 179.611 176.870 0.088 0.000 1.076 275 L CA 1.802 56.697 54.840 0.092 0.000 0.749 275 L CB -0.969 41.172 42.059 0.137 0.000 0.893 275 L HN 0.196 nan 8.230 nan 0.000 0.432 276 F N 0.416 120.396 119.950 0.050 0.000 2.126 276 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 276 F C 2.369 178.120 175.800 -0.083 0.000 1.096 276 F CA 1.128 59.105 58.000 -0.037 0.000 1.255 276 F CB -0.963 37.973 39.000 -0.107 0.000 0.997 276 F HN -0.071 nan 8.300 nan 0.000 0.479 277 A N -0.763 121.330 122.820 -1.213 0.000 1.970 277 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 277 A C 2.117 179.482 177.584 -0.366 0.000 1.170 277 A CA 0.958 52.447 52.037 -0.912 0.000 0.645 277 A CB -1.542 16.782 19.000 -1.126 0.000 0.816 277 A HN 0.596 nan 8.150 nan 0.000 0.447 278 Y N 0.814 120.902 120.300 -0.354 0.000 2.224 278 Y HA -0.096 4.454 4.550 -0.000 0.000 0.289 278 Y C 2.610 178.424 175.900 -0.142 0.000 1.146 278 Y CA 0.955 58.940 58.100 -0.192 0.000 1.182 278 Y CB -0.423 37.965 38.460 -0.121 0.000 0.983 278 Y HN 0.320 nan 8.280 nan 0.000 0.524 279 A N 0.199 122.963 122.820 -0.093 0.000 1.858 279 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 279 A C 2.262 179.761 177.584 -0.142 0.000 1.190 279 A CA 1.987 53.949 52.037 -0.126 0.000 0.617 279 A CB -1.183 17.782 19.000 -0.057 0.000 0.827 279 A HN 0.502 nan 8.150 nan 0.000 0.443 280 I N -0.575 119.923 120.570 -0.120 0.000 2.194 280 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 280 I C 2.439 178.501 176.117 -0.091 0.000 1.093 280 I CA 1.528 62.792 61.300 -0.061 0.000 1.355 280 I CB -0.254 37.730 38.000 -0.026 0.000 1.046 280 I HN 0.497 nan 8.210 nan 0.000 0.413 281 L N 0.827 121.950 121.223 -0.167 0.000 1.994 281 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 281 L C 2.495 179.249 176.870 -0.193 0.000 1.071 281 L CA 1.828 56.559 54.840 -0.182 0.000 0.745 281 L CB -0.523 41.398 42.059 -0.230 0.000 0.892 281 L HN 0.071 nan 8.230 nan 0.000 0.431 282 R N -0.860 119.477 120.500 -0.271 0.000 2.235 282 R HA 0.015 4.355 4.340 -0.000 0.000 0.213 282 R C 2.152 178.372 176.300 -0.133 0.000 1.059 282 R CA 0.929 56.893 56.100 -0.226 0.000 0.997 282 R CB -0.309 29.809 30.300 -0.304 0.000 0.884 282 R HN 0.400 nan 8.270 nan 0.000 0.462 283 S N 1.051 116.684 115.700 -0.111 0.000 2.383 283 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 283 S C 0.906 175.479 174.600 -0.045 0.000 1.026 283 S CA 0.529 58.691 58.200 -0.062 0.000 0.981 283 S CB -0.010 63.168 63.200 -0.036 0.000 0.818 283 S HN 0.236 nan 8.310 nan 0.000 0.472 284 I N 3.346 123.884 120.570 -0.052 0.000 2.315 284 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 284 I C -1.782 174.306 176.117 -0.048 0.000 1.006 284 I CA -2.261 59.012 61.300 -0.045 0.000 1.265 284 I CB 1.646 39.617 38.000 -0.049 0.000 1.387 284 I HN -0.091 nan 8.210 nan 0.000 0.475 285 P HA -0.107 nan 4.420 nan 0.000 0.221 285 P C 0.176 177.458 177.300 -0.030 0.000 1.150 285 P CA 0.735 63.816 63.100 -0.032 0.000 0.800 285 P CB -0.084 31.603 31.700 -0.022 0.000 0.787 286 N N 0.764 119.445 118.700 -0.032 0.000 2.492 286 N HA -0.028 4.712 4.740 -0.000 0.000 0.260 286 N C 1.092 176.582 175.510 -0.033 0.000 1.215 286 N CA 0.197 53.229 53.050 -0.030 0.000 0.923 286 N CB 0.914 39.380 38.487 -0.034 0.000 1.092 286 N HN -0.062 nan 8.380 nan 0.000 0.448 287 K N 1.835 122.220 120.400 -0.025 0.000 1.984 287 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 287 K C 1.728 178.309 176.600 -0.032 0.000 1.046 287 K CA 1.048 57.322 56.287 -0.022 0.000 0.934 287 K CB -0.169 32.326 32.500 -0.008 0.000 0.717 287 K HN 0.406 nan 8.250 nan 0.000 0.438 288 L N 0.640 121.844 121.223 -0.032 0.000 2.056 288 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 288 L C 2.049 178.887 176.870 -0.052 0.000 1.078 288 L CA 1.922 56.738 54.840 -0.039 0.000 0.749 288 L CB -0.949 41.089 42.059 -0.035 0.000 0.901 288 L HN 0.241 nan 8.230 nan 0.000 0.433 289 G N -1.019 107.748 108.800 -0.055 0.000 2.450 289 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 289 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 289 G C 1.475 176.334 174.900 -0.069 0.000 1.130 289 G CA 0.622 45.682 45.100 -0.068 0.000 0.760 289 G HN 0.601 nan 8.290 nan 0.000 0.557 290 G N 0.903 109.666 108.800 -0.061 0.000 2.484 290 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 290 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 290 G C 1.858 176.720 174.900 -0.064 0.000 1.219 290 G CA 2.024 47.084 45.100 -0.066 0.000 0.791 290 G HN 0.453 nan 8.290 nan 0.000 0.550 291 V N 0.553 120.431 119.914 -0.060 0.000 2.407 291 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 291 V C 2.830 178.897 176.094 -0.046 0.000 1.055 291 V CA 1.259 63.523 62.300 -0.059 0.000 1.049 291 V CB -0.730 31.057 31.823 -0.059 0.000 0.662 291 V HN 0.298 nan 8.190 nan 0.000 0.455 292 L N 0.257 121.447 121.223 -0.055 0.000 2.141 292 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 292 L C 2.727 179.576 176.870 -0.036 0.000 1.094 292 L CA 1.330 56.132 54.840 -0.063 0.000 0.763 292 L CB -0.585 41.413 42.059 -0.102 0.000 0.908 292 L HN 0.408 nan 8.230 nan 0.000 0.437 293 A N -0.672 122.121 122.820 -0.044 0.000 2.016 293 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 293 A C 2.081 179.740 177.584 0.125 0.000 1.162 293 A CA 0.762 52.783 52.037 -0.026 0.000 0.662 293 A CB -0.273 18.668 19.000 -0.099 0.000 0.812 293 A HN 0.268 nan 8.150 nan 0.000 0.450 294 L N -0.368 120.881 121.223 0.044 0.000 2.072 294 L HA 0.057 4.397 4.340 -0.000 0.000 0.205 294 L C 2.676 179.571 176.870 0.043 0.000 1.079 294 L CA 1.883 56.728 54.840 0.008 0.000 0.752 294 L CB -0.906 41.107 42.059 -0.076 0.000 0.906 294 L HN 0.342 nan 8.230 nan 0.000 0.436 295 A N -1.469 121.389 122.820 0.064 0.000 1.898 295 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 295 A C 2.162 179.896 177.584 0.250 0.000 1.181 295 A CA 1.323 53.416 52.037 0.093 0.000 0.620 295 A CB -1.007 18.025 19.000 0.053 0.000 0.819 295 A HN 0.391 nan 8.150 nan 0.000 0.442 296 F N 1.050 121.068 119.950 0.112 0.000 2.408 296 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 296 F C 2.626 178.719 175.800 0.488 0.000 1.090 296 F CA 0.717 58.864 58.000 0.245 0.000 1.427 296 F CB -0.524 38.565 39.000 0.148 0.000 1.070 296 F HN 0.276 nan 8.300 nan 0.000 0.549 297 S N -0.302 115.701 115.700 0.505 0.000 2.399 297 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 297 S C 1.904 176.638 174.600 0.224 0.000 1.022 297 S CA 1.522 59.920 58.200 0.329 0.000 0.983 297 S CB -0.123 63.155 63.200 0.130 0.000 0.803 297 S HN 0.238 nan 8.310 nan 0.000 0.480 298 I N 0.027 120.707 120.570 0.183 0.000 3.194 298 I HA 0.232 4.402 4.170 -0.000 0.000 0.271 298 I C 2.013 178.195 176.117 0.108 0.000 1.150 298 I CA 0.336 61.723 61.300 0.145 0.000 1.440 298 I CB -1.418 36.650 38.000 0.113 0.000 1.276 298 I HN 0.236 nan 8.210 nan 0.000 0.457 299 L N 1.019 122.327 121.223 0.143 0.000 2.351 299 L HA -0.198 4.142 4.340 -0.000 0.000 0.220 299 L C 2.448 179.403 176.870 0.143 0.000 1.127 299 L CA 1.116 56.057 54.840 0.169 0.000 0.786 299 L CB -0.287 41.932 42.059 0.265 0.000 0.914 299 L HN 0.178 nan 8.230 nan 0.000 0.443 300 I N -0.731 119.833 120.570 -0.009 0.000 2.361 300 I HA -0.326 3.844 4.170 -0.000 0.000 0.251 300 I C 2.118 178.207 176.117 -0.048 0.000 1.133 300 I CA 1.317 62.485 61.300 -0.220 0.000 1.413 300 I CB 0.054 37.769 38.000 -0.475 0.000 1.073 300 I HN 0.176 nan 8.210 nan 0.000 0.424 301 L N 0.372 121.621 121.223 0.044 0.000 2.127 301 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 301 L C 2.643 179.735 176.870 0.369 0.000 1.089 301 L CA 1.241 56.200 54.840 0.198 0.000 0.757 301 L CB -0.942 41.186 42.059 0.114 0.000 0.899 301 L HN 0.300 nan 8.230 nan 0.000 0.434 302 A N -0.258 122.696 122.820 0.225 0.000 2.067 302 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 302 A C 2.238 179.934 177.584 0.187 0.000 1.158 302 A CA 1.191 53.376 52.037 0.246 0.000 0.661 302 A CB -0.453 18.640 19.000 0.155 0.000 0.801 302 A HN 0.404 nan 8.150 nan 0.000 0.452 303 L N -1.256 120.040 121.223 0.121 0.000 2.270 303 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 303 L C 2.220 179.071 176.870 -0.031 0.000 1.104 303 L CA 0.349 55.226 54.840 0.061 0.000 0.804 303 L CB -0.386 41.718 42.059 0.075 0.000 0.937 303 L HN 0.293 nan 8.230 nan 0.000 0.450 304 I N 0.614 121.128 120.570 -0.093 0.000 2.143 304 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 304 I C -0.450 175.387 176.117 -0.467 0.000 1.068 304 I CA 2.042 63.143 61.300 -0.332 0.000 1.326 304 I CB -1.103 36.635 38.000 -0.436 0.000 1.028 304 I HN 0.197 nan 8.210 nan 0.000 0.412 305 P HA -0.151 nan 4.420 nan 0.000 0.216 305 P C 1.655 178.939 177.300 -0.027 0.000 1.150 305 P CA 1.438 64.462 63.100 -0.127 0.000 0.837 305 P CB -0.058 31.607 31.700 -0.059 0.000 0.786 306 L N -2.201 119.005 121.223 -0.029 0.000 2.478 306 L HA 0.008 4.348 4.340 -0.000 0.000 0.223 306 L C 1.519 178.385 176.870 -0.007 0.000 1.140 306 L CA 0.618 55.459 54.840 0.001 0.000 0.842 306 L CB -0.566 41.503 42.059 0.016 0.000 0.953 306 L HN -0.031 nan 8.230 nan 0.000 0.452 307 L N -1.682 119.514 121.223 -0.045 0.000 2.769 307 L HA 0.166 4.506 4.340 -0.000 0.000 0.240 307 L C 0.417 177.253 176.870 -0.056 0.000 1.163 307 L CA -0.285 54.517 54.840 -0.062 0.000 0.962 307 L CB -0.347 41.652 42.059 -0.101 0.000 1.258 307 L HN 0.100 nan 8.230 nan 0.000 0.513 308 H N -0.537 118.480 119.070 -0.089 0.000 2.690 308 H HA 0.120 4.676 4.556 -0.000 0.000 0.314 308 H C 0.949 176.250 175.328 -0.045 0.000 1.069 308 H CA 0.575 56.604 56.048 -0.032 0.000 1.436 308 H CB 1.227 31.043 29.762 0.090 0.000 1.462 308 H HN -0.025 nan 8.280 nan 0.000 0.511 309 T N 1.780 116.101 114.554 -0.388 0.000 2.966 309 T HA 0.116 4.466 4.350 -0.000 0.000 0.254 309 T C 0.530 175.057 174.700 -0.289 0.000 0.961 309 T CA 0.177 62.136 62.100 -0.235 0.000 0.915 309 T CB -0.047 68.723 68.868 -0.163 0.000 1.186 309 T HN 0.511 nan 8.240 nan 0.000 0.505 310 S N 0.860 116.240 115.700 -0.532 0.000 2.572 310 S HA 0.281 4.751 4.470 -0.000 0.000 0.279 310 S C 1.090 175.561 174.600 -0.214 0.000 1.341 310 S CA -0.173 57.820 58.200 -0.346 0.000 1.043 310 S CB 1.063 64.048 63.200 -0.358 0.000 0.887 310 S HN 0.382 nan 8.310 nan 0.000 0.516 311 K N 1.818 122.066 120.400 -0.253 0.000 2.288 311 K HA 0.085 4.405 4.320 -0.000 0.000 0.201 311 K C 0.578 176.949 176.600 -0.382 0.000 1.048 311 K CA 0.975 56.976 56.287 -0.478 0.000 0.956 311 K CB 0.114 31.986 32.500 -1.048 0.000 0.746 311 K HN 0.628 nan 8.250 nan 0.000 0.461 312 Q N -0.691 119.018 119.800 -0.153 0.000 2.226 312 Q HA 0.256 4.596 4.340 -0.000 0.000 0.256 312 Q C 0.486 176.518 176.000 0.053 0.000 0.962 312 Q CA -0.506 55.298 55.803 0.002 0.000 0.887 312 Q CB 1.796 30.630 28.738 0.160 0.000 1.282 312 Q HN -0.006 nan 8.270 nan 0.000 0.449 313 R N 0.415 120.919 120.500 0.007 0.000 2.052 313 R HA 0.039 4.379 4.340 -0.000 0.000 0.226 313 R C 0.785 177.021 176.300 -0.105 0.000 1.145 313 R CA 0.654 56.696 56.100 -0.097 0.000 0.952 313 R CB 0.101 30.289 30.300 -0.185 0.000 0.847 313 R HN 0.553 nan 8.270 nan 0.000 0.431 314 S N -0.566 115.076 115.700 -0.096 0.000 2.652 314 S HA 0.140 4.610 4.470 -0.000 0.000 0.270 314 S C 0.935 175.334 174.600 -0.334 0.000 1.243 314 S CA -0.502 57.581 58.200 -0.194 0.000 0.999 314 S CB 1.064 64.210 63.200 -0.091 0.000 0.973 314 S HN 0.254 nan 8.310 nan 0.000 0.544 315 M N 2.688 121.877 119.600 -0.685 0.000 2.561 315 M HA 0.082 4.562 4.480 -0.000 0.000 0.238 315 M C 1.859 177.785 176.300 -0.623 0.000 1.131 315 M CA 0.165 54.973 55.300 -0.820 0.000 1.046 315 M CB -0.122 31.588 32.600 -1.484 0.000 1.532 315 M HN 0.727 nan 8.290 nan 0.000 0.497 316 M N 0.083 119.349 119.600 -0.556 0.000 2.108 316 M HA -0.223 4.257 4.480 -0.000 0.000 0.257 316 M C 0.302 176.311 176.300 -0.485 0.000 1.071 316 M CA 2.024 57.014 55.300 -0.516 0.000 1.093 316 M CB -0.065 32.047 32.600 -0.814 0.000 1.345 316 M HN 0.223 nan 8.290 nan 0.000 0.403 317 F N -0.658 119.291 119.950 -0.002 0.000 2.750 317 F HA 0.327 4.854 4.527 -0.000 0.000 0.297 317 F C 0.174 175.973 175.800 -0.003 0.000 1.138 317 F CA -0.186 57.824 58.000 0.017 0.000 1.346 317 F CB -0.014 39.011 39.000 0.041 0.000 0.965 317 F HN -0.125 nan 8.300 nan 0.000 0.514 318 R N 0.824 121.343 120.500 0.032 0.000 2.494 318 R HA 0.249 4.589 4.340 -0.000 0.000 0.284 318 R C -2.283 174.007 176.300 -0.017 0.000 1.525 318 R CA -1.315 54.782 56.100 -0.005 0.000 1.460 318 R CB 0.940 31.188 30.300 -0.086 0.000 1.134 318 R HN -0.008 nan 8.270 nan 0.000 0.592 319 P HA -0.158 nan 4.420 nan 0.000 0.216 319 P C 1.429 178.759 177.300 0.050 0.000 1.153 319 P CA 0.434 63.568 63.100 0.057 0.000 0.848 319 P CB 0.339 32.078 31.700 0.066 0.000 0.787 320 L N -0.291 120.950 121.223 0.031 0.000 2.013 320 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 320 L C 2.157 179.034 176.870 0.011 0.000 1.073 320 L CA 2.163 57.017 54.840 0.023 0.000 0.753 320 L CB -1.685 40.380 42.059 0.010 0.000 0.890 320 L HN -0.000 nan 8.230 nan 0.000 0.432 321 S N -1.098 114.587 115.700 -0.025 0.000 2.402 321 S HA -0.180 4.290 4.470 -0.000 0.000 0.229 321 S C 1.801 176.377 174.600 -0.039 0.000 1.021 321 S CA 0.761 58.924 58.200 -0.062 0.000 0.974 321 S CB 0.005 63.123 63.200 -0.136 0.000 0.800 321 S HN 0.454 nan 8.310 nan 0.000 0.484 322 Q N -0.193 119.601 119.800 -0.011 0.000 2.124 322 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 322 Q C 2.280 178.441 176.000 0.269 0.000 0.977 322 Q CA 1.486 57.358 55.803 0.115 0.000 0.850 322 Q CB -0.232 28.615 28.738 0.181 0.000 0.901 322 Q HN 0.570 nan 8.270 nan 0.000 0.429 323 C N -0.138 119.282 119.300 0.201 0.000 2.466 323 C HA -0.044 4.416 4.460 -0.000 0.000 0.278 323 C C 2.419 177.507 174.990 0.163 0.000 1.288 323 C CA 0.305 59.450 59.018 0.212 0.000 1.722 323 C CB -0.851 26.969 27.740 0.133 0.000 2.017 323 C HN 0.498 nan 8.230 nan 0.000 0.488 324 L N -0.201 121.076 121.223 0.090 0.000 2.201 324 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 324 L C 2.360 179.238 176.870 0.013 0.000 1.105 324 L CA 1.259 56.120 54.840 0.036 0.000 0.775 324 L CB -0.631 41.427 42.059 -0.002 0.000 0.913 324 L HN 0.346 nan 8.230 nan 0.000 0.440 325 F N 0.070 119.932 119.950 -0.147 0.000 2.060 325 F HA -0.205 4.322 4.527 -0.000 0.000 0.295 325 F C 2.066 177.696 175.800 -0.283 0.000 1.120 325 F CA 1.492 59.320 58.000 -0.288 0.000 1.205 325 F CB -0.447 38.301 39.000 -0.420 0.000 0.986 325 F HN -0.056 nan 8.300 nan 0.000 0.470 326 W N 0.436 121.806 121.300 0.116 0.000 2.374 326 W HA -0.104 4.556 4.660 -0.000 0.000 0.288 326 W C 2.577 179.036 176.519 -0.100 0.000 1.218 326 W CA 1.181 58.512 57.345 -0.024 0.000 1.245 326 W CB -0.855 28.657 29.460 0.086 0.000 1.126 326 W HN 0.142 nan 8.180 nan 0.000 0.545 327 A N 0.153 123.042 122.820 0.115 0.000 1.908 327 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 327 A C 1.910 179.465 177.584 -0.048 0.000 1.181 327 A CA 1.741 53.800 52.037 0.037 0.000 0.627 327 A CB -0.980 18.037 19.000 0.029 0.000 0.818 327 A HN 0.284 nan 8.150 nan 0.000 0.445 328 L N -0.310 120.810 121.223 -0.172 0.000 2.046 328 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 328 L C 2.469 179.193 176.870 -0.242 0.000 1.077 328 L CA 1.741 56.434 54.840 -0.245 0.000 0.747 328 L CB -0.323 41.504 42.059 -0.387 0.000 0.896 328 L HN 0.188 nan 8.230 nan 0.000 0.432 329 V N -0.430 119.289 119.914 -0.326 0.000 2.307 329 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 329 V C 2.709 178.783 176.094 -0.035 0.000 1.045 329 V CA 1.590 63.770 62.300 -0.200 0.000 1.024 329 V CB -1.273 30.480 31.823 -0.116 0.000 0.651 329 V HN 0.561 nan 8.190 nan 0.000 0.449 330 A N 0.081 122.918 122.820 0.029 0.000 1.933 330 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 330 A C 2.032 179.642 177.584 0.045 0.000 1.175 330 A CA 2.206 54.271 52.037 0.047 0.000 0.628 330 A CB -0.704 18.333 19.000 0.060 0.000 0.814 330 A HN 0.606 nan 8.150 nan 0.000 0.444 331 D N -0.430 119.989 120.400 0.032 0.000 2.144 331 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 331 D C 1.764 178.102 176.300 0.064 0.000 0.978 331 D CA 1.025 55.061 54.000 0.060 0.000 0.833 331 D CB -0.159 40.674 40.800 0.056 0.000 0.961 331 D HN 0.418 nan 8.370 nan 0.000 0.470 332 L N -0.201 121.026 121.223 0.007 0.000 2.156 332 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 332 L C 2.247 179.135 176.870 0.030 0.000 1.095 332 L CA 0.360 55.173 54.840 -0.045 0.000 0.770 332 L CB -0.287 41.639 42.059 -0.222 0.000 0.914 332 L HN 0.190 nan 8.230 nan 0.000 0.439 333 L N -0.860 120.392 121.223 0.049 0.000 2.141 333 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 333 L C 2.350 179.326 176.870 0.176 0.000 1.094 333 L CA 1.844 56.744 54.840 0.100 0.000 0.763 333 L CB -0.587 41.510 42.059 0.063 0.000 0.908 333 L HN 0.156 nan 8.230 nan 0.000 0.437 334 T N -0.287 114.379 114.554 0.186 0.000 2.737 334 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 334 T C 1.940 176.814 174.700 0.291 0.000 1.038 334 T CA 1.860 64.152 62.100 0.319 0.000 1.144 334 T CB -0.464 68.559 68.868 0.258 0.000 0.866 334 T HN 0.295 nan 8.240 nan 0.000 0.434 335 L N 0.911 122.241 121.223 0.178 0.000 2.131 335 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 335 L C 2.920 179.886 176.870 0.159 0.000 1.092 335 L CA 1.150 56.068 54.840 0.130 0.000 0.759 335 L CB -1.048 41.081 42.059 0.117 0.000 0.903 335 L HN 0.305 nan 8.230 nan 0.000 0.435 336 T N -1.363 113.325 114.554 0.223 0.000 2.674 336 T HA -0.258 4.092 4.350 -0.000 0.000 0.265 336 T C 1.317 176.152 174.700 0.226 0.000 1.039 336 T CA 1.649 63.900 62.100 0.251 0.000 1.150 336 T CB -0.463 68.570 68.868 0.275 0.000 0.864 336 T HN 0.552 nan 8.240 nan 0.000 0.427 337 W N 2.236 123.558 121.300 0.037 0.000 2.335 337 W HA -0.109 4.551 4.660 -0.000 0.000 0.311 337 W C 1.648 178.113 176.519 -0.090 0.000 1.213 337 W CA 0.662 57.994 57.345 -0.022 0.000 1.274 337 W CB -0.647 28.798 29.460 -0.024 0.000 1.148 337 W HN 0.060 nan 8.180 nan 0.000 0.498 338 I N 1.475 121.822 120.570 -0.371 0.000 2.286 338 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 338 I C 2.570 178.504 176.117 -0.305 0.000 1.115 338 I CA 1.755 62.695 61.300 -0.600 0.000 1.392 338 I CB -2.089 35.674 38.000 -0.395 0.000 1.065 338 I HN 0.258 nan 8.210 nan 0.000 0.418 339 G N 0.735 109.481 108.800 -0.090 0.000 2.440 339 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 339 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 339 G C 1.572 176.511 174.900 0.064 0.000 1.154 339 G CA 0.833 45.972 45.100 0.064 0.000 0.767 339 G HN 0.504 nan 8.290 nan 0.000 0.552 340 G N -0.953 107.834 108.800 -0.022 0.000 3.181 340 G HA2 0.325 4.285 3.960 -0.000 0.000 0.219 340 G HA3 0.325 4.285 3.960 -0.000 0.000 0.219 340 G C 0.487 175.319 174.900 -0.114 0.000 1.182 340 G CA -0.113 44.967 45.100 -0.034 0.000 0.791 340 G HN 0.304 nan 8.290 nan 0.000 0.537 341 Q N 0.543 120.200 119.800 -0.239 0.000 2.345 341 Q HA 0.360 4.700 4.340 -0.000 0.000 0.268 341 Q C -2.413 173.491 176.000 -0.160 0.000 1.054 341 Q CA -1.993 53.598 55.803 -0.354 0.000 0.835 341 Q CB 2.357 30.481 28.738 -1.024 0.000 1.339 341 Q HN 0.056 nan 8.270 nan 0.000 0.447 342 P HA 0.004 nan 4.420 nan 0.000 0.270 342 P C 0.481 177.842 177.300 0.101 0.000 1.227 342 P CA -0.171 62.974 63.100 0.075 0.000 0.788 342 P CB 0.816 32.587 31.700 0.118 0.000 0.926 343 V N 0.007 119.963 119.914 0.070 0.000 3.602 343 V HA -0.021 4.099 4.120 -0.000 0.000 0.289 343 V C 1.225 177.353 176.094 0.057 0.000 1.265 343 V CA 0.722 63.050 62.300 0.045 0.000 1.202 343 V CB -1.415 30.410 31.823 0.004 0.000 1.012 343 V HN 0.519 nan 8.190 nan 0.000 0.431 344 E N -0.587 119.665 120.200 0.087 0.000 2.620 344 E HA 0.096 4.446 4.350 -0.000 0.000 0.255 344 E C 1.550 178.138 176.600 -0.019 0.000 1.346 344 E CA 0.221 56.647 56.400 0.044 0.000 1.013 344 E CB 0.140 29.865 29.700 0.042 0.000 1.131 344 E HN 0.425 nan 8.360 nan 0.000 0.608 345 H N 1.208 120.224 119.070 -0.090 0.000 2.275 345 H HA -0.172 4.384 4.556 -0.000 0.000 0.287 345 H C -0.994 174.260 175.328 -0.124 0.000 1.097 345 H CA 2.826 58.815 56.048 -0.100 0.000 1.169 345 H CB -1.046 28.663 29.762 -0.087 0.000 1.349 345 H HN 0.378 nan 8.280 nan 0.000 0.501 346 P HA -0.102 nan 4.420 nan 0.000 0.222 346 P C 1.236 178.358 177.300 -0.297 0.000 1.153 346 P CA 1.278 63.999 63.100 -0.630 0.000 0.798 346 P CB -0.419 31.014 31.700 -0.445 0.000 0.796 347 Y N 0.619 120.786 120.300 -0.221 0.000 2.314 347 Y HA -0.042 4.508 4.550 -0.000 0.000 0.293 347 Y C 2.479 178.261 175.900 -0.196 0.000 1.129 347 Y CA 0.123 58.074 58.100 -0.248 0.000 1.201 347 Y CB -1.776 36.524 38.460 -0.266 0.000 0.999 347 Y HN -0.084 nan 8.280 nan 0.000 0.541 348 I N -1.451 119.110 120.570 -0.016 0.000 2.179 348 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 348 I C 2.097 178.189 176.117 -0.042 0.000 1.088 348 I CA 1.911 63.190 61.300 -0.035 0.000 1.357 348 I CB -1.391 36.590 38.000 -0.032 0.000 1.051 348 I HN -0.024 nan 8.210 nan 0.000 0.409 349 T N 2.358 116.870 114.554 -0.069 0.000 2.668 349 T HA -0.090 4.260 4.350 -0.000 0.000 0.262 349 T C 1.996 176.688 174.700 -0.012 0.000 1.045 349 T CA 1.902 63.975 62.100 -0.045 0.000 1.152 349 T CB -0.609 68.215 68.868 -0.073 0.000 0.864 349 T HN 0.570 nan 8.240 nan 0.000 0.419 350 I N 1.283 121.851 120.570 -0.005 0.000 2.493 350 I HA 0.139 4.309 4.170 -0.000 0.000 0.254 350 I C 2.337 178.477 176.117 0.038 0.000 1.160 350 I CA 1.366 62.694 61.300 0.047 0.000 1.445 350 I CB -0.917 37.154 38.000 0.118 0.000 1.086 350 I HN 0.184 nan 8.210 nan 0.000 0.433 351 G N 1.407 110.200 108.800 -0.011 0.000 2.453 351 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 351 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 351 G C 1.564 176.467 174.900 0.005 0.000 1.201 351 G CA 0.925 46.006 45.100 -0.031 0.000 0.784 351 G HN 0.718 nan 8.290 nan 0.000 0.545 352 Q N -0.216 119.587 119.800 0.006 0.000 2.291 352 Q HA 0.084 4.424 4.340 -0.000 0.000 0.205 352 Q C 2.409 178.442 176.000 0.055 0.000 0.970 352 Q CA 0.813 56.633 55.803 0.027 0.000 0.876 352 Q CB -0.303 28.442 28.738 0.011 0.000 0.935 352 Q HN 0.406 nan 8.270 nan 0.000 0.455 353 L N 1.291 122.546 121.223 0.053 0.000 2.027 353 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 353 L C 2.565 179.490 176.870 0.091 0.000 1.074 353 L CA 1.886 56.767 54.840 0.068 0.000 0.745 353 L CB -0.606 41.491 42.059 0.063 0.000 0.898 353 L HN 0.331 nan 8.230 nan 0.000 0.433 354 A N -1.741 121.136 122.820 0.095 0.000 1.933 354 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 354 A C 2.394 180.062 177.584 0.139 0.000 1.175 354 A CA 1.917 54.022 52.037 0.113 0.000 0.628 354 A CB -0.747 18.320 19.000 0.112 0.000 0.814 354 A HN 0.471 nan 8.150 nan 0.000 0.444 355 S N -0.718 115.063 115.700 0.136 0.000 2.348 355 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 355 S C 1.923 176.724 174.600 0.335 0.000 1.033 355 S CA 1.336 59.660 58.200 0.206 0.000 1.010 355 S CB -0.729 62.560 63.200 0.148 0.000 0.891 355 S HN 0.429 nan 8.310 nan 0.000 0.442 356 V N 1.779 121.832 119.914 0.231 0.000 2.490 356 V HA -0.105 4.015 4.120 -0.000 0.000 0.250 356 V C 2.081 178.306 176.094 0.219 0.000 1.061 356 V CA 1.451 63.888 62.300 0.228 0.000 1.064 356 V CB -0.381 31.517 31.823 0.126 0.000 0.670 356 V HN 0.412 nan 8.190 nan 0.000 0.461 357 L N -0.489 120.835 121.223 0.167 0.000 2.046 357 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 357 L C 2.256 179.180 176.870 0.091 0.000 1.077 357 L CA 2.667 57.575 54.840 0.113 0.000 0.747 357 L CB -0.973 41.139 42.059 0.090 0.000 0.896 357 L HN 0.574 nan 8.230 nan 0.000 0.432 358 Y N -0.607 119.677 120.300 -0.026 0.000 2.081 358 Y HA -0.349 4.201 4.550 -0.000 0.000 0.280 358 Y C 2.088 177.811 175.900 -0.295 0.000 1.163 358 Y CA 2.258 60.238 58.100 -0.199 0.000 1.135 358 Y CB -0.542 37.743 38.460 -0.292 0.000 0.970 358 Y HN 0.214 nan 8.280 nan 0.000 0.498 359 F N -0.873 119.098 119.950 0.035 0.000 2.206 359 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 359 F C 2.244 177.988 175.800 -0.093 0.000 1.090 359 F CA 1.135 59.093 58.000 -0.071 0.000 1.323 359 F CB -0.750 38.299 39.000 0.082 0.000 1.028 359 F HN 0.082 nan 8.300 nan 0.000 0.492 360 L N -0.741 120.552 121.223 0.117 0.000 2.093 360 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 360 L C 2.213 179.061 176.870 -0.038 0.000 1.085 360 L CA 0.875 55.743 54.840 0.047 0.000 0.755 360 L CB -0.385 41.709 42.059 0.059 0.000 0.904 360 L HN 0.070 nan 8.230 nan 0.000 0.435 361 L N -0.661 120.503 121.223 -0.097 0.000 2.093 361 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 361 L C 2.145 178.892 176.870 -0.205 0.000 1.085 361 L CA 1.831 56.585 54.840 -0.144 0.000 0.755 361 L CB -0.398 41.560 42.059 -0.167 0.000 0.904 361 L HN 0.205 nan 8.230 nan 0.000 0.435 362 I N -2.219 118.166 120.570 -0.307 0.000 2.339 362 I HA -0.203 3.966 4.170 -0.000 0.000 0.245 362 I C 2.019 178.018 176.117 -0.196 0.000 1.096 362 I CA 0.434 61.542 61.300 -0.320 0.000 1.408 362 I CB -0.090 37.599 38.000 -0.519 0.000 1.092 362 I HN 0.138 nan 8.210 nan 0.000 0.423 363 L N -0.540 120.606 121.223 -0.127 0.000 2.179 363 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 363 L C 1.848 178.701 176.870 -0.029 0.000 1.096 363 L CA 1.541 56.356 54.840 -0.042 0.000 0.779 363 L CB 0.061 42.150 42.059 0.051 0.000 0.922 363 L HN 0.016 nan 8.230 nan 0.000 0.443 364 V N -2.944 116.950 119.914 -0.033 0.000 3.058 364 V HA 0.045 4.165 4.120 -0.000 0.000 0.233 364 V C 1.758 177.831 176.094 -0.037 0.000 1.255 364 V CA 0.090 62.377 62.300 -0.022 0.000 1.267 364 V CB 0.246 32.070 31.823 0.003 0.000 1.049 364 V HN 0.074 nan 8.190 nan 0.000 0.486 365 L N -0.194 121.002 121.223 -0.045 0.000 2.023 365 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 365 L C 2.315 179.150 176.870 -0.057 0.000 1.073 365 L CA 2.250 57.064 54.840 -0.043 0.000 0.745 365 L CB -0.664 41.372 42.059 -0.038 0.000 0.900 365 L HN 0.242 nan 8.230 nan 0.000 0.435 366 M N -0.977 118.573 119.600 -0.082 0.000 2.175 366 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 366 M C -0.478 175.760 176.300 -0.103 0.000 1.063 366 M CA 1.817 57.060 55.300 -0.094 0.000 1.119 366 M CB -1.080 31.450 32.600 -0.116 0.000 1.377 366 M HN 0.098 nan 8.290 nan 0.000 0.415 367 P HA -0.053 nan 4.420 nan 0.000 0.226 367 P C 0.957 178.210 177.300 -0.078 0.000 1.153 367 P CA 1.163 64.203 63.100 -0.099 0.000 0.777 367 P CB -0.106 31.545 31.700 -0.081 0.000 0.794 368 T N -1.009 113.509 114.554 -0.059 0.000 2.894 368 T HA 0.031 4.381 4.350 -0.000 0.000 0.258 368 T C 1.913 176.588 174.700 -0.042 0.000 1.043 368 T CA 1.160 63.235 62.100 -0.042 0.000 1.141 368 T CB -0.743 68.109 68.868 -0.027 0.000 0.873 368 T HN -0.003 nan 8.240 nan 0.000 0.449 369 A N 1.582 124.374 122.820 -0.047 0.000 1.908 369 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 369 A C 2.581 180.135 177.584 -0.050 0.000 1.181 369 A CA 1.921 53.934 52.037 -0.040 0.000 0.627 369 A CB -1.389 17.587 19.000 -0.039 0.000 0.818 369 A HN 0.501 nan 8.150 nan 0.000 0.445 370 G N -1.192 107.557 108.800 -0.086 0.000 2.422 370 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 370 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 370 G C 1.558 176.410 174.900 -0.081 0.000 1.146 370 G CA 1.661 46.692 45.100 -0.115 0.000 0.769 370 G HN 0.447 nan 8.290 nan 0.000 0.547 371 T N 1.243 115.757 114.554 -0.066 0.000 2.737 371 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 371 T C 2.392 177.088 174.700 -0.008 0.000 1.038 371 T CA 0.968 63.045 62.100 -0.038 0.000 1.144 371 T CB -0.140 68.707 68.868 -0.034 0.000 0.866 371 T HN 0.209 nan 8.240 nan 0.000 0.434 372 I N 1.091 121.656 120.570 -0.007 0.000 2.226 372 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 372 I C 2.594 178.725 176.117 0.023 0.000 1.100 372 I CA 1.407 62.712 61.300 0.007 0.000 1.374 372 I CB -0.320 37.681 38.000 0.003 0.000 1.057 372 I HN 0.300 nan 8.210 nan 0.000 0.413 373 E N 0.422 120.634 120.200 0.021 0.000 2.118 373 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 373 E C 1.846 178.505 176.600 0.098 0.000 0.992 373 E CA 1.171 57.599 56.400 0.047 0.000 0.804 373 E CB -0.157 29.563 29.700 0.034 0.000 0.741 373 E HN 0.486 nan 8.360 nan 0.000 0.458 374 N N 0.879 119.638 118.700 0.099 0.000 2.084 374 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 374 N C 1.510 177.120 175.510 0.168 0.000 1.030 374 N CA 0.935 54.092 53.050 0.179 0.000 0.849 374 N CB -0.102 38.441 38.487 0.093 0.000 1.012 374 N HN 0.068 nan 8.380 nan 0.000 0.423 375 K N 0.766 121.220 120.400 0.090 0.000 2.097 375 K HA -0.032 4.288 4.320 -0.000 0.000 0.206 375 K C 2.073 178.700 176.600 0.046 0.000 1.049 375 K CA 0.577 56.902 56.287 0.063 0.000 0.933 375 K CB -0.440 32.082 32.500 0.036 0.000 0.717 375 K HN 0.250 nan 8.250 nan 0.000 0.442 376 L N 0.537 121.785 121.223 0.041 0.000 2.217 376 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 376 L C 2.029 178.893 176.870 -0.010 0.000 1.107 376 L CA 0.688 55.538 54.840 0.016 0.000 0.783 376 L CB -0.136 41.935 42.059 0.019 0.000 0.919 376 L HN 0.065 nan 8.230 nan 0.000 0.442 377 L N -0.601 120.623 121.223 0.002 0.000 2.592 377 L HA 0.051 4.391 4.340 -0.000 0.000 0.227 377 L C 0.312 177.082 176.870 -0.166 0.000 1.127 377 L CA 0.017 54.788 54.840 -0.116 0.000 0.884 377 L CB -0.083 41.884 42.059 -0.153 0.000 1.065 377 L HN 0.154 nan 8.230 nan 0.000 0.457 378 K N -0.865 119.516 120.400 -0.031 0.000 3.244 378 K HA -0.219 4.101 4.320 -0.000 0.000 0.270 378 K C -0.641 176.014 176.600 0.092 0.000 1.016 378 K CA 0.356 56.643 56.287 -0.000 0.000 0.754 378 K CB -1.242 31.226 32.500 -0.053 0.000 1.326 378 K HN 0.227 nan 8.250 nan 0.000 0.465 379 W N 0.000 121.291 121.300 -0.015 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.337 57.345 -0.014 0.000 1.226 379 W CB 0.000 29.451 29.460 -0.016 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535