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 1sqp_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 0.000 174.706 174.700 0.010 0.000 1.109 2 T CA 0.000 62.105 62.100 0.009 0.000 1.349 2 T CB 0.000 68.874 68.868 0.011 0.000 0.612 3 N N 0.474 119.182 118.700 0.014 0.000 2.469 3 N HA 0.545 5.285 4.740 -0.000 0.000 0.253 3 N C 0.718 176.241 175.510 0.022 0.000 0.970 3 N CA -0.436 52.623 53.050 0.015 0.000 0.940 3 N CB 0.781 39.279 38.487 0.018 0.000 1.128 3 N HN 0.374 nan 8.380 nan 0.000 0.503 4 I N 2.190 122.770 120.570 0.016 0.000 2.208 4 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 4 I C 2.495 178.639 176.117 0.044 0.000 1.097 4 I CA 1.022 62.334 61.300 0.020 0.000 1.363 4 I CB -0.199 37.795 38.000 -0.010 0.000 1.051 4 I HN 0.597 nan 8.210 nan 0.000 0.413 5 R N 0.894 121.414 120.500 0.033 0.000 2.241 5 R HA -0.135 4.205 4.340 -0.000 0.000 0.224 5 R C 1.889 178.219 176.300 0.050 0.000 1.101 5 R CA 1.236 57.361 56.100 0.041 0.000 0.995 5 R CB 0.051 30.364 30.300 0.022 0.000 0.870 5 R HN 0.389 nan 8.270 nan 0.000 0.463 6 K N -1.196 119.230 120.400 0.044 0.000 2.276 6 K HA 0.030 4.350 4.320 -0.000 0.000 0.198 6 K C 1.719 178.342 176.600 0.038 0.000 1.052 6 K CA 1.063 57.372 56.287 0.037 0.000 0.984 6 K CB 0.512 33.029 32.500 0.028 0.000 0.836 6 K HN 0.103 nan 8.250 nan 0.000 0.490 7 S N -0.663 115.068 115.700 0.052 0.000 2.512 7 S HA 0.032 4.502 4.470 -0.000 0.000 0.216 7 S C 0.360 175.005 174.600 0.076 0.000 1.006 7 S CA -0.289 57.940 58.200 0.049 0.000 0.915 7 S CB -0.228 62.996 63.200 0.040 0.000 0.824 7 S HN 0.242 nan 8.310 nan 0.000 0.497 8 H N 4.075 123.146 119.070 0.003 0.000 2.819 8 H HA 0.358 4.914 4.556 -0.000 0.000 0.303 8 H C -2.464 172.866 175.328 0.003 0.000 1.058 8 H CA -1.748 54.301 56.048 0.002 0.000 1.471 8 H CB 0.910 30.672 29.762 0.001 0.000 1.480 8 H HN -0.024 nan 8.280 nan 0.000 0.517 9 P HA -0.088 nan 4.420 nan 0.000 0.249 9 P C 0.250 177.311 177.300 -0.399 0.000 1.227 9 P CA 0.750 63.655 63.100 -0.324 0.000 0.753 9 P CB 0.063 31.640 31.700 -0.205 0.000 0.966 10 L N -3.186 117.665 121.223 -0.619 0.000 2.688 10 L HA 0.283 4.623 4.340 -0.000 0.000 0.216 10 L C 1.937 178.760 176.870 -0.077 0.000 1.036 10 L CA 0.738 55.409 54.840 -0.281 0.000 0.906 10 L CB -0.354 41.588 42.059 -0.195 0.000 1.501 10 L HN -0.248 nan 8.230 nan 0.000 0.489 11 M N 0.017 119.636 119.600 0.031 0.000 2.200 11 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 11 M C 2.120 178.457 176.300 0.062 0.000 1.066 11 M CA 1.463 56.839 55.300 0.126 0.000 1.127 11 M CB -0.326 32.411 32.600 0.229 0.000 1.379 11 M HN 0.215 nan 8.290 nan 0.000 0.420 12 K N 1.572 121.987 120.400 0.024 0.000 2.044 12 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 12 K C 1.656 178.262 176.600 0.010 0.000 1.049 12 K CA 1.681 57.975 56.287 0.011 0.000 0.927 12 K CB -0.204 32.288 32.500 -0.013 0.000 0.713 12 K HN 0.299 nan 8.250 nan 0.000 0.443 13 I N 1.011 121.579 120.570 -0.003 0.000 2.286 13 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 13 I C 2.529 178.684 176.117 0.063 0.000 1.115 13 I CA 0.837 62.145 61.300 0.013 0.000 1.392 13 I CB -1.348 36.650 38.000 -0.003 0.000 1.065 13 I HN -0.027 nan 8.210 nan 0.000 0.418 14 V N 1.932 121.903 119.914 0.095 0.000 2.307 14 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 14 V C 2.488 178.687 176.094 0.175 0.000 1.045 14 V CA 2.228 64.640 62.300 0.187 0.000 1.024 14 V CB -1.037 30.865 31.823 0.132 0.000 0.651 14 V HN 0.408 nan 8.190 nan 0.000 0.449 15 N N 1.160 119.918 118.700 0.096 0.000 2.104 15 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 15 N C 1.424 176.958 175.510 0.040 0.000 1.024 15 N CA 1.753 54.845 53.050 0.071 0.000 0.853 15 N CB -0.285 38.231 38.487 0.048 0.000 1.008 15 N HN 0.438 nan 8.380 nan 0.000 0.424 16 N N -0.650 118.054 118.700 0.008 0.000 2.467 16 N HA 0.104 4.844 4.740 -0.000 0.000 0.184 16 N C 0.620 176.037 175.510 -0.154 0.000 1.106 16 N CA 0.717 53.736 53.050 -0.050 0.000 0.892 16 N CB 0.272 38.739 38.487 -0.033 0.000 0.969 16 N HN 0.379 nan 8.380 nan 0.000 0.454 17 A N -1.050 121.683 122.820 -0.145 0.000 2.026 17 A HA 0.320 4.640 4.320 -0.000 0.000 0.201 17 A C 1.042 178.247 177.584 -0.631 0.000 1.318 17 A CA 0.137 51.959 52.037 -0.359 0.000 0.857 17 A CB 0.087 18.942 19.000 -0.242 0.000 0.939 17 A HN 0.124 nan 8.150 nan 0.000 0.476 18 F N -1.561 118.296 119.950 -0.155 0.000 2.728 18 F HA 0.418 4.945 4.527 -0.000 0.000 0.314 18 F C 1.300 177.183 175.800 0.139 0.000 1.094 18 F CA 0.140 58.060 58.000 -0.133 0.000 1.217 18 F CB 0.602 39.595 39.000 -0.012 0.000 1.056 18 F HN 0.072 nan 8.300 nan 0.000 0.577 19 I N -0.870 119.851 120.570 0.251 0.000 3.674 19 I HA 0.074 4.244 4.170 -0.000 0.000 0.248 19 I C 1.121 177.382 176.117 0.240 0.000 1.134 19 I CA 0.501 61.954 61.300 0.255 0.000 1.519 19 I CB 0.090 38.156 38.000 0.110 0.000 1.598 19 I HN -0.314 nan 8.210 nan 0.000 0.442 20 D N 0.976 121.458 120.400 0.136 0.000 2.339 20 D HA 0.134 4.774 4.640 -0.000 0.000 0.217 20 D C 0.508 176.860 176.300 0.086 0.000 1.050 20 D CA 0.026 54.091 54.000 0.110 0.000 0.856 20 D CB 0.062 40.902 40.800 0.066 0.000 0.922 20 D HN -0.045 nan 8.370 nan 0.000 0.518 21 L N 2.190 123.448 121.223 0.058 0.000 2.667 21 L HA 0.092 4.432 4.340 -0.000 0.000 0.278 21 L C -2.361 174.558 176.870 0.082 0.000 1.217 21 L CA -0.666 54.158 54.840 -0.026 0.000 0.935 21 L CB 0.163 42.094 42.059 -0.213 0.000 1.193 21 L HN -0.209 nan 8.230 nan 0.000 0.493 22 P HA 0.254 nan 4.420 nan 0.000 0.274 22 P C -1.126 176.224 177.300 0.083 0.000 1.291 22 P CA 0.018 63.159 63.100 0.068 0.000 0.815 22 P CB 0.747 32.465 31.700 0.030 0.000 0.897 23 A N 5.947 128.865 122.820 0.163 0.000 2.337 23 A HA 0.762 5.082 4.320 -0.000 0.000 0.331 23 A C -2.651 175.008 177.584 0.126 0.000 1.137 23 A CA -2.305 49.837 52.037 0.174 0.000 0.807 23 A CB 0.498 19.714 19.000 0.360 0.000 1.250 23 A HN 0.248 nan 8.150 nan 0.000 0.468 24 P HA 0.094 nan 4.420 nan 0.000 0.271 24 P C 0.880 178.199 177.300 0.032 0.000 1.216 24 P CA 0.175 63.256 63.100 -0.032 0.000 0.776 24 P CB 0.928 32.530 31.700 -0.164 0.000 0.881 25 S N 1.328 117.021 115.700 -0.012 0.000 2.481 25 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 25 S C 1.037 175.614 174.600 -0.037 0.000 0.996 25 S CA 0.812 58.987 58.200 -0.042 0.000 0.942 25 S CB -0.825 62.315 63.200 -0.100 0.000 0.768 25 S HN 0.586 nan 8.310 nan 0.000 0.520 26 N N 1.570 120.220 118.700 -0.083 0.000 2.235 26 N HA 0.129 4.869 4.740 -0.000 0.000 0.231 26 N C 0.132 175.499 175.510 -0.238 0.000 1.177 26 N CA -0.507 52.470 53.050 -0.121 0.000 0.874 26 N CB -0.499 37.921 38.487 -0.112 0.000 1.097 26 N HN 0.672 nan 8.380 nan 0.000 0.518 27 I N -0.809 119.557 120.570 -0.338 0.000 2.598 27 I HA 0.206 4.376 4.170 -0.000 0.000 0.284 27 I C 0.592 176.578 176.117 -0.220 0.000 1.140 27 I CA -0.498 60.401 61.300 -0.668 0.000 1.420 27 I CB 0.548 37.871 38.000 -1.128 0.000 1.387 27 I HN -0.180 nan 8.210 nan 0.000 0.553 28 S N 3.794 119.450 115.700 -0.073 0.000 2.587 28 S HA 0.025 4.495 4.470 -0.000 0.000 0.260 28 S C 1.457 176.229 174.600 0.286 0.000 1.353 28 S CA -0.272 58.074 58.200 0.244 0.000 0.995 28 S CB 1.023 64.551 63.200 0.546 0.000 0.912 28 S HN 0.817 nan 8.310 nan 0.000 0.568 29 S N 0.655 116.424 115.700 0.115 0.000 2.462 29 S HA -0.150 4.320 4.470 -0.000 0.000 0.243 29 S C 1.225 175.783 174.600 -0.070 0.000 1.003 29 S CA 1.184 59.348 58.200 -0.059 0.000 0.970 29 S CB -0.328 62.740 63.200 -0.219 0.000 0.762 29 S HN 0.763 nan 8.310 nan 0.000 0.510 30 W N 0.279 121.793 121.300 0.357 0.000 2.525 30 W HA 0.046 4.706 4.660 -0.000 0.000 0.259 30 W C 1.686 178.373 176.519 0.280 0.000 1.253 30 W CA -0.266 57.330 57.345 0.417 0.000 1.262 30 W CB -0.226 29.430 29.460 0.327 0.000 1.122 30 W HN 0.371 nan 8.180 nan 0.000 0.607 31 W N 0.123 121.576 121.300 0.255 0.000 3.256 31 W HA -0.005 4.655 4.660 -0.000 0.000 0.269 31 W C 0.914 177.507 176.519 0.123 0.000 1.310 31 W CA 0.363 57.809 57.345 0.169 0.000 1.673 31 W CB -0.546 28.924 29.460 0.016 0.000 1.115 31 W HN -0.012 nan 8.180 nan 0.000 0.686 32 N N 0.076 118.849 118.700 0.122 0.000 2.396 32 N HA -0.112 4.628 4.740 -0.000 0.000 0.180 32 N C 1.233 176.673 175.510 -0.117 0.000 1.028 32 N CA 1.068 54.072 53.050 -0.076 0.000 0.893 32 N CB -0.527 37.789 38.487 -0.285 0.000 0.967 32 N HN -0.072 nan 8.380 nan 0.000 0.440 33 F N 0.170 120.236 119.950 0.193 0.000 2.365 33 F HA 0.067 4.594 4.527 -0.000 0.000 0.300 33 F C 2.400 178.240 175.800 0.067 0.000 1.090 33 F CA 0.707 58.802 58.000 0.159 0.000 1.408 33 F CB -0.841 38.305 39.000 0.243 0.000 1.060 33 F HN 0.054 nan 8.300 nan 0.000 0.534 34 G N -0.109 108.894 108.800 0.338 0.000 2.421 34 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 34 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 34 G C 1.830 176.785 174.900 0.092 0.000 1.171 34 G CA 1.205 46.424 45.100 0.198 0.000 0.775 34 G HN 0.445 nan 8.290 nan 0.000 0.543 35 S N 0.716 116.503 115.700 0.145 0.000 2.371 35 S HA 0.037 4.507 4.470 -0.000 0.000 0.224 35 S C 2.362 176.979 174.600 0.029 0.000 1.029 35 S CA 0.993 59.272 58.200 0.131 0.000 0.978 35 S CB -0.492 62.833 63.200 0.208 0.000 0.833 35 S HN 0.252 nan 8.310 nan 0.000 0.466 36 L N 0.788 122.010 121.223 -0.001 0.000 2.127 36 L HA -0.060 4.279 4.340 -0.000 0.000 0.211 36 L C 2.560 179.346 176.870 -0.140 0.000 1.089 36 L CA 0.962 55.773 54.840 -0.048 0.000 0.757 36 L CB -0.702 41.337 42.059 -0.034 0.000 0.899 36 L HN 0.301 nan 8.230 nan 0.000 0.434 37 L N -0.634 120.476 121.223 -0.189 0.000 2.027 37 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 37 L C 2.715 179.304 176.870 -0.468 0.000 1.074 37 L CA 1.494 56.072 54.840 -0.436 0.000 0.745 37 L CB -1.125 40.695 42.059 -0.398 0.000 0.898 37 L HN 0.283 nan 8.230 nan 0.000 0.433 38 G N 0.366 109.034 108.800 -0.220 0.000 2.440 38 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 38 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 38 G C 1.540 176.360 174.900 -0.134 0.000 1.154 38 G CA 0.827 45.850 45.100 -0.128 0.000 0.767 38 G HN 0.245 nan 8.290 nan 0.000 0.552 39 I N 0.570 121.070 120.570 -0.117 0.000 2.163 39 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 39 I C 2.900 178.917 176.117 -0.167 0.000 1.085 39 I CA 0.974 62.213 61.300 -0.102 0.000 1.347 39 I CB -1.099 36.862 38.000 -0.065 0.000 1.044 39 I HN 0.188 nan 8.210 nan 0.000 0.408 40 C N 0.624 119.740 119.300 -0.307 0.000 2.413 40 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 40 C C 2.871 177.613 174.990 -0.413 0.000 1.248 40 C CA 0.669 59.434 59.018 -0.421 0.000 1.742 40 C CB -1.068 26.204 27.740 -0.781 0.000 2.017 40 C HN 0.519 nan 8.230 nan 0.000 0.481 41 L N 0.464 121.379 121.223 -0.513 0.000 2.027 41 L HA -0.037 4.303 4.340 -0.000 0.000 0.206 41 L C 2.205 179.055 176.870 -0.033 0.000 1.074 41 L CA 1.920 56.664 54.840 -0.160 0.000 0.745 41 L CB -0.801 41.195 42.059 -0.105 0.000 0.898 41 L HN 0.176 nan 8.230 nan 0.000 0.433 42 I N -0.639 119.900 120.570 -0.051 0.000 2.226 42 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 42 I C 2.483 178.610 176.117 0.016 0.000 1.100 42 I CA 1.309 62.611 61.300 0.002 0.000 1.374 42 I CB -0.808 37.193 38.000 0.001 0.000 1.057 42 I HN 0.350 nan 8.210 nan 0.000 0.413 43 L N 0.532 121.749 121.223 -0.010 0.000 2.046 43 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 43 L C 2.584 179.492 176.870 0.062 0.000 1.077 43 L CA 1.641 56.488 54.840 0.012 0.000 0.747 43 L CB -0.458 41.595 42.059 -0.009 0.000 0.896 43 L HN 0.233 nan 8.230 nan 0.000 0.432 44 Q N -0.716 119.123 119.800 0.065 0.000 2.167 44 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 44 Q C 2.344 178.431 176.000 0.144 0.000 0.970 44 Q CA 1.620 57.489 55.803 0.109 0.000 0.855 44 Q CB -0.235 28.544 28.738 0.067 0.000 0.911 44 Q HN 0.546 nan 8.270 nan 0.000 0.438 45 I N 0.265 120.873 120.570 0.064 0.000 2.233 45 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 45 I C 2.145 178.324 176.117 0.103 0.000 1.093 45 I CA 0.858 62.180 61.300 0.035 0.000 1.380 45 I CB -0.094 37.945 38.000 0.065 0.000 1.067 45 I HN 0.096 nan 8.210 nan 0.000 0.413 46 L N -0.416 120.886 121.223 0.131 0.000 2.109 46 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 46 L C 2.632 179.625 176.870 0.205 0.000 1.086 46 L CA 1.709 56.665 54.840 0.192 0.000 0.760 46 L CB -1.213 40.908 42.059 0.104 0.000 0.910 46 L HN 0.409 nan 8.230 nan 0.000 0.437 47 T N -2.946 111.686 114.554 0.130 0.000 2.770 47 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 47 T C 2.047 176.750 174.700 0.004 0.000 1.039 47 T CA 0.818 62.981 62.100 0.105 0.000 1.142 47 T CB -1.016 67.958 68.868 0.178 0.000 0.868 47 T HN 0.326 nan 8.240 nan 0.000 0.435 48 G N 1.902 110.670 108.800 -0.054 0.000 2.529 48 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.219 48 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.219 48 G C 1.485 176.265 174.900 -0.199 0.000 1.177 48 G CA 1.252 46.163 45.100 -0.315 0.000 0.773 48 G HN 0.474 nan 8.290 nan 0.000 0.573 49 L N -0.705 120.483 121.223 -0.058 0.000 2.017 49 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 49 L C 2.605 179.495 176.870 0.034 0.000 1.073 49 L CA 1.543 56.368 54.840 -0.024 0.000 0.745 49 L CB -0.443 41.645 42.059 0.048 0.000 0.894 49 L HN 0.201 nan 8.230 nan 0.000 0.432 50 F N -1.036 118.920 119.950 0.011 0.000 2.333 50 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 50 F C 2.139 178.002 175.800 0.105 0.000 1.083 50 F CA 1.114 59.152 58.000 0.063 0.000 1.395 50 F CB -0.385 38.633 39.000 0.031 0.000 1.056 50 F HN 0.059 nan 8.300 nan 0.000 0.529 51 L N -1.030 120.287 121.223 0.157 0.000 2.095 51 L HA -0.059 4.281 4.340 -0.000 0.000 0.204 51 L C 2.568 179.529 176.870 0.153 0.000 1.080 51 L CA 0.952 55.836 54.840 0.072 0.000 0.759 51 L CB -0.639 41.328 42.059 -0.154 0.000 0.914 51 L HN 0.067 nan 8.230 nan 0.000 0.439 52 A N -0.707 122.195 122.820 0.137 0.000 2.121 52 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 52 A C 2.232 179.993 177.584 0.294 0.000 1.154 52 A CA 1.271 53.498 52.037 0.317 0.000 0.679 52 A CB -0.454 18.737 19.000 0.318 0.000 0.795 52 A HN 0.378 nan 8.150 nan 0.000 0.458 53 M N -1.375 118.316 119.600 0.152 0.000 2.229 53 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 53 M C 1.287 177.509 176.300 -0.130 0.000 1.063 53 M CA 1.163 56.439 55.300 -0.040 0.000 1.114 53 M CB -0.244 32.224 32.600 -0.220 0.000 1.387 53 M HN 0.540 nan 8.290 nan 0.000 0.420 54 H N -3.020 116.122 119.070 0.120 0.000 2.755 54 H HA 0.142 4.697 4.556 -0.000 0.000 0.273 54 H C -0.501 174.918 175.328 0.150 0.000 1.055 54 H CA -0.168 55.961 56.048 0.134 0.000 1.191 54 H CB 0.433 30.254 29.762 0.098 0.000 1.536 54 H HN 0.235 nan 8.280 nan 0.000 0.529 55 Y N 2.888 123.247 120.300 0.100 0.000 2.334 55 Y HA 0.269 4.819 4.550 -0.000 0.000 0.328 55 Y C -0.176 175.640 175.900 -0.140 0.000 1.130 55 Y CA -0.591 57.487 58.100 -0.037 0.000 1.163 55 Y CB 1.066 39.461 38.460 -0.109 0.000 1.207 55 Y HN -0.157 nan 8.280 nan 0.000 0.471 56 T N 3.062 117.016 114.554 -0.998 0.000 2.925 56 T HA 0.203 4.553 4.350 -0.000 0.000 0.285 56 T C 0.464 174.365 174.700 -1.332 0.000 1.021 56 T CA -0.794 60.782 62.100 -0.874 0.000 1.042 56 T CB 1.671 70.254 68.868 -0.476 0.000 1.037 56 T HN 0.661 nan 8.240 nan 0.000 0.481 57 S N 0.123 115.371 115.700 -0.753 0.000 2.535 57 S HA 0.084 4.554 4.470 -0.000 0.000 0.214 57 S C 0.422 174.795 174.600 -0.379 0.000 0.980 57 S CA -0.102 57.776 58.200 -0.538 0.000 0.907 57 S CB -0.056 63.000 63.200 -0.241 0.000 0.790 57 S HN 0.685 nan 8.310 nan 0.000 0.510 58 D N 0.994 121.177 120.400 -0.361 0.000 2.225 58 D HA 0.146 4.786 4.640 -0.000 0.000 0.249 58 D C 1.392 177.487 176.300 -0.342 0.000 1.052 58 D CA 0.191 54.009 54.000 -0.304 0.000 0.909 58 D CB 1.943 42.614 40.800 -0.215 0.000 1.186 58 D HN 0.254 nan 8.370 nan 0.000 0.431 59 T N 0.236 114.560 114.554 -0.383 0.000 2.649 59 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 59 T C 1.680 176.297 174.700 -0.138 0.000 1.036 59 T CA 2.112 63.993 62.100 -0.364 0.000 1.157 59 T CB -0.795 67.933 68.868 -0.232 0.000 0.861 59 T HN 0.481 nan 8.240 nan 0.000 0.445 60 T N 0.542 115.026 114.554 -0.116 0.000 2.849 60 T HA -0.052 4.298 4.350 -0.000 0.000 0.270 60 T C 1.976 176.644 174.700 -0.053 0.000 1.066 60 T CA 1.764 63.824 62.100 -0.067 0.000 1.130 60 T CB -0.478 68.346 68.868 -0.075 0.000 0.864 60 T HN 0.676 nan 8.240 nan 0.000 0.481 61 T N -0.916 113.581 114.554 -0.097 0.000 3.009 61 T HA 0.539 4.889 4.350 -0.000 0.000 0.267 61 T C 1.967 176.593 174.700 -0.124 0.000 0.942 61 T CA 0.640 62.681 62.100 -0.098 0.000 0.883 61 T CB -0.296 68.488 68.868 -0.140 0.000 1.192 61 T HN 0.230 nan 8.240 nan 0.000 0.524 62 A N 1.271 123.995 122.820 -0.160 0.000 1.859 62 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 62 A C 1.815 179.458 177.584 0.097 0.000 1.209 62 A CA 1.975 53.921 52.037 -0.150 0.000 0.639 62 A CB -1.355 17.573 19.000 -0.121 0.000 0.835 62 A HN 0.593 nan 8.150 nan 0.000 0.450 63 F N 1.459 121.442 119.950 0.055 0.000 2.134 63 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 63 F C 2.661 178.488 175.800 0.046 0.000 1.097 63 F CA 2.000 60.047 58.000 0.078 0.000 1.264 63 F CB -0.075 38.978 39.000 0.089 0.000 1.001 63 F HN 0.253 nan 8.300 nan 0.000 0.479 64 S N -0.460 115.368 115.700 0.213 0.000 2.371 64 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 64 S C 2.226 176.868 174.600 0.070 0.000 1.029 64 S CA 1.107 59.386 58.200 0.132 0.000 0.978 64 S CB -0.908 62.352 63.200 0.101 0.000 0.833 64 S HN 0.568 nan 8.310 nan 0.000 0.466 65 S N 2.181 117.904 115.700 0.037 0.000 2.368 65 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 65 S C 1.910 176.589 174.600 0.131 0.000 1.030 65 S CA 1.177 59.435 58.200 0.097 0.000 0.999 65 S CB -0.994 62.187 63.200 -0.032 0.000 0.844 65 S HN 0.290 nan 8.310 nan 0.000 0.459 66 V N 2.246 122.197 119.914 0.061 0.000 2.287 66 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 66 V C 2.928 178.951 176.094 -0.118 0.000 1.053 66 V CA 2.395 64.670 62.300 -0.042 0.000 1.027 66 V CB -1.618 30.102 31.823 -0.171 0.000 0.646 66 V HN 0.617 nan 8.190 nan 0.000 0.447 67 T N -1.113 113.362 114.554 -0.131 0.000 2.737 67 T HA -0.231 4.119 4.350 -0.000 0.000 0.265 67 T C 1.837 176.546 174.700 0.016 0.000 1.038 67 T CA 1.722 63.780 62.100 -0.070 0.000 1.144 67 T CB -0.491 68.363 68.868 -0.022 0.000 0.866 67 T HN 0.701 nan 8.240 nan 0.000 0.434 68 H N 0.880 119.933 119.070 -0.027 0.000 2.357 68 H HA -0.119 4.437 4.556 -0.000 0.000 0.296 68 H C 2.246 177.556 175.328 -0.030 0.000 1.108 68 H CA 1.726 57.768 56.048 -0.010 0.000 1.273 68 H CB -0.384 29.380 29.762 0.003 0.000 1.367 68 H HN 0.328 nan 8.280 nan 0.000 0.498 69 I N 0.485 120.889 120.570 -0.277 0.000 2.099 69 I HA -0.378 3.792 4.170 -0.000 0.000 0.239 69 I C 3.067 179.051 176.117 -0.221 0.000 1.066 69 I CA 1.577 62.672 61.300 -0.342 0.000 1.324 69 I CB -0.370 37.510 38.000 -0.201 0.000 1.037 69 I HN 0.397 nan 8.210 nan 0.000 0.401 70 C N 0.164 119.390 119.300 -0.122 0.000 2.432 70 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 70 C C 2.865 177.883 174.990 0.047 0.000 1.249 70 C CA 0.752 59.758 59.018 -0.021 0.000 1.725 70 C CB -1.306 26.417 27.740 -0.028 0.000 2.028 70 C HN 0.413 nan 8.230 nan 0.000 0.477 71 R N 0.568 121.070 120.500 0.004 0.000 2.057 71 R HA -0.036 4.304 4.340 -0.000 0.000 0.224 71 R C 1.739 178.041 176.300 0.004 0.000 1.136 71 R CA 1.260 57.372 56.100 0.019 0.000 0.968 71 R CB -0.282 30.040 30.300 0.036 0.000 0.863 71 R HN 0.533 nan 8.270 nan 0.000 0.433 72 D N 0.094 120.475 120.400 -0.032 0.000 2.259 72 D HA 0.014 4.654 4.640 -0.000 0.000 0.216 72 D C 0.343 176.586 176.300 -0.094 0.000 0.961 72 D CA 0.530 54.515 54.000 -0.025 0.000 0.878 72 D CB 0.226 41.083 40.800 0.096 0.000 1.009 72 D HN -0.103 nan 8.370 nan 0.000 0.490 73 V N 2.940 122.711 119.914 -0.239 0.000 2.521 73 V HA -0.002 4.118 4.120 -0.000 0.000 0.286 73 V C -0.072 175.933 176.094 -0.149 0.000 1.034 73 V CA -0.428 61.714 62.300 -0.263 0.000 1.045 73 V CB 0.204 31.686 31.823 -0.567 0.000 0.974 73 V HN 0.097 nan 8.190 nan 0.000 0.480 74 N N 5.514 124.166 118.700 -0.080 0.000 2.414 74 N HA 0.147 4.887 4.740 -0.000 0.000 0.268 74 N C -0.175 175.331 175.510 -0.007 0.000 1.286 74 N CA -0.146 52.858 53.050 -0.077 0.000 0.896 74 N CB -0.333 38.170 38.487 0.027 0.000 1.093 74 N HN 0.726 nan 8.380 nan 0.000 0.480 75 Y N -1.111 119.098 120.300 -0.151 0.000 4.604 75 Y HA -0.275 4.275 4.550 -0.000 0.000 0.230 75 Y C 1.824 177.391 175.900 -0.556 0.000 1.066 75 Y CA 0.609 58.432 58.100 -0.463 0.000 1.990 75 Y CB -1.873 36.367 38.460 -0.367 0.000 1.619 75 Y HN 0.763 nan 8.280 nan 0.000 0.649 76 G N 0.492 109.142 108.800 -0.250 0.000 2.432 76 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 76 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 76 G C 1.368 176.122 174.900 -0.244 0.000 1.135 76 G CA 0.850 45.803 45.100 -0.246 0.000 0.767 76 G HN 0.799 nan 8.290 nan 0.000 0.550 77 W N 1.498 122.692 121.300 -0.177 0.000 2.342 77 W HA -0.074 4.586 4.660 -0.000 0.000 0.297 77 W C 1.915 178.295 176.519 -0.230 0.000 1.213 77 W CA 0.964 58.151 57.345 -0.264 0.000 1.251 77 W CB -1.013 28.378 29.460 -0.116 0.000 1.136 77 W HN 0.288 nan 8.180 nan 0.000 0.526 78 I N 0.830 120.955 120.570 -0.740 0.000 2.202 78 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 78 I C 2.641 178.622 176.117 -0.226 0.000 1.091 78 I CA 1.441 62.433 61.300 -0.514 0.000 1.368 78 I CB -0.937 36.593 38.000 -0.783 0.000 1.058 78 I HN -0.166 nan 8.210 nan 0.000 0.410 79 I N 0.639 121.051 120.570 -0.265 0.000 2.163 79 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 79 I C 2.875 178.950 176.117 -0.071 0.000 1.085 79 I CA 1.339 62.550 61.300 -0.148 0.000 1.347 79 I CB -0.466 37.447 38.000 -0.145 0.000 1.044 79 I HN 0.192 nan 8.210 nan 0.000 0.408 80 R N 0.332 120.739 120.500 -0.154 0.000 2.083 80 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 80 R C 2.318 178.617 176.300 -0.002 0.000 1.137 80 R CA 2.080 58.085 56.100 -0.158 0.000 0.951 80 R CB -0.498 29.588 30.300 -0.357 0.000 0.851 80 R HN 0.324 nan 8.270 nan 0.000 0.434 81 Y N -0.276 120.118 120.300 0.157 0.000 2.337 81 Y HA 0.008 4.558 4.550 -0.000 0.000 0.293 81 Y C 2.377 178.372 175.900 0.159 0.000 1.123 81 Y CA 0.608 58.819 58.100 0.185 0.000 1.201 81 Y CB -0.583 38.012 38.460 0.225 0.000 1.011 81 Y HN 0.001 nan 8.280 nan 0.000 0.545 82 M N -1.022 118.723 119.600 0.241 0.000 2.080 82 M HA -0.265 4.215 4.480 -0.000 0.000 0.260 82 M C 2.134 178.548 176.300 0.189 0.000 1.068 82 M CA 1.906 57.306 55.300 0.166 0.000 1.109 82 M CB -0.330 32.316 32.600 0.076 0.000 1.342 82 M HN 0.279 nan 8.290 nan 0.000 0.405 83 H N -0.420 118.711 119.070 0.101 0.000 2.256 83 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 83 H C 1.888 177.312 175.328 0.160 0.000 1.071 83 H CA 2.459 58.572 56.048 0.107 0.000 1.280 83 H CB -0.360 29.447 29.762 0.074 0.000 1.370 83 H HN 0.384 nan 8.280 nan 0.000 0.490 84 A N 0.575 123.558 122.820 0.270 0.000 1.917 84 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 84 A C 2.228 179.949 177.584 0.228 0.000 1.182 84 A CA 2.132 54.329 52.037 0.266 0.000 0.633 84 A CB -0.513 18.715 19.000 0.380 0.000 0.819 84 A HN 0.586 nan 8.150 nan 0.000 0.448 85 N N -0.420 118.424 118.700 0.240 0.000 2.300 85 N HA -0.061 4.678 4.740 -0.000 0.000 0.179 85 N C 1.866 177.494 175.510 0.197 0.000 1.016 85 N CA 1.167 54.355 53.050 0.230 0.000 0.876 85 N CB -0.589 38.033 38.487 0.226 0.000 0.979 85 N HN 0.484 nan 8.380 nan 0.000 0.432 86 G N 1.058 109.944 108.800 0.142 0.000 2.422 86 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 86 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 86 G C 1.689 176.662 174.900 0.122 0.000 1.146 86 G CA 1.064 46.231 45.100 0.112 0.000 0.769 86 G HN 0.393 nan 8.290 nan 0.000 0.547 87 A N 1.363 124.209 122.820 0.043 0.000 1.892 87 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 87 A C 2.765 180.343 177.584 -0.010 0.000 1.188 87 A CA 2.973 54.995 52.037 -0.025 0.000 0.631 87 A CB -0.788 18.167 19.000 -0.074 0.000 0.822 87 A HN 0.776 nan 8.150 nan 0.000 0.447 88 S N -1.608 114.147 115.700 0.091 0.000 2.425 88 S HA -0.020 4.450 4.470 -0.000 0.000 0.225 88 S C 1.914 176.782 174.600 0.446 0.000 1.024 88 S CA 1.184 59.501 58.200 0.196 0.000 0.951 88 S CB -0.344 63.162 63.200 0.509 0.000 0.796 88 S HN 0.318 nan 8.310 nan 0.000 0.498 89 M N 0.919 120.729 119.600 0.350 0.000 2.108 89 M HA 0.024 4.504 4.480 -0.000 0.000 0.261 89 M C 1.899 178.352 176.300 0.255 0.000 1.066 89 M CA 1.223 56.700 55.300 0.296 0.000 1.107 89 M CB -1.424 31.298 32.600 0.203 0.000 1.356 89 M HN 0.402 nan 8.290 nan 0.000 0.406 90 F N 0.241 120.189 119.950 -0.004 0.000 2.161 90 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 90 F C 1.984 177.569 175.800 -0.357 0.000 1.089 90 F CA 1.288 59.180 58.000 -0.180 0.000 1.282 90 F CB -0.602 38.242 39.000 -0.259 0.000 1.010 90 F HN -0.020 nan 8.300 nan 0.000 0.485 91 F N -0.133 119.747 119.950 -0.117 0.000 2.206 91 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 91 F C 2.422 178.126 175.800 -0.160 0.000 1.090 91 F CA 1.434 59.184 58.000 -0.418 0.000 1.323 91 F CB -0.852 37.645 39.000 -0.839 0.000 1.028 91 F HN 0.037 nan 8.300 nan 0.000 0.492 92 I N -1.284 119.557 120.570 0.451 0.000 2.286 92 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 92 I C 2.020 178.227 176.117 0.150 0.000 1.115 92 I CA 1.671 63.233 61.300 0.435 0.000 1.392 92 I CB -0.617 37.610 38.000 0.378 0.000 1.065 92 I HN 0.100 nan 8.210 nan 0.000 0.418 93 C N 0.864 120.228 119.300 0.107 0.000 2.446 93 C HA -0.017 4.443 4.460 -0.000 0.000 0.277 93 C C 2.678 177.645 174.990 -0.039 0.000 1.275 93 C CA 0.564 59.625 59.018 0.071 0.000 1.727 93 C CB -1.244 26.592 27.740 0.160 0.000 2.010 93 C HN 0.593 nan 8.230 nan 0.000 0.486 94 L N -0.301 120.839 121.223 -0.139 0.000 2.042 94 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 94 L C 2.600 179.433 176.870 -0.061 0.000 1.076 94 L CA 1.791 56.499 54.840 -0.220 0.000 0.749 94 L CB -0.617 41.099 42.059 -0.571 0.000 0.893 94 L HN 0.336 nan 8.230 nan 0.000 0.432 95 Y N -1.553 118.789 120.300 0.071 0.000 2.220 95 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 95 Y C 2.559 178.467 175.900 0.014 0.000 1.129 95 Y CA 0.569 58.711 58.100 0.069 0.000 1.161 95 Y CB -0.631 37.916 38.460 0.145 0.000 0.997 95 Y HN 0.084 nan 8.280 nan 0.000 0.522 96 M N -0.706 118.920 119.600 0.044 0.000 2.080 96 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 96 M C 2.137 178.444 176.300 0.011 0.000 1.068 96 M CA 1.885 57.091 55.300 -0.155 0.000 1.109 96 M CB -1.647 30.281 32.600 -1.120 0.000 1.342 96 M HN 0.360 nan 8.290 nan 0.000 0.405 97 H N 0.095 119.132 119.070 -0.055 0.000 2.321 97 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 97 H C 1.973 177.369 175.328 0.114 0.000 1.087 97 H CA 1.939 58.036 56.048 0.081 0.000 1.319 97 H CB 0.113 29.935 29.762 0.099 0.000 1.379 97 H HN 0.080 nan 8.280 nan 0.000 0.501 98 V N -0.097 119.961 119.914 0.239 0.000 2.343 98 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 98 V C 2.707 178.949 176.094 0.247 0.000 1.051 98 V CA 1.763 64.193 62.300 0.216 0.000 1.036 98 V CB -1.193 30.738 31.823 0.180 0.000 0.654 98 V HN 0.715 nan 8.190 nan 0.000 0.451 99 G N 0.013 108.921 108.800 0.180 0.000 2.446 99 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 99 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 99 G C 1.731 176.694 174.900 0.105 0.000 1.168 99 G CA 0.900 46.109 45.100 0.181 0.000 0.771 99 G HN 0.329 nan 8.290 nan 0.000 0.551 100 R N 1.175 121.669 120.500 -0.010 0.000 2.091 100 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 100 R C 2.711 179.010 176.300 -0.001 0.000 1.136 100 R CA 1.904 57.955 56.100 -0.081 0.000 0.959 100 R CB -1.229 29.017 30.300 -0.090 0.000 0.856 100 R HN 0.311 nan 8.270 nan 0.000 0.437 101 G N 1.119 109.963 108.800 0.073 0.000 2.440 101 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 101 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 101 G C 1.715 176.728 174.900 0.189 0.000 1.154 101 G CA 0.772 45.988 45.100 0.193 0.000 0.767 101 G HN 0.309 nan 8.290 nan 0.000 0.552 102 L N -1.340 120.030 121.223 0.244 0.000 2.005 102 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 102 L C 2.548 179.406 176.870 -0.020 0.000 1.072 102 L CA 1.189 56.155 54.840 0.210 0.000 0.744 102 L CB -0.622 41.584 42.059 0.245 0.000 0.895 102 L HN 0.221 nan 8.230 nan 0.000 0.433 103 Y N -0.363 119.639 120.300 -0.497 0.000 2.128 103 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 103 Y C 1.971 177.434 175.900 -0.729 0.000 1.154 103 Y CA 1.716 59.207 58.100 -1.015 0.000 1.149 103 Y CB -0.102 37.390 38.460 -1.612 0.000 0.976 103 Y HN 0.074 nan 8.280 nan 0.000 0.505 104 Y N -0.433 119.787 120.300 -0.133 0.000 2.457 104 Y HA 0.281 4.831 4.550 -0.000 0.000 0.263 104 Y C 1.762 177.499 175.900 -0.271 0.000 1.164 104 Y CA 0.169 58.209 58.100 -0.100 0.000 1.274 104 Y CB 0.164 38.683 38.460 0.099 0.000 1.097 104 Y HN 0.214 nan 8.280 nan 0.000 0.523 105 G N -0.571 108.014 108.800 -0.359 0.000 2.153 105 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.252 105 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.252 105 G C 1.348 175.586 174.900 -1.103 0.000 0.994 105 G CA 0.703 45.224 45.100 -0.966 0.000 0.698 105 G HN 0.366 nan 8.290 nan 0.000 0.521 106 S N -0.324 114.994 115.700 -0.637 0.000 2.400 106 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 106 S C 1.997 176.248 174.600 -0.583 0.000 1.025 106 S CA 2.004 59.900 58.200 -0.507 0.000 0.993 106 S CB -0.488 62.632 63.200 -0.134 0.000 0.808 106 S HN 1.042 nan 8.310 nan 0.000 0.478 107 Y N 2.579 122.546 120.300 -0.554 0.000 2.348 107 Y HA -0.188 4.362 4.550 -0.000 0.000 0.285 107 Y C 2.321 177.869 175.900 -0.586 0.000 1.173 107 Y CA 1.074 58.618 58.100 -0.926 0.000 1.263 107 Y CB -2.273 35.073 38.460 -1.857 0.000 0.974 107 Y HN 0.313 nan 8.280 nan 0.000 0.547 108 T N -2.779 111.393 114.554 -0.638 0.000 2.929 108 T HA -0.173 4.177 4.350 -0.000 0.000 0.271 108 T C 0.333 174.938 174.700 -0.159 0.000 1.085 108 T CA 0.287 62.134 62.100 -0.423 0.000 1.125 108 T CB -0.940 67.561 68.868 -0.612 0.000 0.874 108 T HN 0.160 nan 8.240 nan 0.000 0.494 109 F N 1.972 121.856 119.950 -0.110 0.000 2.556 109 F HA 0.380 4.907 4.527 -0.000 0.000 0.344 109 F C 1.170 176.975 175.800 0.008 0.000 1.255 109 F CA -2.162 55.816 58.000 -0.037 0.000 1.091 109 F CB -0.732 38.270 39.000 0.003 0.000 1.325 109 F HN -0.021 nan 8.300 nan 0.000 0.627 110 L N 1.950 123.260 121.223 0.145 0.000 1.970 110 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 110 L C 2.081 178.986 176.870 0.058 0.000 1.071 110 L CA 1.926 56.824 54.840 0.096 0.000 0.751 110 L CB -0.575 41.500 42.059 0.026 0.000 0.889 110 L HN 0.421 nan 8.230 nan 0.000 0.432 111 E N -1.436 118.663 120.200 -0.169 0.000 2.031 111 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 111 E C 2.155 178.577 176.600 -0.296 0.000 0.994 111 E CA 1.755 57.849 56.400 -0.510 0.000 0.800 111 E CB -0.846 27.982 29.700 -1.454 0.000 0.752 111 E HN 0.532 nan 8.360 nan 0.000 0.447 112 T N -0.141 114.330 114.554 -0.138 0.000 2.833 112 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 112 T C 1.511 176.329 174.700 0.196 0.000 1.054 112 T CA 1.262 63.382 62.100 0.034 0.000 1.135 112 T CB -0.333 68.515 68.868 -0.032 0.000 0.869 112 T HN 0.494 nan 8.240 nan 0.000 0.466 113 W N 1.818 123.175 121.300 0.095 0.000 2.441 113 W HA -0.034 4.626 4.660 -0.000 0.000 0.302 113 W C 1.762 178.368 176.519 0.145 0.000 1.191 113 W CA 1.139 58.580 57.345 0.160 0.000 1.327 113 W CB -0.668 28.885 29.460 0.155 0.000 1.128 113 W HN 0.406 nan 8.180 nan 0.000 0.522 114 N N 0.588 119.409 118.700 0.202 0.000 2.205 114 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 114 N C 1.687 177.207 175.510 0.016 0.000 1.015 114 N CA 1.711 54.793 53.050 0.053 0.000 0.862 114 N CB -0.250 38.288 38.487 0.086 0.000 0.986 114 N HN -0.035 nan 8.380 nan 0.000 0.429 115 I N 0.917 121.547 120.570 0.100 0.000 2.226 115 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 115 I C 2.589 178.761 176.117 0.092 0.000 1.100 115 I CA 1.165 62.561 61.300 0.161 0.000 1.374 115 I CB -1.801 36.396 38.000 0.329 0.000 1.057 115 I HN 0.167 nan 8.210 nan 0.000 0.413 116 G N 0.484 109.360 108.800 0.127 0.000 2.442 116 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.219 116 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.219 116 G C 1.872 176.647 174.900 -0.209 0.000 1.141 116 G CA 0.916 45.966 45.100 -0.084 0.000 0.763 116 G HN 0.287 nan 8.290 nan 0.000 0.554 117 V N 0.824 120.579 119.914 -0.265 0.000 2.307 117 V HA -0.105 4.015 4.120 -0.000 0.000 0.245 117 V C 2.727 178.757 176.094 -0.106 0.000 1.045 117 V CA 1.422 63.587 62.300 -0.224 0.000 1.024 117 V CB -0.307 31.386 31.823 -0.217 0.000 0.651 117 V HN 0.384 nan 8.190 nan 0.000 0.449 118 I N -0.590 119.937 120.570 -0.072 0.000 2.361 118 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 118 I C 2.249 178.333 176.117 -0.055 0.000 1.133 118 I CA 1.397 62.675 61.300 -0.037 0.000 1.413 118 I CB -0.141 37.857 38.000 -0.003 0.000 1.073 118 I HN 0.275 nan 8.210 nan 0.000 0.424 119 L N -0.235 120.931 121.223 -0.094 0.000 2.017 119 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 119 L C 2.475 179.256 176.870 -0.147 0.000 1.073 119 L CA 1.270 56.031 54.840 -0.133 0.000 0.745 119 L CB -0.519 41.410 42.059 -0.217 0.000 0.894 119 L HN 0.299 nan 8.230 nan 0.000 0.432 120 L N -0.304 120.834 121.223 -0.140 0.000 1.970 120 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 120 L C 2.610 179.453 176.870 -0.044 0.000 1.071 120 L CA 1.762 56.529 54.840 -0.123 0.000 0.751 120 L CB -0.271 41.752 42.059 -0.060 0.000 0.889 120 L HN 0.253 nan 8.230 nan 0.000 0.432 121 L N -0.660 120.563 121.223 0.000 0.000 2.043 121 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 121 L C 2.486 179.373 176.870 0.029 0.000 1.075 121 L CA 2.082 56.947 54.840 0.041 0.000 0.752 121 L CB -0.901 41.172 42.059 0.023 0.000 0.891 121 L HN 0.311 nan 8.230 nan 0.000 0.432 122 T N -1.117 113.424 114.554 -0.021 0.000 2.777 122 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 122 T C 1.933 176.591 174.700 -0.071 0.000 1.040 122 T CA 1.294 63.374 62.100 -0.033 0.000 1.141 122 T CB -0.149 68.693 68.868 -0.043 0.000 0.868 122 T HN 0.079 nan 8.240 nan 0.000 0.444 123 V N 2.728 122.540 119.914 -0.169 0.000 2.548 123 V HA -0.118 4.002 4.120 -0.000 0.000 0.249 123 V C 2.493 178.515 176.094 -0.120 0.000 1.055 123 V CA 1.659 63.749 62.300 -0.351 0.000 1.065 123 V CB -0.734 30.622 31.823 -0.779 0.000 0.681 123 V HN 0.609 nan 8.190 nan 0.000 0.462 124 M N 0.646 120.307 119.600 0.101 0.000 2.193 124 M HA 0.043 4.523 4.480 -0.000 0.000 0.265 124 M C 2.173 178.744 176.300 0.453 0.000 1.071 124 M CA 2.143 57.705 55.300 0.436 0.000 1.140 124 M CB -0.590 32.375 32.600 0.608 0.000 1.369 124 M HN 0.152 nan 8.290 nan 0.000 0.423 125 A N 1.215 124.192 122.820 0.262 0.000 1.948 125 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 125 A C 2.152 179.865 177.584 0.214 0.000 1.177 125 A CA 2.477 54.657 52.037 0.238 0.000 0.636 125 A CB -1.410 17.651 19.000 0.101 0.000 0.815 125 A HN 0.674 nan 8.150 nan 0.000 0.449 126 T N 0.127 114.763 114.554 0.136 0.000 2.643 126 T HA -0.001 4.349 4.350 -0.000 0.000 0.264 126 T C 2.283 177.140 174.700 0.261 0.000 1.045 126 T CA 1.735 63.918 62.100 0.138 0.000 1.155 126 T CB -0.516 68.329 68.868 -0.039 0.000 0.863 126 T HN 0.613 nan 8.240 nan 0.000 0.420 127 A N 1.162 124.110 122.820 0.212 0.000 1.933 127 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 127 A C 2.034 179.802 177.584 0.307 0.000 1.175 127 A CA 1.462 53.613 52.037 0.191 0.000 0.628 127 A CB -0.948 18.037 19.000 -0.026 0.000 0.814 127 A HN 0.531 nan 8.150 nan 0.000 0.444 128 F N 0.018 120.156 119.950 0.313 0.000 2.102 128 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 128 F C 2.073 177.972 175.800 0.164 0.000 1.105 128 F CA 2.127 60.320 58.000 0.322 0.000 1.239 128 F CB -0.385 38.753 39.000 0.230 0.000 0.991 128 F HN 0.168 nan 8.300 nan 0.000 0.474 129 M N 0.392 119.747 119.600 -0.408 0.000 2.296 129 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 129 M C 2.342 178.471 176.300 -0.284 0.000 1.064 129 M CA 1.505 56.444 55.300 -0.602 0.000 1.109 129 M CB -0.823 31.462 32.600 -0.526 0.000 1.396 129 M HN 0.378 nan 8.290 nan 0.000 0.430 130 G N -1.076 107.531 108.800 -0.322 0.000 2.434 130 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.214 130 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.214 130 G C 1.219 176.042 174.900 -0.129 0.000 1.202 130 G CA 0.481 45.201 45.100 -0.634 0.000 0.788 130 G HN 0.409 nan 8.290 nan 0.000 0.539 131 Y N 1.375 121.647 120.300 -0.046 0.000 2.384 131 Y HA -0.107 4.443 4.550 -0.000 0.000 0.289 131 Y C 2.801 178.754 175.900 0.089 0.000 1.152 131 Y CA 0.863 58.994 58.100 0.052 0.000 1.258 131 Y CB -0.043 38.483 38.460 0.110 0.000 0.979 131 Y HN 0.045 nan 8.280 nan 0.000 0.549 132 V N -0.211 119.778 119.914 0.124 0.000 2.548 132 V HA -0.299 3.820 4.120 -0.000 0.000 0.249 132 V C 2.354 178.595 176.094 0.246 0.000 1.055 132 V CA 1.574 63.986 62.300 0.186 0.000 1.065 132 V CB -0.731 31.283 31.823 0.317 0.000 0.681 132 V HN 0.379 nan 8.190 nan 0.000 0.462 133 L N 0.100 121.399 121.223 0.126 0.000 2.042 133 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 133 L C 0.089 177.058 176.870 0.165 0.000 1.076 133 L CA 1.697 56.599 54.840 0.104 0.000 0.749 133 L CB -2.192 39.790 42.059 -0.128 0.000 0.893 133 L HN 0.357 nan 8.230 nan 0.000 0.432 134 P HA -0.243 nan 4.420 nan 0.000 0.220 134 P C 0.366 177.871 177.300 0.342 0.000 1.144 134 P CA 1.084 64.230 63.100 0.076 0.000 0.800 134 P CB -0.095 31.538 31.700 -0.112 0.000 0.772 135 W N -0.929 120.425 121.300 0.090 0.000 5.121 135 W HA -0.162 4.498 4.660 -0.000 0.000 0.372 135 W C 0.350 177.001 176.519 0.219 0.000 1.394 135 W CA -0.106 57.325 57.345 0.142 0.000 0.885 135 W CB -1.419 28.122 29.460 0.134 0.000 2.520 135 W HN -0.064 nan 8.180 nan 0.000 1.455 136 G N 0.611 109.549 108.800 0.229 0.000 2.621 136 G HA2 0.100 4.060 3.960 -0.000 0.000 0.271 136 G HA3 0.100 4.060 3.960 -0.000 0.000 0.271 136 G C 0.624 175.501 174.900 -0.038 0.000 1.236 136 G CA 0.101 45.296 45.100 0.158 0.000 0.958 136 G HN 0.278 nan 8.290 nan 0.000 0.512 137 Q N -1.121 118.691 119.800 0.021 0.000 2.084 137 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 137 Q C 2.525 178.638 176.000 0.188 0.000 0.978 137 Q CA 1.129 56.987 55.803 0.092 0.000 0.844 137 Q CB -0.187 28.617 28.738 0.109 0.000 0.898 137 Q HN 0.448 nan 8.270 nan 0.000 0.426 138 M N 0.136 119.825 119.600 0.147 0.000 2.254 138 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 138 M C 2.051 178.445 176.300 0.155 0.000 1.066 138 M CA 1.126 56.549 55.300 0.205 0.000 1.123 138 M CB -0.457 32.336 32.600 0.322 0.000 1.388 138 M HN -0.030 nan 8.290 nan 0.000 0.425 139 S N -0.118 115.554 115.700 -0.046 0.000 2.353 139 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 139 S C 1.788 176.340 174.600 -0.080 0.000 1.035 139 S CA 1.574 59.718 58.200 -0.093 0.000 1.025 139 S CB -0.636 62.499 63.200 -0.107 0.000 0.902 139 S HN 0.556 nan 8.310 nan 0.000 0.440 140 F N 0.521 120.217 119.950 -0.424 0.000 2.060 140 F HA -0.051 4.476 4.527 -0.000 0.000 0.295 140 F C 1.887 177.412 175.800 -0.459 0.000 1.120 140 F CA 1.336 58.905 58.000 -0.719 0.000 1.205 140 F CB -0.370 37.938 39.000 -1.153 0.000 0.986 140 F HN 0.206 nan 8.300 nan 0.000 0.470 141 W N 0.363 121.701 121.300 0.064 0.000 2.436 141 W HA 0.068 4.728 4.660 -0.000 0.000 0.284 141 W C 2.591 179.116 176.519 0.011 0.000 1.225 141 W CA 1.069 58.445 57.345 0.051 0.000 1.271 141 W CB -1.064 28.451 29.460 0.091 0.000 1.114 141 W HN 0.135 nan 8.180 nan 0.000 0.559 142 G N 0.329 109.259 108.800 0.216 0.000 2.418 142 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 142 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 142 G C 1.678 176.705 174.900 0.211 0.000 1.158 142 G CA 1.320 46.532 45.100 0.187 0.000 0.771 142 G HN 0.274 nan 8.290 nan 0.000 0.545 143 A N 0.363 123.269 122.820 0.142 0.000 1.908 143 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 143 A C 2.538 180.182 177.584 0.099 0.000 1.181 143 A CA 2.512 54.648 52.037 0.165 0.000 0.627 143 A CB -0.921 18.036 19.000 -0.071 0.000 0.818 143 A HN 0.312 nan 8.150 nan 0.000 0.445 144 T N -0.651 113.821 114.554 -0.137 0.000 2.777 144 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 144 T C 1.854 176.651 174.700 0.161 0.000 1.040 144 T CA 1.429 63.475 62.100 -0.092 0.000 1.141 144 T CB -0.414 68.263 68.868 -0.319 0.000 0.868 144 T HN 0.127 nan 8.240 nan 0.000 0.444 145 V N 1.559 121.587 119.914 0.191 0.000 2.343 145 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 145 V C 2.398 178.586 176.094 0.157 0.000 1.051 145 V CA 1.194 63.617 62.300 0.205 0.000 1.036 145 V CB -0.469 31.490 31.823 0.227 0.000 0.654 145 V HN 0.401 nan 8.190 nan 0.000 0.451 146 I N 0.716 121.368 120.570 0.136 0.000 2.277 146 I HA -0.138 4.032 4.170 -0.000 0.000 0.243 146 I C 2.804 178.947 176.117 0.042 0.000 1.094 146 I CA 2.188 63.496 61.300 0.014 0.000 1.393 146 I CB -1.898 36.004 38.000 -0.163 0.000 1.078 146 I HN 0.492 nan 8.210 nan 0.000 0.417 147 T N -0.693 113.980 114.554 0.198 0.000 2.746 147 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 147 T C 1.781 176.502 174.700 0.034 0.000 1.039 147 T CA 1.362 63.562 62.100 0.167 0.000 1.142 147 T CB -0.673 68.420 68.868 0.375 0.000 0.866 147 T HN 0.215 nan 8.240 nan 0.000 0.444 148 N N 1.316 120.116 118.700 0.168 0.000 2.272 148 N HA -0.020 4.720 4.740 -0.000 0.000 0.185 148 N C 1.846 177.377 175.510 0.036 0.000 1.014 148 N CA 0.946 54.081 53.050 0.141 0.000 0.870 148 N CB -0.371 38.264 38.487 0.246 0.000 0.975 148 N HN 0.477 nan 8.380 nan 0.000 0.433 149 L N 0.633 121.866 121.223 0.017 0.000 2.079 149 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 149 L C 2.060 178.904 176.870 -0.044 0.000 1.081 149 L CA 0.793 55.623 54.840 -0.016 0.000 0.752 149 L CB -0.399 41.638 42.059 -0.036 0.000 0.896 149 L HN 0.131 nan 8.230 nan 0.000 0.433 150 L N -1.157 120.022 121.223 -0.074 0.000 2.456 150 L HA -0.131 4.209 4.340 -0.000 0.000 0.224 150 L C 2.483 179.295 176.870 -0.097 0.000 1.148 150 L CA 0.327 55.112 54.840 -0.091 0.000 0.825 150 L CB -0.463 41.529 42.059 -0.110 0.000 0.937 150 L HN 0.136 nan 8.230 nan 0.000 0.450 151 S N -0.243 115.400 115.700 -0.095 0.000 2.474 151 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 151 S C 2.071 176.649 174.600 -0.035 0.000 0.997 151 S CA 0.970 59.128 58.200 -0.070 0.000 0.949 151 S CB -0.010 63.170 63.200 -0.033 0.000 0.766 151 S HN 0.530 nan 8.310 nan 0.000 0.517 152 A N 0.550 123.353 122.820 -0.028 0.000 2.072 152 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 152 A C 0.732 178.309 177.584 -0.011 0.000 1.156 152 A CA 0.130 52.158 52.037 -0.015 0.000 0.701 152 A CB -0.310 18.682 19.000 -0.013 0.000 0.816 152 A HN 0.417 nan 8.150 nan 0.000 0.458 153 I N 1.881 122.440 120.570 -0.018 0.000 2.680 153 I HA 0.041 4.211 4.170 -0.000 0.000 0.286 153 I C -1.261 174.863 176.117 0.012 0.000 1.144 153 I CA -1.100 60.197 61.300 -0.006 0.000 1.370 153 I CB 0.225 38.216 38.000 -0.014 0.000 1.420 153 I HN 0.145 nan 8.210 nan 0.000 0.540 154 P HA -0.336 nan 4.420 nan 0.000 0.241 154 P C 1.387 178.738 177.300 0.085 0.000 0.811 154 P CA 1.719 64.851 63.100 0.055 0.000 1.119 154 P CB -0.165 31.573 31.700 0.065 0.000 0.732 155 Y N -0.837 119.453 120.300 -0.018 0.000 2.314 155 Y HA -0.043 4.506 4.550 -0.000 0.000 0.293 155 Y C 2.281 178.166 175.900 -0.024 0.000 1.129 155 Y CA 1.235 59.324 58.100 -0.017 0.000 1.201 155 Y CB -0.626 37.823 38.460 -0.018 0.000 0.999 155 Y HN -0.113 nan 8.280 nan 0.000 0.541 156 I N 0.231 120.855 120.570 0.091 0.000 3.428 156 I HA -0.023 4.147 4.170 -0.000 0.000 0.286 156 I C 2.425 178.508 176.117 -0.057 0.000 1.287 156 I CA 0.720 62.026 61.300 0.009 0.000 1.396 156 I CB -0.720 37.305 38.000 0.043 0.000 1.062 156 I HN 0.345 nan 8.210 nan 0.000 0.471 157 G N 1.354 110.120 108.800 -0.056 0.000 2.875 157 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.220 157 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.220 157 G C 1.618 176.470 174.900 -0.080 0.000 1.293 157 G CA 2.161 47.224 45.100 -0.060 0.000 0.789 157 G HN 0.389 nan 8.290 nan 0.000 0.677 158 T N 0.489 115.000 114.554 -0.071 0.000 2.777 158 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 158 T C 2.103 176.770 174.700 -0.055 0.000 1.040 158 T CA 1.344 63.411 62.100 -0.054 0.000 1.141 158 T CB -0.428 68.444 68.868 0.006 0.000 0.868 158 T HN 0.333 nan 8.240 nan 0.000 0.444 159 N N 1.469 120.138 118.700 -0.052 0.000 2.192 159 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 159 N C 1.875 177.375 175.510 -0.016 0.000 1.013 159 N CA 0.887 53.916 53.050 -0.034 0.000 0.863 159 N CB -0.347 38.099 38.487 -0.067 0.000 0.990 159 N HN 0.362 nan 8.380 nan 0.000 0.430 160 L N 0.968 122.161 121.223 -0.049 0.000 2.044 160 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 160 L C 2.174 179.034 176.870 -0.017 0.000 1.075 160 L CA 0.877 55.714 54.840 -0.006 0.000 0.747 160 L CB -0.158 41.874 42.059 -0.044 0.000 0.903 160 L HN -0.044 nan 8.230 nan 0.000 0.435 161 V N -0.975 118.808 119.914 -0.220 0.000 2.427 161 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 161 V C 2.183 177.873 176.094 -0.673 0.000 1.051 161 V CA 1.642 63.581 62.300 -0.601 0.000 1.048 161 V CB -0.702 30.574 31.823 -0.912 0.000 0.666 161 V HN 0.449 nan 8.190 nan 0.000 0.456 162 E N -0.941 119.112 120.200 -0.246 0.000 2.150 162 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 162 E C 1.905 178.585 176.600 0.133 0.000 0.985 162 E CA 1.478 57.918 56.400 0.067 0.000 0.814 162 E CB -0.195 29.540 29.700 0.058 0.000 0.752 162 E HN 0.774 nan 8.360 nan 0.000 0.466 163 W N 0.998 122.258 121.300 -0.067 0.000 2.381 163 W HA -0.093 4.567 4.660 -0.000 0.000 0.301 163 W C 1.686 178.225 176.519 0.034 0.000 1.205 163 W CA 1.101 58.437 57.345 -0.016 0.000 1.285 163 W CB -0.095 29.350 29.460 -0.025 0.000 1.133 163 W HN -0.059 nan 8.180 nan 0.000 0.521 164 I N -0.846 119.763 120.570 0.065 0.000 2.546 164 I HA -0.224 3.946 4.170 -0.000 0.000 0.255 164 I C 1.902 178.090 176.117 0.120 0.000 1.163 164 I CA 0.711 62.006 61.300 -0.008 0.000 1.457 164 I CB -0.555 37.476 38.000 0.051 0.000 1.092 164 I HN 0.020 nan 8.210 nan 0.000 0.434 165 W N 0.747 122.031 121.300 -0.026 0.000 2.453 165 W HA 0.193 4.853 4.660 -0.000 0.000 0.289 165 W C 1.950 178.402 176.519 -0.112 0.000 1.215 165 W CA 1.128 58.426 57.345 -0.078 0.000 1.297 165 W CB -1.026 28.397 29.460 -0.062 0.000 1.113 165 W HN 0.270 nan 8.180 nan 0.000 0.551 166 G N 0.519 109.387 108.800 0.114 0.000 2.198 166 G HA2 0.102 4.062 3.960 -0.000 0.000 0.257 166 G HA3 0.102 4.062 3.960 -0.000 0.000 0.257 166 G C 0.463 175.341 174.900 -0.035 0.000 1.042 166 G CA 0.497 45.598 45.100 0.002 0.000 0.791 166 G HN 0.802 nan 8.290 nan 0.000 0.502 167 G N -2.087 106.680 108.800 -0.056 0.000 2.404 167 G HA2 0.491 4.451 3.960 -0.000 0.000 0.253 167 G HA3 0.491 4.451 3.960 -0.000 0.000 0.253 167 G C -0.060 174.692 174.900 -0.246 0.000 1.253 167 G CA 0.157 45.111 45.100 -0.243 0.000 0.917 167 G HN 0.552 nan 8.290 nan 0.000 0.480 168 F N 1.678 121.675 119.950 0.078 0.000 2.678 168 F HA 0.561 5.088 4.527 -0.000 0.000 0.305 168 F C 1.339 176.887 175.800 -0.420 0.000 1.090 168 F CA 0.424 58.465 58.000 0.068 0.000 1.272 168 F CB 1.030 40.065 39.000 0.058 0.000 1.060 168 F HN 0.639 nan 8.300 nan 0.000 0.576 169 S N -1.378 113.968 115.700 -0.591 0.000 2.688 169 S HA 0.537 5.007 4.470 -0.000 0.000 0.275 169 S C -0.853 173.067 174.600 -1.132 0.000 1.175 169 S CA -0.835 56.722 58.200 -1.073 0.000 0.818 169 S CB 1.248 64.198 63.200 -0.417 0.000 1.157 169 S HN -0.252 nan 8.310 nan 0.000 0.482 170 V N 2.880 122.184 119.914 -1.017 0.000 2.324 170 V HA 0.253 4.373 4.120 -0.000 0.000 0.244 170 V C 0.323 176.357 176.094 -0.100 0.000 1.144 170 V CA 0.312 62.222 62.300 -0.650 0.000 1.158 170 V CB -0.970 30.318 31.823 -0.892 0.000 1.254 170 V HN 0.769 nan 8.190 nan 0.000 0.492 171 D N 2.620 122.984 120.400 -0.060 0.000 2.538 171 D HA 0.237 4.877 4.640 -0.000 0.000 0.262 171 D C 1.370 177.663 176.300 -0.013 0.000 1.186 171 D CA -0.649 53.392 54.000 0.067 0.000 1.090 171 D CB 1.090 41.878 40.800 -0.020 0.000 1.187 171 D HN 0.212 nan 8.370 nan 0.000 0.614 172 K N -0.158 120.197 120.400 -0.076 0.000 2.025 172 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 172 K C 1.829 178.307 176.600 -0.203 0.000 1.049 172 K CA 1.242 57.419 56.287 -0.184 0.000 0.933 172 K CB -0.284 32.147 32.500 -0.115 0.000 0.714 172 K HN 0.317 nan 8.250 nan 0.000 0.438 173 A N 0.866 123.611 122.820 -0.126 0.000 1.883 173 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 173 A C 2.145 179.663 177.584 -0.111 0.000 1.186 173 A CA 2.536 54.514 52.037 -0.098 0.000 0.624 173 A CB -1.241 17.721 19.000 -0.062 0.000 0.822 173 A HN 0.520 nan 8.150 nan 0.000 0.444 174 T N -0.049 114.414 114.554 -0.153 0.000 2.759 174 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 174 T C 1.842 176.355 174.700 -0.311 0.000 1.042 174 T CA 1.341 63.290 62.100 -0.251 0.000 1.140 174 T CB -0.469 68.200 68.868 -0.332 0.000 0.864 174 T HN 0.327 nan 8.240 nan 0.000 0.455 175 L N 0.652 121.660 121.223 -0.358 0.000 1.976 175 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 175 L C 2.874 179.725 176.870 -0.032 0.000 1.071 175 L CA 1.699 56.339 54.840 -0.334 0.000 0.746 175 L CB -0.771 40.848 42.059 -0.734 0.000 0.890 175 L HN 0.281 nan 8.230 nan 0.000 0.432 176 T N -0.893 113.625 114.554 -0.059 0.000 2.777 176 T HA -0.224 4.126 4.350 -0.000 0.000 0.266 176 T C 1.887 176.687 174.700 0.166 0.000 1.040 176 T CA 1.409 63.554 62.100 0.076 0.000 1.141 176 T CB -0.257 68.600 68.868 -0.019 0.000 0.868 176 T HN 0.325 nan 8.240 nan 0.000 0.444 177 R N 0.150 120.715 120.500 0.109 0.000 2.073 177 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 177 R C 2.022 178.550 176.300 0.381 0.000 1.134 177 R CA 1.482 57.667 56.100 0.142 0.000 0.952 177 R CB -0.538 29.865 30.300 0.171 0.000 0.850 177 R HN 0.265 nan 8.270 nan 0.000 0.433 178 F N 0.601 120.677 119.950 0.209 0.000 2.202 178 F HA -0.161 4.366 4.527 -0.000 0.000 0.301 178 F C 2.122 178.098 175.800 0.295 0.000 1.082 178 F CA 0.751 58.905 58.000 0.256 0.000 1.313 178 F CB -0.934 38.135 39.000 0.115 0.000 1.024 178 F HN 0.063 nan 8.300 nan 0.000 0.495 179 F N 0.662 120.788 119.950 0.293 0.000 2.102 179 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 179 F C 2.314 178.262 175.800 0.247 0.000 1.105 179 F CA 1.282 59.437 58.000 0.258 0.000 1.239 179 F CB -0.937 38.219 39.000 0.260 0.000 0.991 179 F HN -0.090 nan 8.300 nan 0.000 0.474 180 A N 0.005 122.813 122.820 -0.020 0.000 1.883 180 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 180 A C 2.114 179.584 177.584 -0.190 0.000 1.186 180 A CA 1.854 53.730 52.037 -0.269 0.000 0.624 180 A CB -1.555 17.212 19.000 -0.390 0.000 0.822 180 A HN 0.396 nan 8.150 nan 0.000 0.444 181 F N -1.024 118.958 119.950 0.053 0.000 2.234 181 F HA -0.072 4.454 4.527 -0.000 0.000 0.299 181 F C 2.213 178.032 175.800 0.032 0.000 1.087 181 F CA 1.567 59.583 58.000 0.026 0.000 1.340 181 F CB -0.802 38.188 39.000 -0.016 0.000 1.031 181 F HN 0.470 nan 8.300 nan 0.000 0.500 182 H N -1.634 117.512 119.070 0.126 0.000 2.529 182 H HA -0.069 4.487 4.556 -0.000 0.000 0.277 182 H C 1.888 177.198 175.328 -0.031 0.000 0.999 182 H CA 0.925 56.997 56.048 0.040 0.000 1.256 182 H CB -0.169 29.641 29.762 0.079 0.000 1.402 182 H HN 0.148 nan 8.280 nan 0.000 0.566 183 F N -0.305 119.520 119.950 -0.207 0.000 2.147 183 F HA 0.018 4.545 4.527 -0.000 0.000 0.291 183 F C 2.276 177.940 175.800 -0.226 0.000 1.093 183 F CA 0.924 58.753 58.000 -0.284 0.000 1.263 183 F CB -0.525 38.258 39.000 -0.361 0.000 1.036 183 F HN 0.219 nan 8.300 nan 0.000 0.481 184 I N -0.506 120.194 120.570 0.216 0.000 2.252 184 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 184 I C 2.281 178.454 176.117 0.092 0.000 1.102 184 I CA 1.073 62.520 61.300 0.244 0.000 1.385 184 I CB -0.257 37.849 38.000 0.177 0.000 1.064 184 I HN 0.119 nan 8.210 nan 0.000 0.414 185 L N 1.038 122.268 121.223 0.012 0.000 2.043 185 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 185 L C -0.460 176.335 176.870 -0.125 0.000 1.075 185 L CA 1.763 56.587 54.840 -0.027 0.000 0.752 185 L CB -1.810 40.242 42.059 -0.011 0.000 0.891 185 L HN 0.243 nan 8.230 nan 0.000 0.432 186 P HA -0.153 nan 4.420 nan 0.000 0.220 186 P C 1.232 178.369 177.300 -0.271 0.000 1.148 186 P CA 1.321 64.215 63.100 -0.344 0.000 0.803 186 P CB 0.012 31.389 31.700 -0.539 0.000 0.782 187 F N -1.035 118.930 119.950 0.024 0.000 2.128 187 F HA -0.042 4.485 4.527 -0.000 0.000 0.295 187 F C 2.237 178.054 175.800 0.028 0.000 1.100 187 F CA 0.717 58.738 58.000 0.035 0.000 1.260 187 F CB -1.655 37.376 39.000 0.052 0.000 1.009 187 F HN -0.182 nan 8.300 nan 0.000 0.476 188 I N -0.008 120.671 120.570 0.183 0.000 2.163 188 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 188 I C 2.372 178.529 176.117 0.066 0.000 1.085 188 I CA 1.345 62.711 61.300 0.110 0.000 1.347 188 I CB -0.639 37.414 38.000 0.088 0.000 1.044 188 I HN 0.037 nan 8.210 nan 0.000 0.408 189 I N -0.063 120.523 120.570 0.027 0.000 2.113 189 I HA -0.420 3.750 4.170 -0.000 0.000 0.242 189 I C 2.691 178.828 176.117 0.033 0.000 1.057 189 I CA 1.957 63.260 61.300 0.004 0.000 1.314 189 I CB -0.274 37.708 38.000 -0.030 0.000 1.022 189 I HN 0.290 nan 8.210 nan 0.000 0.408 190 M N -0.219 119.421 119.600 0.066 0.000 2.117 190 M HA -0.240 4.240 4.480 -0.000 0.000 0.262 190 M C 2.395 178.740 176.300 0.076 0.000 1.065 190 M CA 2.148 57.498 55.300 0.083 0.000 1.114 190 M CB -0.174 32.505 32.600 0.132 0.000 1.361 190 M HN 0.361 nan 8.290 nan 0.000 0.408 191 A N 0.553 123.423 122.820 0.084 0.000 1.883 191 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 191 A C 1.922 179.537 177.584 0.051 0.000 1.186 191 A CA 1.751 53.825 52.037 0.063 0.000 0.624 191 A CB -1.038 18.001 19.000 0.065 0.000 0.822 191 A HN 0.584 nan 8.150 nan 0.000 0.444 192 I N -0.243 120.359 120.570 0.052 0.000 2.286 192 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 192 I C 2.889 179.045 176.117 0.066 0.000 1.115 192 I CA 0.954 62.287 61.300 0.056 0.000 1.392 192 I CB -0.314 37.710 38.000 0.040 0.000 1.065 192 I HN 0.363 nan 8.210 nan 0.000 0.418 193 A N 1.615 124.457 122.820 0.036 0.000 1.972 193 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 193 A C 2.416 180.050 177.584 0.084 0.000 1.169 193 A CA 1.696 53.756 52.037 0.040 0.000 0.635 193 A CB -0.560 18.443 19.000 0.005 0.000 0.810 193 A HN 0.546 nan 8.150 nan 0.000 0.446 194 M N -1.397 118.234 119.600 0.051 0.000 2.319 194 M HA 0.008 4.488 4.480 -0.000 0.000 0.265 194 M C 1.661 177.943 176.300 -0.031 0.000 1.068 194 M CA 1.512 56.819 55.300 0.012 0.000 1.118 194 M CB -0.747 31.862 32.600 0.014 0.000 1.395 194 M HN 0.045 nan 8.290 nan 0.000 0.435 195 V N 0.697 120.612 119.914 0.001 0.000 2.379 195 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 195 V C 2.480 178.600 176.094 0.043 0.000 1.044 195 V CA 2.279 64.546 62.300 -0.056 0.000 1.036 195 V CB -1.250 30.573 31.823 -0.001 0.000 0.664 195 V HN 0.533 nan 8.190 nan 0.000 0.453 196 H N 0.235 119.339 119.070 0.056 0.000 2.289 196 H HA -0.207 4.349 4.556 -0.000 0.000 0.294 196 H C 2.093 177.427 175.328 0.010 0.000 1.095 196 H CA 2.225 58.334 56.048 0.101 0.000 1.256 196 H CB -0.227 29.577 29.762 0.071 0.000 1.359 196 H HN 0.279 nan 8.280 nan 0.000 0.487 197 L N -0.455 120.739 121.223 -0.048 0.000 2.201 197 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 197 L C 2.181 178.752 176.870 -0.499 0.000 1.105 197 L CA 0.530 55.165 54.840 -0.341 0.000 0.775 197 L CB -0.216 41.631 42.059 -0.352 0.000 0.913 197 L HN 0.357 nan 8.230 nan 0.000 0.440 198 L N -0.628 120.414 121.223 -0.302 0.000 1.993 198 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 198 L C 2.271 179.005 176.870 -0.227 0.000 1.074 198 L CA 1.912 56.573 54.840 -0.299 0.000 0.746 198 L CB -1.141 40.717 42.059 -0.334 0.000 0.896 198 L HN -0.004 nan 8.230 nan 0.000 0.435 199 F N -0.187 119.678 119.950 -0.143 0.000 2.115 199 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 199 F C 2.463 178.132 175.800 -0.219 0.000 1.092 199 F CA 2.013 59.929 58.000 -0.140 0.000 1.245 199 F CB -1.230 37.712 39.000 -0.097 0.000 0.995 199 F HN 0.223 nan 8.300 nan 0.000 0.481 200 L N -0.210 120.964 121.223 -0.083 0.000 1.989 200 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 200 L C 2.373 179.177 176.870 -0.110 0.000 1.071 200 L CA 2.085 56.812 54.840 -0.188 0.000 0.749 200 L CB -0.961 40.995 42.059 -0.172 0.000 0.890 200 L HN 0.251 nan 8.230 nan 0.000 0.431 201 H N -1.766 117.208 119.070 -0.160 0.000 2.518 201 H HA -0.143 4.413 4.556 -0.000 0.000 0.289 201 H C 1.804 177.052 175.328 -0.134 0.000 1.051 201 H CA 0.596 56.553 56.048 -0.152 0.000 1.280 201 H CB 0.290 29.957 29.762 -0.159 0.000 1.380 201 H HN 0.398 nan 8.280 nan 0.000 0.566 202 E N 0.452 120.644 120.200 -0.013 0.000 2.265 202 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 202 E C 1.964 178.511 176.600 -0.087 0.000 0.996 202 E CA 1.698 58.076 56.400 -0.037 0.000 0.832 202 E CB 0.173 29.874 29.700 0.002 0.000 0.756 202 E HN 0.593 nan 8.360 nan 0.000 0.491 203 T N -4.886 109.554 114.554 -0.191 0.000 2.964 203 T HA 0.461 4.811 4.350 -0.000 0.000 0.250 203 T C 0.968 175.591 174.700 -0.129 0.000 0.982 203 T CA 0.118 62.086 62.100 -0.221 0.000 0.959 203 T CB 0.416 68.949 68.868 -0.558 0.000 1.141 203 T HN 0.289 nan 8.240 nan 0.000 0.494 204 G N 1.235 109.963 108.800 -0.119 0.000 2.796 204 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.571 204 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.571 204 G C -0.343 174.586 174.900 0.048 0.000 1.370 204 G CA -0.454 44.633 45.100 -0.022 0.000 0.856 204 G HN 0.565 nan 8.290 nan 0.000 0.538 205 S N -0.078 115.706 115.700 0.139 0.000 2.593 205 S HA 0.418 4.888 4.470 -0.000 0.000 0.269 205 S C 0.921 175.725 174.600 0.340 0.000 1.334 205 S CA 0.126 58.497 58.200 0.286 0.000 1.015 205 S CB 0.979 64.303 63.200 0.206 0.000 0.912 205 S HN 0.925 nan 8.310 nan 0.000 0.541 206 N N 1.332 120.327 118.700 0.491 0.000 2.347 206 N HA 0.280 5.020 4.740 -0.000 0.000 0.253 206 N C -0.430 175.120 175.510 0.066 0.000 1.274 206 N CA -0.354 52.862 53.050 0.277 0.000 0.941 206 N CB 0.368 38.969 38.487 0.190 0.000 1.200 206 N HN 0.816 nan 8.380 nan 0.000 0.514 207 N N -1.767 116.873 118.700 -0.101 0.000 2.571 207 N HA 0.520 5.260 4.740 -0.000 0.000 0.273 207 N C -2.535 172.757 175.510 -0.363 0.000 1.340 207 N CA -1.267 51.466 53.050 -0.528 0.000 0.789 207 N CB 1.749 40.009 38.487 -0.378 0.000 1.514 207 N HN 0.153 nan 8.380 nan 0.000 0.499 208 P HA -0.198 nan 4.420 nan 0.000 0.218 208 P C 0.913 178.239 177.300 0.043 0.000 1.146 208 P CA 1.946 64.873 63.100 -0.290 0.000 0.820 208 P CB -0.076 31.510 31.700 -0.190 0.000 0.778 209 T N -5.937 108.607 114.554 -0.017 0.000 3.014 209 T HA 0.201 4.551 4.350 -0.000 0.000 0.263 209 T C 1.773 176.530 174.700 0.095 0.000 1.078 209 T CA 0.933 63.052 62.100 0.031 0.000 1.135 209 T CB -0.946 68.029 68.868 0.178 0.000 0.895 209 T HN 0.219 nan 8.240 nan 0.000 0.480 210 G N 1.459 110.298 108.800 0.065 0.000 2.179 210 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 210 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 210 G C 0.074 174.999 174.900 0.042 0.000 0.977 210 G CA 0.269 45.390 45.100 0.036 0.000 0.641 210 G HN 0.690 nan 8.290 nan 0.000 0.533 211 I N 1.604 122.228 120.570 0.090 0.000 2.662 211 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 211 I C 1.292 177.434 176.117 0.041 0.000 1.046 211 I CA -0.038 61.308 61.300 0.076 0.000 1.361 211 I CB 1.537 39.603 38.000 0.111 0.000 1.429 211 I HN 0.233 nan 8.210 nan 0.000 0.558 212 S N 2.820 118.541 115.700 0.035 0.000 2.562 212 S HA 0.083 4.553 4.470 -0.000 0.000 0.281 212 S C 0.804 175.419 174.600 0.025 0.000 1.333 212 S CA -0.230 57.989 58.200 0.033 0.000 1.052 212 S CB 0.684 63.906 63.200 0.037 0.000 0.884 212 S HN 0.714 nan 8.310 nan 0.000 0.506 213 S N 1.996 117.707 115.700 0.018 0.000 2.568 213 S HA 0.199 4.669 4.470 -0.000 0.000 0.232 213 S C 0.448 175.053 174.600 0.009 0.000 0.975 213 S CA -0.440 57.762 58.200 0.003 0.000 0.949 213 S CB 0.028 63.215 63.200 -0.022 0.000 0.829 213 S HN 0.729 nan 8.310 nan 0.000 0.479 214 D N 2.473 122.883 120.400 0.017 0.000 2.265 214 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 214 D C 1.987 178.294 176.300 0.012 0.000 0.977 214 D CA 1.218 55.228 54.000 0.017 0.000 0.871 214 D CB -0.129 40.683 40.800 0.020 0.000 0.925 214 D HN 0.572 nan 8.370 nan 0.000 0.485 215 V N -2.172 117.747 119.914 0.010 0.000 3.541 215 V HA 0.106 4.225 4.120 -0.000 0.000 0.267 215 V C 0.397 176.491 176.094 -0.000 0.000 1.213 215 V CA 0.574 62.877 62.300 0.006 0.000 1.149 215 V CB 0.193 32.021 31.823 0.007 0.000 0.822 215 V HN -0.152 nan 8.190 nan 0.000 0.462 216 D N 0.447 120.845 120.400 -0.003 0.000 3.220 216 D HA 0.221 4.861 4.640 -0.000 0.000 0.309 216 D C -0.336 175.956 176.300 -0.014 0.000 1.276 216 D CA -0.249 53.743 54.000 -0.015 0.000 0.736 216 D CB 0.302 41.089 40.800 -0.023 0.000 1.304 216 D HN 0.161 nan 8.370 nan 0.000 0.582 217 K N 0.912 121.313 120.400 0.002 0.000 2.172 217 K HA 0.522 4.841 4.320 -0.000 0.000 0.276 217 K C 0.476 177.090 176.600 0.024 0.000 1.013 217 K CA -0.577 55.723 56.287 0.021 0.000 0.913 217 K CB 1.598 34.118 32.500 0.032 0.000 1.055 217 K HN 0.457 nan 8.250 nan 0.000 0.461 218 I N -0.415 120.183 120.570 0.047 0.000 2.740 218 I HA 0.539 4.709 4.170 -0.000 0.000 0.303 218 I C -2.519 173.702 176.117 0.174 0.000 1.044 218 I CA -2.841 58.495 61.300 0.059 0.000 1.064 218 I CB 2.202 40.135 38.000 -0.113 0.000 1.249 218 I HN 0.266 nan 8.210 nan 0.000 0.433 219 P HA 0.084 nan 4.420 nan 0.000 0.281 219 P C 0.366 177.851 177.300 0.308 0.000 1.252 219 P CA -0.038 63.206 63.100 0.240 0.000 0.778 219 P CB 0.769 32.581 31.700 0.188 0.000 0.895 220 F N 2.690 122.773 119.950 0.221 0.000 2.225 220 F HA -0.205 4.322 4.527 -0.000 0.000 0.302 220 F C 1.157 177.105 175.800 0.246 0.000 1.068 220 F CA 1.605 59.784 58.000 0.298 0.000 1.327 220 F CB -0.229 38.903 39.000 0.219 0.000 1.043 220 F HN 0.432 nan 8.300 nan 0.000 0.506 221 H N -0.069 119.117 119.070 0.193 0.000 2.469 221 H HA 0.303 4.859 4.556 -0.000 0.000 0.342 221 H C -2.021 173.229 175.328 -0.131 0.000 1.115 221 H CA -2.445 53.615 56.048 0.020 0.000 1.204 221 H CB 1.676 31.499 29.762 0.102 0.000 1.492 221 H HN -0.236 nan 8.280 nan 0.000 0.499 222 P HA -0.020 nan 4.420 nan 0.000 0.245 222 P C 0.576 177.470 177.300 -0.677 0.000 1.203 222 P CA 0.512 62.969 63.100 -1.071 0.000 0.792 222 P CB 0.237 31.320 31.700 -1.028 0.000 0.997 223 Y N -0.536 119.494 120.300 -0.450 0.000 2.097 223 Y HA -0.200 4.350 4.550 -0.000 0.000 0.282 223 Y C 2.042 177.482 175.900 -0.767 0.000 1.152 223 Y CA 1.611 59.343 58.100 -0.614 0.000 1.136 223 Y CB -1.661 36.347 38.460 -0.753 0.000 0.975 223 Y HN -0.040 nan 8.280 nan 0.000 0.498 224 Y N -1.170 118.930 120.300 -0.333 0.000 2.500 224 Y HA -0.006 4.544 4.550 -0.000 0.000 0.270 224 Y C 2.310 177.861 175.900 -0.581 0.000 1.134 224 Y CA 0.562 58.286 58.100 -0.627 0.000 1.293 224 Y CB -0.981 36.814 38.460 -1.108 0.000 1.063 224 Y HN 0.050 nan 8.280 nan 0.000 0.534 225 T N 0.316 114.699 114.554 -0.286 0.000 2.674 225 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 225 T C 1.962 176.651 174.700 -0.018 0.000 1.039 225 T CA 1.666 63.770 62.100 0.006 0.000 1.150 225 T CB -0.438 68.539 68.868 0.181 0.000 0.864 225 T HN 0.223 nan 8.240 nan 0.000 0.427 226 I N 0.479 120.988 120.570 -0.102 0.000 2.439 226 I HA 0.022 4.192 4.170 -0.000 0.000 0.251 226 I C 2.322 178.407 176.117 -0.053 0.000 1.139 226 I CA 1.252 62.503 61.300 -0.082 0.000 1.438 226 I CB -0.074 37.849 38.000 -0.128 0.000 1.085 226 I HN 0.029 nan 8.210 nan 0.000 0.427 227 K N 0.214 120.582 120.400 -0.054 0.000 2.148 227 K HA -0.169 4.151 4.320 -0.000 0.000 0.204 227 K C 1.473 178.090 176.600 0.028 0.000 1.050 227 K CA 1.569 57.860 56.287 0.007 0.000 0.942 227 K CB 0.029 32.584 32.500 0.092 0.000 0.724 227 K HN 0.284 nan 8.250 nan 0.000 0.446 228 D N 0.215 120.643 120.400 0.045 0.000 2.194 228 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 228 D C 1.651 177.974 176.300 0.037 0.000 0.964 228 D CA 0.555 54.594 54.000 0.067 0.000 0.846 228 D CB 0.082 40.976 40.800 0.157 0.000 0.962 228 D HN 0.085 nan 8.370 nan 0.000 0.490 229 I N 0.745 121.331 120.570 0.027 0.000 2.179 229 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 229 I C 2.358 178.473 176.117 -0.004 0.000 1.088 229 I CA 0.679 61.987 61.300 0.013 0.000 1.357 229 I CB -1.016 36.989 38.000 0.008 0.000 1.051 229 I HN 0.053 nan 8.210 nan 0.000 0.409 230 L N 1.152 122.367 121.223 -0.013 0.000 2.046 230 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 230 L C 2.382 179.234 176.870 -0.031 0.000 1.077 230 L CA 2.217 57.045 54.840 -0.022 0.000 0.747 230 L CB -1.201 40.842 42.059 -0.026 0.000 0.896 230 L HN 0.233 nan 8.230 nan 0.000 0.432 231 G N -1.149 107.626 108.800 -0.042 0.000 2.422 231 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.218 231 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.218 231 G C 1.574 176.436 174.900 -0.063 0.000 1.146 231 G CA 0.709 45.762 45.100 -0.078 0.000 0.769 231 G HN 0.632 nan 8.290 nan 0.000 0.547 232 A N 0.098 122.899 122.820 -0.033 0.000 1.969 232 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 232 A C 2.319 179.896 177.584 -0.012 0.000 1.169 232 A CA 1.192 53.217 52.037 -0.020 0.000 0.635 232 A CB -0.307 18.690 19.000 -0.006 0.000 0.810 232 A HN 0.328 nan 8.150 nan 0.000 0.445 233 L N -0.463 120.753 121.223 -0.011 0.000 2.083 233 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 233 L C 2.381 179.252 176.870 0.002 0.000 1.083 233 L CA 1.335 56.173 54.840 -0.004 0.000 0.752 233 L CB -0.297 41.758 42.059 -0.005 0.000 0.899 233 L HN 0.400 nan 8.230 nan 0.000 0.433 234 L N -1.723 119.495 121.223 -0.008 0.000 2.093 234 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 234 L C 2.392 179.273 176.870 0.018 0.000 1.085 234 L CA 0.837 55.677 54.840 -0.001 0.000 0.755 234 L CB -0.511 41.535 42.059 -0.022 0.000 0.904 234 L HN 0.265 nan 8.230 nan 0.000 0.435 235 L N -0.348 120.882 121.223 0.012 0.000 2.017 235 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 235 L C 2.392 179.289 176.870 0.045 0.000 1.073 235 L CA 1.553 56.413 54.840 0.035 0.000 0.745 235 L CB -0.251 41.818 42.059 0.017 0.000 0.894 235 L HN 0.088 nan 8.230 nan 0.000 0.432 236 I N -0.723 119.865 120.570 0.030 0.000 2.226 236 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 236 I C 2.506 178.656 176.117 0.056 0.000 1.100 236 I CA 1.388 62.710 61.300 0.036 0.000 1.374 236 I CB -1.339 36.672 38.000 0.019 0.000 1.057 236 I HN 0.351 nan 8.210 nan 0.000 0.413 237 L N 1.250 122.504 121.223 0.053 0.000 1.989 237 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 237 L C 2.653 179.575 176.870 0.087 0.000 1.071 237 L CA 2.275 57.156 54.840 0.068 0.000 0.749 237 L CB -0.447 41.642 42.059 0.051 0.000 0.890 237 L HN 0.191 nan 8.230 nan 0.000 0.431 238 A N -0.488 122.380 122.820 0.080 0.000 1.933 238 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 238 A C 2.235 179.888 177.584 0.116 0.000 1.175 238 A CA 1.761 53.855 52.037 0.094 0.000 0.628 238 A CB -0.956 18.101 19.000 0.095 0.000 0.814 238 A HN 0.562 nan 8.150 nan 0.000 0.444 239 L N -1.235 120.055 121.223 0.111 0.000 2.109 239 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 239 L C 2.057 179.005 176.870 0.130 0.000 1.086 239 L CA 1.891 56.805 54.840 0.123 0.000 0.760 239 L CB -0.627 41.493 42.059 0.102 0.000 0.910 239 L HN 0.339 nan 8.230 nan 0.000 0.437 240 M N -0.665 119.006 119.600 0.119 0.000 2.388 240 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 240 M C 2.268 178.678 176.300 0.182 0.000 1.088 240 M CA 0.923 56.299 55.300 0.127 0.000 1.134 240 M CB -0.537 32.120 32.600 0.095 0.000 1.384 240 M HN 0.259 nan 8.290 nan 0.000 0.447 241 L N 0.392 121.748 121.223 0.221 0.000 2.083 241 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 241 L C 2.188 179.239 176.870 0.301 0.000 1.083 241 L CA 1.043 56.087 54.840 0.339 0.000 0.752 241 L CB -0.268 41.916 42.059 0.209 0.000 0.899 241 L HN 0.154 nan 8.230 nan 0.000 0.433 242 L N -1.811 119.532 121.223 0.199 0.000 2.275 242 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 242 L C 1.971 178.936 176.870 0.159 0.000 1.119 242 L CA 1.023 55.964 54.840 0.169 0.000 0.790 242 L CB -0.120 42.035 42.059 0.159 0.000 0.919 242 L HN 0.037 nan 8.230 nan 0.000 0.443 243 V N -1.554 118.461 119.914 0.168 0.000 2.672 243 V HA -0.048 4.072 4.120 -0.000 0.000 0.242 243 V C 1.720 177.905 176.094 0.153 0.000 1.059 243 V CA 0.835 63.242 62.300 0.178 0.000 1.081 243 V CB 0.096 32.043 31.823 0.206 0.000 0.752 243 V HN 0.257 nan 8.190 nan 0.000 0.472 244 L N -1.841 119.424 121.223 0.069 0.000 2.592 244 L HA 0.244 4.584 4.340 -0.000 0.000 0.227 244 L C 1.541 178.124 176.870 -0.478 0.000 1.127 244 L CA 0.763 55.511 54.840 -0.153 0.000 0.884 244 L CB -0.061 41.837 42.059 -0.268 0.000 1.065 244 L HN 0.253 nan 8.230 nan 0.000 0.457 245 F N -0.633 119.358 119.950 0.070 0.000 2.658 245 F HA 0.399 4.926 4.527 -0.000 0.000 0.293 245 F C 1.181 176.985 175.800 0.007 0.000 0.986 245 F CA -0.130 57.891 58.000 0.034 0.000 1.182 245 F CB 0.295 39.314 39.000 0.033 0.000 0.965 245 F HN -0.186 nan 8.300 nan 0.000 0.659 246 A N 0.435 123.366 122.820 0.185 0.000 3.317 246 A HA 0.519 4.839 4.320 -0.000 0.000 0.307 246 A C -2.196 175.401 177.584 0.021 0.000 1.003 246 A CA -0.880 51.208 52.037 0.084 0.000 0.882 246 A CB -0.377 18.678 19.000 0.092 0.000 1.136 246 A HN -0.009 nan 8.150 nan 0.000 0.488 247 P HA -0.027 nan 4.420 nan 0.000 0.230 247 P C 0.199 177.394 177.300 -0.176 0.000 1.158 247 P CA 1.238 64.203 63.100 -0.226 0.000 0.769 247 P CB 0.398 31.690 31.700 -0.680 0.000 0.807 248 D N -2.292 118.051 120.400 -0.095 0.000 2.503 248 D HA 0.119 4.759 4.640 -0.000 0.000 0.218 248 D C 1.460 177.785 176.300 0.041 0.000 1.183 248 D CA -0.226 53.770 54.000 -0.007 0.000 0.827 248 D CB 0.039 40.797 40.800 -0.069 0.000 1.034 248 D HN -0.035 nan 8.370 nan 0.000 0.510 249 L N 0.843 122.092 121.223 0.043 0.000 2.043 249 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 249 L C 1.810 178.733 176.870 0.088 0.000 1.075 249 L CA 1.480 56.352 54.840 0.054 0.000 0.752 249 L CB -0.057 42.033 42.059 0.051 0.000 0.891 249 L HN 0.081 nan 8.230 nan 0.000 0.432 250 L N -1.504 119.802 121.223 0.138 0.000 2.558 250 L HA 0.261 4.601 4.340 -0.000 0.000 0.225 250 L C 1.175 178.159 176.870 0.189 0.000 1.128 250 L CA 0.612 55.581 54.840 0.214 0.000 0.868 250 L CB -2.037 40.232 42.059 0.350 0.000 1.006 250 L HN 0.253 nan 8.230 nan 0.000 0.454 251 G N -0.120 108.783 108.800 0.172 0.000 2.400 251 G HA2 0.202 4.162 3.960 -0.000 0.000 0.301 251 G HA3 0.202 4.162 3.960 -0.000 0.000 0.301 251 G C -0.867 174.156 174.900 0.206 0.000 1.154 251 G CA -0.282 44.948 45.100 0.217 0.000 0.852 251 G HN -0.004 nan 8.290 nan 0.000 0.511 252 D N 1.967 122.534 120.400 0.277 0.000 2.277 252 D HA 0.206 4.846 4.640 -0.000 0.000 0.249 252 D C -1.300 175.194 176.300 0.325 0.000 1.134 252 D CA -1.520 52.649 54.000 0.283 0.000 0.863 252 D CB 2.304 43.297 40.800 0.322 0.000 1.143 252 D HN -0.009 nan 8.370 nan 0.000 0.458 253 P HA -0.102 nan 4.420 nan 0.000 0.219 253 P C 0.874 178.353 177.300 0.298 0.000 1.146 253 P CA 0.579 63.802 63.100 0.205 0.000 0.808 253 P CB 0.402 32.170 31.700 0.113 0.000 0.779 254 D N -0.940 119.633 120.400 0.288 0.000 2.182 254 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 254 D C 1.477 177.927 176.300 0.250 0.000 0.986 254 D CA 0.986 55.123 54.000 0.228 0.000 0.847 254 D CB -0.541 40.351 40.800 0.153 0.000 0.942 254 D HN 0.065 nan 8.370 nan 0.000 0.467 255 N N -0.515 118.370 118.700 0.308 0.000 2.609 255 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 255 N C 0.550 176.243 175.510 0.304 0.000 1.157 255 N CA 0.327 53.523 53.050 0.243 0.000 0.918 255 N CB -0.170 38.397 38.487 0.135 0.000 0.978 255 N HN 0.264 nan 8.380 nan 0.000 0.448 256 Y N -0.832 119.635 120.300 0.278 0.000 2.461 256 Y HA 0.159 4.709 4.550 -0.000 0.000 0.277 256 Y C 0.498 176.635 175.900 0.394 0.000 1.182 256 Y CA -0.037 58.284 58.100 0.368 0.000 1.276 256 Y CB 0.037 38.639 38.460 0.237 0.000 1.087 256 Y HN -0.083 nan 8.280 nan 0.000 0.519 257 T N -2.077 112.646 114.554 0.282 0.000 2.824 257 T HA 0.472 4.822 4.350 -0.000 0.000 0.282 257 T C -2.969 171.524 174.700 -0.345 0.000 0.993 257 T CA -2.885 59.189 62.100 -0.043 0.000 0.967 257 T CB 2.298 71.165 68.868 -0.002 0.000 0.960 257 T HN -0.291 nan 8.240 nan 0.000 0.441 258 P HA 0.246 nan 4.420 nan 0.000 0.266 258 P C -0.049 177.012 177.300 -0.399 0.000 1.193 258 P CA -0.135 62.463 63.100 -0.836 0.000 0.770 258 P CB 0.162 31.398 31.700 -0.773 0.000 0.836 259 A N 2.950 125.536 122.820 -0.390 0.000 2.546 259 A HA 0.055 4.375 4.320 -0.000 0.000 0.243 259 A C 0.483 177.777 177.584 -0.483 0.000 1.063 259 A CA 0.411 52.120 52.037 -0.547 0.000 0.757 259 A CB -0.621 17.698 19.000 -1.135 0.000 0.991 259 A HN 0.577 nan 8.150 nan 0.000 0.503 260 N N 3.341 121.792 118.700 -0.416 0.000 2.531 260 N HA 0.330 5.070 4.740 -0.000 0.000 0.268 260 N C -2.521 172.775 175.510 -0.357 0.000 1.023 260 N CA -1.601 51.268 53.050 -0.302 0.000 0.896 260 N CB 2.055 40.476 38.487 -0.110 0.000 1.233 260 N HN 0.177 nan 8.380 nan 0.000 0.512 261 P HA 0.046 nan 4.420 nan 0.000 0.234 261 P C 0.797 178.128 177.300 0.052 0.000 1.167 261 P CA 0.678 63.367 63.100 -0.685 0.000 0.763 261 P CB 0.501 31.863 31.700 -0.564 0.000 0.835 262 L N -1.803 119.487 121.223 0.112 0.000 2.379 262 L HA 0.179 4.519 4.340 -0.000 0.000 0.190 262 L C 1.059 178.014 176.870 0.142 0.000 1.111 262 L CA 0.079 55.005 54.840 0.143 0.000 0.820 262 L CB -1.141 40.936 42.059 0.030 0.000 1.046 262 L HN -0.190 nan 8.230 nan 0.000 0.485 263 N N 1.241 119.980 118.700 0.064 0.000 2.406 263 N HA -0.001 4.739 4.740 -0.000 0.000 0.265 263 N C -0.260 175.142 175.510 -0.180 0.000 1.203 263 N CA 0.089 53.111 53.050 -0.048 0.000 0.945 263 N CB 0.461 38.919 38.487 -0.048 0.000 1.165 263 N HN 0.139 nan 8.380 nan 0.000 0.485 264 T N 3.282 117.521 114.554 -0.525 0.000 2.767 264 T HA 0.500 4.850 4.350 -0.000 0.000 0.288 264 T C -2.339 171.964 174.700 -0.662 0.000 0.963 264 T CA -1.769 59.612 62.100 -1.198 0.000 1.019 264 T CB 0.589 68.522 68.868 -1.559 0.000 0.923 264 T HN 0.353 nan 8.240 nan 0.000 0.468 265 P HA 0.276 nan 4.420 nan 0.000 0.272 265 P C -1.896 175.239 177.300 -0.275 0.000 1.240 265 P CA -1.330 61.567 63.100 -0.338 0.000 0.791 265 P CB -0.014 31.490 31.700 -0.326 0.000 0.978 266 P HA -0.087 nan 4.420 nan 0.000 0.214 266 P C 0.185 177.477 177.300 -0.013 0.000 1.162 266 P CA 1.450 64.517 63.100 -0.055 0.000 0.874 266 P CB -0.274 31.451 31.700 0.043 0.000 0.784 267 H N -0.388 118.680 119.070 -0.004 0.000 2.467 267 H HA 0.414 4.970 4.556 -0.000 0.000 0.331 267 H C -0.664 174.685 175.328 0.036 0.000 1.120 267 H CA -1.024 55.039 56.048 0.025 0.000 1.270 267 H CB 0.963 30.745 29.762 0.034 0.000 1.466 267 H HN -0.111 nan 8.280 nan 0.000 0.504 268 I N 2.835 123.431 120.570 0.043 0.000 2.479 268 I HA 0.211 4.381 4.170 -0.000 0.000 0.279 268 I C 0.330 176.465 176.117 0.030 0.000 1.102 268 I CA -0.116 61.199 61.300 0.024 0.000 1.196 268 I CB 0.559 38.623 38.000 0.107 0.000 1.427 268 I HN 0.393 nan 8.210 nan 0.000 0.503 269 K N 6.166 126.621 120.400 0.093 0.000 2.268 269 K HA 0.467 4.787 4.320 -0.000 0.000 0.276 269 K C -2.356 174.193 176.600 -0.086 0.000 1.080 269 K CA -1.659 54.665 56.287 0.062 0.000 0.910 269 K CB 1.045 33.688 32.500 0.240 0.000 1.163 269 K HN 0.145 nan 8.250 nan 0.000 0.465 270 P HA -0.055 nan 4.420 nan 0.000 0.269 270 P C -0.579 176.516 177.300 -0.342 0.000 1.217 270 P CA -0.062 62.847 63.100 -0.318 0.000 0.783 270 P CB 0.501 31.976 31.700 -0.374 0.000 0.898 271 E N 1.698 121.529 120.200 -0.616 0.000 2.392 271 E HA -0.072 4.278 4.350 -0.000 0.000 0.264 271 E C 1.465 177.525 176.600 -0.899 0.000 1.024 271 E CA 0.026 55.912 56.400 -0.856 0.000 0.903 271 E CB 0.125 28.969 29.700 -1.427 0.000 0.963 271 E HN 0.662 nan 8.360 nan 0.000 0.432 272 W N 4.795 125.820 121.300 -0.457 0.000 2.276 272 W HA -0.329 4.331 4.660 -0.000 0.000 0.307 272 W C 1.219 177.671 176.519 -0.111 0.000 1.240 272 W CA 1.471 58.703 57.345 -0.189 0.000 1.249 272 W CB -1.167 28.285 29.460 -0.013 0.000 1.140 272 W HN 0.641 nan 8.180 nan 0.000 0.519 273 Y N -2.669 117.100 120.300 -0.884 0.000 2.616 273 Y HA 0.127 4.677 4.550 -0.000 0.000 0.296 273 Y C 1.508 177.209 175.900 -0.330 0.000 1.154 273 Y CA 0.271 57.916 58.100 -0.758 0.000 1.325 273 Y CB -1.673 35.802 38.460 -1.642 0.000 1.007 273 Y HN -0.193 nan 8.280 nan 0.000 0.542 274 F N -0.262 119.464 119.950 -0.374 0.000 2.706 274 F HA 0.284 4.811 4.527 -0.000 0.000 0.308 274 F C 1.614 177.241 175.800 -0.288 0.000 1.095 274 F CA -0.971 56.838 58.000 -0.320 0.000 1.244 274 F CB -0.233 38.533 39.000 -0.389 0.000 1.063 274 F HN 0.089 nan 8.300 nan 0.000 0.582 275 L N -0.467 120.782 121.223 0.044 0.000 2.017 275 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 275 L C 2.650 179.562 176.870 0.070 0.000 1.073 275 L CA 1.717 56.611 54.840 0.089 0.000 0.745 275 L CB -0.959 41.187 42.059 0.145 0.000 0.894 275 L HN 0.223 nan 8.230 nan 0.000 0.432 276 F N 0.419 120.406 119.950 0.062 0.000 2.126 276 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 276 F C 2.389 178.161 175.800 -0.047 0.000 1.096 276 F CA 1.055 59.042 58.000 -0.022 0.000 1.255 276 F CB -0.972 37.974 39.000 -0.090 0.000 0.997 276 F HN -0.068 nan 8.300 nan 0.000 0.479 277 A N -0.402 121.678 122.820 -1.233 0.000 1.929 277 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 277 A C 2.152 179.549 177.584 -0.312 0.000 1.176 277 A CA 1.172 52.704 52.037 -0.843 0.000 0.628 277 A CB -1.599 16.870 19.000 -0.886 0.000 0.816 277 A HN 0.582 nan 8.150 nan 0.000 0.444 278 Y N 0.878 120.968 120.300 -0.351 0.000 2.128 278 Y HA -0.150 4.400 4.550 -0.000 0.000 0.284 278 Y C 2.703 178.506 175.900 -0.163 0.000 1.154 278 Y CA 1.043 59.010 58.100 -0.221 0.000 1.149 278 Y CB -0.727 37.634 38.460 -0.166 0.000 0.976 278 Y HN 0.321 nan 8.280 nan 0.000 0.505 279 A N 0.359 123.110 122.820 -0.115 0.000 1.851 279 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 279 A C 2.365 179.860 177.584 -0.148 0.000 1.195 279 A CA 2.220 54.162 52.037 -0.157 0.000 0.622 279 A CB -1.310 17.640 19.000 -0.083 0.000 0.831 279 A HN 0.524 nan 8.150 nan 0.000 0.444 280 I N -0.645 119.858 120.570 -0.112 0.000 2.194 280 I HA -0.296 3.874 4.170 -0.000 0.000 0.246 280 I C 2.509 178.589 176.117 -0.062 0.000 1.093 280 I CA 1.735 63.007 61.300 -0.048 0.000 1.355 280 I CB -0.264 37.725 38.000 -0.019 0.000 1.046 280 I HN 0.536 nan 8.210 nan 0.000 0.413 281 L N 0.527 121.679 121.223 -0.119 0.000 2.027 281 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 281 L C 2.551 179.318 176.870 -0.173 0.000 1.074 281 L CA 1.753 56.514 54.840 -0.130 0.000 0.745 281 L CB -0.472 41.503 42.059 -0.141 0.000 0.898 281 L HN 0.012 nan 8.230 nan 0.000 0.433 282 R N -0.766 119.568 120.500 -0.277 0.000 2.189 282 R HA -0.043 4.296 4.340 -0.000 0.000 0.218 282 R C 2.223 178.419 176.300 -0.173 0.000 1.074 282 R CA 1.100 57.027 56.100 -0.288 0.000 0.991 282 R CB -0.146 29.878 30.300 -0.460 0.000 0.883 282 R HN 0.470 nan 8.270 nan 0.000 0.457 283 S N 0.884 116.502 115.700 -0.136 0.000 2.383 283 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 283 S C 0.984 175.545 174.600 -0.064 0.000 1.026 283 S CA 0.534 58.683 58.200 -0.085 0.000 0.981 283 S CB -0.107 63.060 63.200 -0.056 0.000 0.818 283 S HN 0.306 nan 8.310 nan 0.000 0.472 284 I N 3.012 123.543 120.570 -0.066 0.000 2.416 284 I HA 0.203 4.373 4.170 -0.000 0.000 0.288 284 I C -2.008 174.075 176.117 -0.056 0.000 1.051 284 I CA -2.037 59.229 61.300 -0.057 0.000 1.375 284 I CB 1.555 39.518 38.000 -0.061 0.000 1.407 284 I HN -0.055 nan 8.210 nan 0.000 0.516 285 P HA -0.057 nan 4.420 nan 0.000 0.216 285 P C -0.059 177.221 177.300 -0.033 0.000 1.153 285 P CA 0.788 63.866 63.100 -0.037 0.000 0.844 285 P CB -0.078 31.605 31.700 -0.028 0.000 0.787 286 N N 0.058 118.739 118.700 -0.031 0.000 2.407 286 N HA -0.058 4.682 4.740 -0.000 0.000 0.250 286 N C 1.212 176.707 175.510 -0.026 0.000 1.236 286 N CA 0.371 53.405 53.050 -0.025 0.000 0.879 286 N CB 0.386 38.858 38.487 -0.026 0.000 1.088 286 N HN -0.173 nan 8.380 nan 0.000 0.450 287 K N 2.023 122.413 120.400 -0.017 0.000 1.984 287 K HA -0.092 4.228 4.320 -0.000 0.000 0.209 287 K C 1.681 178.271 176.600 -0.017 0.000 1.046 287 K CA 1.015 57.293 56.287 -0.014 0.000 0.934 287 K CB -0.281 32.216 32.500 -0.004 0.000 0.717 287 K HN 0.536 nan 8.250 nan 0.000 0.438 288 L N 0.205 121.420 121.223 -0.014 0.000 2.046 288 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 288 L C 2.359 179.220 176.870 -0.015 0.000 1.077 288 L CA 1.718 56.551 54.840 -0.011 0.000 0.747 288 L CB -0.593 41.463 42.059 -0.006 0.000 0.896 288 L HN 0.323 nan 8.230 nan 0.000 0.432 289 G N -1.433 107.354 108.800 -0.023 0.000 2.408 289 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 289 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 289 G C 1.516 176.394 174.900 -0.038 0.000 1.150 289 G CA 0.588 45.667 45.100 -0.034 0.000 0.776 289 G HN 0.527 nan 8.290 nan 0.000 0.542 290 G N 0.780 109.557 108.800 -0.038 0.000 2.459 290 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 290 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 290 G C 1.800 176.679 174.900 -0.034 0.000 1.183 290 G CA 1.591 46.664 45.100 -0.045 0.000 0.776 290 G HN 0.332 nan 8.290 nan 0.000 0.552 291 V N 0.724 120.621 119.914 -0.029 0.000 2.358 291 V HA -0.076 4.043 4.120 -0.000 0.000 0.246 291 V C 2.833 178.929 176.094 0.005 0.000 1.047 291 V CA 1.322 63.607 62.300 -0.026 0.000 1.035 291 V CB -0.551 31.253 31.823 -0.031 0.000 0.658 291 V HN 0.284 nan 8.190 nan 0.000 0.452 292 L N 0.063 121.296 121.223 0.017 0.000 2.201 292 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 292 L C 2.573 179.514 176.870 0.118 0.000 1.105 292 L CA 1.309 56.186 54.840 0.062 0.000 0.775 292 L CB -0.501 41.590 42.059 0.053 0.000 0.913 292 L HN 0.353 nan 8.230 nan 0.000 0.440 293 A N -0.504 122.348 122.820 0.053 0.000 1.930 293 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 293 A C 2.117 179.818 177.584 0.196 0.000 1.176 293 A CA 1.128 53.206 52.037 0.067 0.000 0.632 293 A CB -0.487 18.493 19.000 -0.033 0.000 0.819 293 A HN 0.329 nan 8.150 nan 0.000 0.445 294 L N -0.015 121.264 121.223 0.093 0.000 2.017 294 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 294 L C 2.567 179.502 176.870 0.107 0.000 1.073 294 L CA 2.325 57.197 54.840 0.054 0.000 0.745 294 L CB -0.801 41.230 42.059 -0.047 0.000 0.894 294 L HN 0.303 nan 8.230 nan 0.000 0.432 295 A N -0.687 122.192 122.820 0.099 0.000 1.865 295 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 295 A C 2.263 179.966 177.584 0.198 0.000 1.191 295 A CA 2.136 54.233 52.037 0.099 0.000 0.623 295 A CB -1.377 17.655 19.000 0.054 0.000 0.826 295 A HN 0.531 nan 8.150 nan 0.000 0.444 296 F N 0.757 120.801 119.950 0.157 0.000 2.216 296 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 296 F C 2.830 178.913 175.800 0.472 0.000 1.085 296 F CA 1.342 59.509 58.000 0.278 0.000 1.326 296 F CB -0.312 38.808 39.000 0.200 0.000 1.027 296 F HN 0.270 nan 8.300 nan 0.000 0.497 297 S N -0.218 115.899 115.700 0.695 0.000 2.419 297 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 297 S C 1.901 176.763 174.600 0.436 0.000 1.019 297 S CA 1.561 60.074 58.200 0.522 0.000 0.982 297 S CB -0.280 63.062 63.200 0.237 0.000 0.789 297 S HN 0.293 nan 8.310 nan 0.000 0.490 298 I N 0.393 121.166 120.570 0.339 0.000 3.194 298 I HA 0.145 4.315 4.170 -0.000 0.000 0.271 298 I C 1.965 178.198 176.117 0.193 0.000 1.150 298 I CA 0.478 61.943 61.300 0.274 0.000 1.440 298 I CB -1.273 36.865 38.000 0.230 0.000 1.276 298 I HN 0.260 nan 8.210 nan 0.000 0.457 299 L N 0.978 122.280 121.223 0.132 0.000 2.450 299 L HA -0.155 4.185 4.340 -0.000 0.000 0.224 299 L C 2.539 179.425 176.870 0.027 0.000 1.149 299 L CA 0.835 55.689 54.840 0.023 0.000 0.816 299 L CB -0.521 41.480 42.059 -0.096 0.000 0.932 299 L HN 0.197 nan 8.230 nan 0.000 0.449 300 I N 0.313 120.987 120.570 0.173 0.000 2.264 300 I HA -0.313 3.856 4.170 -0.000 0.000 0.248 300 I C 2.230 178.453 176.117 0.178 0.000 1.111 300 I CA 1.491 62.942 61.300 0.252 0.000 1.382 300 I CB 0.043 38.290 38.000 0.412 0.000 1.060 300 I HN 0.165 nan 8.210 nan 0.000 0.418 301 L N 0.382 121.723 121.223 0.196 0.000 2.191 301 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 301 L C 2.581 179.709 176.870 0.429 0.000 1.103 301 L CA 1.087 56.110 54.840 0.304 0.000 0.769 301 L CB -0.994 41.205 42.059 0.233 0.000 0.908 301 L HN 0.290 nan 8.230 nan 0.000 0.438 302 A N -0.306 122.659 122.820 0.242 0.000 2.119 302 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 302 A C 2.235 179.909 177.584 0.150 0.000 1.153 302 A CA 0.978 53.149 52.037 0.223 0.000 0.692 302 A CB -0.358 18.698 19.000 0.093 0.000 0.799 302 A HN 0.391 nan 8.150 nan 0.000 0.458 303 L N -1.270 120.017 121.223 0.106 0.000 2.307 303 L HA 0.008 4.348 4.340 -0.000 0.000 0.211 303 L C 2.193 179.053 176.870 -0.016 0.000 1.099 303 L CA 0.424 55.297 54.840 0.055 0.000 0.816 303 L CB -0.427 41.682 42.059 0.084 0.000 0.952 303 L HN 0.304 nan 8.230 nan 0.000 0.455 304 I N 0.879 121.409 120.570 -0.068 0.000 2.143 304 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 304 I C -0.322 175.534 176.117 -0.436 0.000 1.068 304 I CA 2.062 63.173 61.300 -0.315 0.000 1.326 304 I CB -1.365 36.355 38.000 -0.467 0.000 1.028 304 I HN 0.206 nan 8.210 nan 0.000 0.412 305 P HA -0.190 nan 4.420 nan 0.000 0.216 305 P C 1.880 179.161 177.300 -0.032 0.000 1.153 305 P CA 1.738 64.755 63.100 -0.137 0.000 0.858 305 P CB -0.217 31.435 31.700 -0.080 0.000 0.789 306 L N -1.814 119.390 121.223 -0.031 0.000 2.362 306 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 306 L C 1.821 178.689 176.870 -0.004 0.000 1.134 306 L CA 0.923 55.761 54.840 -0.003 0.000 0.807 306 L CB -0.712 41.350 42.059 0.006 0.000 0.927 306 L HN -0.033 nan 8.230 nan 0.000 0.447 307 L N -1.557 119.647 121.223 -0.032 0.000 3.017 307 L HA 0.181 4.521 4.340 -0.000 0.000 0.255 307 L C 0.180 177.021 176.870 -0.048 0.000 1.247 307 L CA -0.309 54.504 54.840 -0.046 0.000 1.038 307 L CB -0.234 41.784 42.059 -0.068 0.000 1.380 307 L HN 0.054 nan 8.230 nan 0.000 0.548 308 H N -0.640 118.385 119.070 -0.075 0.000 2.742 308 H HA 0.114 4.670 4.556 -0.000 0.000 0.302 308 H C 1.030 176.332 175.328 -0.044 0.000 1.069 308 H CA 0.452 56.486 56.048 -0.024 0.000 1.446 308 H CB 1.261 31.070 29.762 0.078 0.000 1.462 308 H HN 0.007 nan 8.280 nan 0.000 0.499 309 T N 1.739 116.128 114.554 -0.277 0.000 2.955 309 T HA 0.099 4.449 4.350 -0.000 0.000 0.251 309 T C 0.627 175.207 174.700 -0.200 0.000 1.002 309 T CA 0.189 62.188 62.100 -0.167 0.000 0.970 309 T CB -0.001 68.786 68.868 -0.135 0.000 1.091 309 T HN 0.506 nan 8.240 nan 0.000 0.495 310 S N 0.716 116.175 115.700 -0.402 0.000 2.564 310 S HA 0.297 4.767 4.470 -0.000 0.000 0.278 310 S C 1.082 175.595 174.600 -0.146 0.000 1.333 310 S CA -0.288 57.748 58.200 -0.273 0.000 1.048 310 S CB 1.147 64.148 63.200 -0.331 0.000 0.900 310 S HN 0.352 nan 8.310 nan 0.000 0.505 311 K N 2.271 122.521 120.400 -0.251 0.000 2.155 311 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 311 K C 0.755 177.101 176.600 -0.424 0.000 1.052 311 K CA 1.047 57.030 56.287 -0.506 0.000 0.948 311 K CB 0.034 31.855 32.500 -1.132 0.000 0.728 311 K HN 0.658 nan 8.250 nan 0.000 0.448 312 Q N -0.449 119.224 119.800 -0.212 0.000 2.312 312 Q HA 0.162 4.502 4.340 -0.000 0.000 0.236 312 Q C 0.726 176.761 176.000 0.058 0.000 0.965 312 Q CA -0.128 55.664 55.803 -0.019 0.000 0.894 312 Q CB 1.405 30.231 28.738 0.147 0.000 1.225 312 Q HN 0.055 nan 8.270 nan 0.000 0.478 313 R N 0.336 120.845 120.500 0.015 0.000 2.066 313 R HA 0.059 4.399 4.340 -0.000 0.000 0.224 313 R C 0.598 176.861 176.300 -0.062 0.000 1.122 313 R CA 0.541 56.595 56.100 -0.078 0.000 0.974 313 R CB 0.264 30.463 30.300 -0.167 0.000 0.871 313 R HN 0.525 nan 8.270 nan 0.000 0.435 314 S N -0.711 114.960 115.700 -0.049 0.000 2.687 314 S HA 0.207 4.677 4.470 -0.000 0.000 0.283 314 S C 0.823 175.270 174.600 -0.256 0.000 1.170 314 S CA -0.618 57.511 58.200 -0.120 0.000 1.008 314 S CB 1.305 64.504 63.200 -0.001 0.000 1.026 314 S HN 0.249 nan 8.310 nan 0.000 0.541 315 M N 2.790 122.041 119.600 -0.581 0.000 2.595 315 M HA 0.066 4.546 4.480 -0.000 0.000 0.248 315 M C 1.928 177.897 176.300 -0.552 0.000 1.119 315 M CA 0.302 55.147 55.300 -0.758 0.000 1.079 315 M CB -0.126 31.622 32.600 -1.419 0.000 1.472 315 M HN 0.727 nan 8.290 nan 0.000 0.501 316 M N -0.034 119.318 119.600 -0.413 0.000 2.108 316 M HA -0.235 4.245 4.480 -0.000 0.000 0.257 316 M C 0.390 176.439 176.300 -0.419 0.000 1.071 316 M CA 2.033 57.125 55.300 -0.346 0.000 1.093 316 M CB -0.065 32.215 32.600 -0.534 0.000 1.345 316 M HN 0.227 nan 8.290 nan 0.000 0.403 317 F N -0.695 119.280 119.950 0.040 0.000 2.647 317 F HA 0.303 4.830 4.527 -0.000 0.000 0.300 317 F C 0.294 176.107 175.800 0.022 0.000 1.106 317 F CA -0.136 57.893 58.000 0.047 0.000 1.313 317 F CB 0.036 39.077 39.000 0.068 0.000 1.007 317 F HN -0.112 nan 8.300 nan 0.000 0.536 318 R N 0.989 121.524 120.500 0.057 0.000 2.505 318 R HA 0.242 4.582 4.340 -0.000 0.000 0.284 318 R C -2.164 174.134 176.300 -0.004 0.000 1.324 318 R CA -1.371 54.737 56.100 0.015 0.000 1.432 318 R CB 0.659 30.919 30.300 -0.068 0.000 1.107 318 R HN 0.007 nan 8.270 nan 0.000 0.587 319 P HA -0.182 nan 4.420 nan 0.000 0.214 319 P C 1.253 178.583 177.300 0.051 0.000 1.163 319 P CA 1.194 64.331 63.100 0.061 0.000 0.883 319 P CB 0.213 31.955 31.700 0.069 0.000 0.788 320 L N -1.171 120.072 121.223 0.033 0.000 2.042 320 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 320 L C 2.395 179.273 176.870 0.015 0.000 1.076 320 L CA 1.705 56.561 54.840 0.027 0.000 0.749 320 L CB -1.384 40.684 42.059 0.015 0.000 0.893 320 L HN 0.009 nan 8.230 nan 0.000 0.432 321 S N -0.739 114.946 115.700 -0.025 0.000 2.383 321 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 321 S C 1.976 176.543 174.600 -0.056 0.000 1.026 321 S CA 1.036 59.193 58.200 -0.071 0.000 0.981 321 S CB -0.109 63.003 63.200 -0.146 0.000 0.818 321 S HN 0.427 nan 8.310 nan 0.000 0.472 322 Q N -0.120 119.663 119.800 -0.028 0.000 2.061 322 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 322 Q C 2.455 178.649 176.000 0.324 0.000 0.984 322 Q CA 1.696 57.578 55.803 0.133 0.000 0.846 322 Q CB -0.389 28.476 28.738 0.212 0.000 0.902 322 Q HN 0.565 nan 8.270 nan 0.000 0.421 323 C N 0.230 119.664 119.300 0.222 0.000 2.446 323 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 323 C C 2.541 177.634 174.990 0.171 0.000 1.275 323 C CA 0.401 59.550 59.018 0.219 0.000 1.727 323 C CB -0.955 26.864 27.740 0.131 0.000 2.010 323 C HN 0.492 nan 8.230 nan 0.000 0.486 324 L N -0.219 121.062 121.223 0.097 0.000 2.131 324 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 324 L C 2.394 179.280 176.870 0.026 0.000 1.092 324 L CA 1.456 56.321 54.840 0.042 0.000 0.759 324 L CB -0.641 41.419 42.059 0.001 0.000 0.903 324 L HN 0.357 nan 8.230 nan 0.000 0.435 325 F N -0.289 119.577 119.950 -0.141 0.000 2.113 325 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 325 F C 1.965 177.583 175.800 -0.303 0.000 1.103 325 F CA 1.374 59.194 58.000 -0.300 0.000 1.248 325 F CB -0.353 38.365 39.000 -0.470 0.000 0.999 325 F HN -0.043 nan 8.300 nan 0.000 0.475 326 W N 0.206 121.531 121.300 0.041 0.000 2.467 326 W HA 0.066 4.726 4.660 -0.000 0.000 0.275 326 W C 2.540 178.991 176.519 -0.114 0.000 1.239 326 W CA 1.077 58.377 57.345 -0.075 0.000 1.266 326 W CB -0.776 28.730 29.460 0.076 0.000 1.112 326 W HN 0.094 nan 8.180 nan 0.000 0.576 327 A N 0.266 123.152 122.820 0.110 0.000 1.908 327 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 327 A C 1.915 179.473 177.584 -0.045 0.000 1.181 327 A CA 1.721 53.781 52.037 0.037 0.000 0.627 327 A CB -0.945 18.074 19.000 0.032 0.000 0.818 327 A HN 0.290 nan 8.150 nan 0.000 0.445 328 L N -0.442 120.683 121.223 -0.163 0.000 2.056 328 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 328 L C 2.439 179.158 176.870 -0.251 0.000 1.078 328 L CA 1.644 56.347 54.840 -0.228 0.000 0.749 328 L CB -0.320 41.534 42.059 -0.342 0.000 0.901 328 L HN 0.165 nan 8.230 nan 0.000 0.433 329 V N -0.224 119.462 119.914 -0.380 0.000 2.270 329 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 329 V C 2.735 178.795 176.094 -0.057 0.000 1.043 329 V CA 1.691 63.837 62.300 -0.257 0.000 1.014 329 V CB -1.162 30.513 31.823 -0.247 0.000 0.645 329 V HN 0.580 nan 8.190 nan 0.000 0.447 330 A N -0.004 122.828 122.820 0.020 0.000 1.933 330 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 330 A C 2.023 179.629 177.584 0.038 0.000 1.175 330 A CA 2.250 54.312 52.037 0.042 0.000 0.628 330 A CB -0.733 18.302 19.000 0.058 0.000 0.814 330 A HN 0.637 nan 8.150 nan 0.000 0.444 331 D N -0.275 120.142 120.400 0.028 0.000 2.117 331 D HA -0.112 4.527 4.640 -0.000 0.000 0.197 331 D C 1.744 178.079 176.300 0.059 0.000 0.987 331 D CA 1.169 55.203 54.000 0.056 0.000 0.829 331 D CB -0.218 40.616 40.800 0.056 0.000 0.961 331 D HN 0.415 nan 8.370 nan 0.000 0.460 332 L N -0.251 120.976 121.223 0.006 0.000 2.201 332 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 332 L C 2.231 179.111 176.870 0.016 0.000 1.105 332 L CA 0.235 55.052 54.840 -0.039 0.000 0.775 332 L CB -0.259 41.682 42.059 -0.197 0.000 0.913 332 L HN 0.197 nan 8.230 nan 0.000 0.440 333 L N -0.685 120.559 121.223 0.034 0.000 2.141 333 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 333 L C 2.405 179.372 176.870 0.161 0.000 1.094 333 L CA 1.945 56.830 54.840 0.076 0.000 0.763 333 L CB -0.693 41.391 42.059 0.043 0.000 0.908 333 L HN 0.200 nan 8.230 nan 0.000 0.437 334 T N -0.518 114.144 114.554 0.180 0.000 2.701 334 T HA -0.174 4.176 4.350 -0.000 0.000 0.263 334 T C 1.980 176.847 174.700 0.279 0.000 1.040 334 T CA 1.725 64.019 62.100 0.323 0.000 1.147 334 T CB -0.546 68.476 68.868 0.257 0.000 0.865 334 T HN 0.278 nan 8.240 nan 0.000 0.426 335 L N 1.017 122.338 121.223 0.163 0.000 2.081 335 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 335 L C 2.914 179.865 176.870 0.135 0.000 1.080 335 L CA 1.332 56.239 54.840 0.112 0.000 0.754 335 L CB -1.347 40.778 42.059 0.109 0.000 0.893 335 L HN 0.319 nan 8.230 nan 0.000 0.433 336 T N -1.199 113.479 114.554 0.206 0.000 2.569 336 T HA -0.281 4.069 4.350 -0.000 0.000 0.263 336 T C 1.291 176.109 174.700 0.196 0.000 1.074 336 T CA 1.783 64.022 62.100 0.231 0.000 1.176 336 T CB -0.627 68.387 68.868 0.243 0.000 0.863 336 T HN 0.591 nan 8.240 nan 0.000 0.410 337 W N 2.113 123.425 121.300 0.020 0.000 2.304 337 W HA -0.170 4.490 4.660 -0.000 0.000 0.315 337 W C 1.759 178.213 176.519 -0.108 0.000 1.233 337 W CA 0.909 58.232 57.345 -0.036 0.000 1.261 337 W CB -0.682 28.753 29.460 -0.042 0.000 1.150 337 W HN 0.120 nan 8.180 nan 0.000 0.494 338 I N 1.314 121.580 120.570 -0.507 0.000 2.286 338 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 338 I C 2.553 178.426 176.117 -0.407 0.000 1.115 338 I CA 1.874 62.710 61.300 -0.773 0.000 1.392 338 I CB -1.858 35.827 38.000 -0.524 0.000 1.065 338 I HN 0.289 nan 8.210 nan 0.000 0.418 339 G N 0.615 109.322 108.800 -0.155 0.000 2.442 339 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 339 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 339 G C 1.510 176.449 174.900 0.065 0.000 1.141 339 G CA 0.795 45.904 45.100 0.015 0.000 0.763 339 G HN 0.509 nan 8.290 nan 0.000 0.554 340 G N -0.907 107.878 108.800 -0.026 0.000 3.279 340 G HA2 0.371 4.331 3.960 -0.000 0.000 0.230 340 G HA3 0.371 4.331 3.960 -0.000 0.000 0.230 340 G C 0.291 175.118 174.900 -0.122 0.000 1.230 340 G CA -0.077 45.009 45.100 -0.023 0.000 0.891 340 G HN 0.268 nan 8.290 nan 0.000 0.518 341 Q N 0.204 119.857 119.800 -0.245 0.000 2.413 341 Q HA 0.407 4.747 4.340 -0.000 0.000 0.276 341 Q C -2.495 173.419 176.000 -0.144 0.000 1.099 341 Q CA -2.129 53.474 55.803 -0.333 0.000 0.814 341 Q CB 2.688 30.837 28.738 -0.983 0.000 1.379 341 Q HN 0.044 nan 8.270 nan 0.000 0.436 342 P HA 0.080 nan 4.420 nan 0.000 0.272 342 P C 0.231 177.572 177.300 0.069 0.000 1.240 342 P CA -0.304 62.831 63.100 0.057 0.000 0.791 342 P CB 0.869 32.626 31.700 0.095 0.000 0.978 343 V N 0.837 120.770 119.914 0.032 0.000 3.351 343 V HA -0.011 4.109 4.120 -0.000 0.000 0.364 343 V C 0.888 177.002 176.094 0.034 0.000 1.219 343 V CA 0.613 62.921 62.300 0.013 0.000 1.382 343 V CB -1.806 29.994 31.823 -0.038 0.000 1.203 343 V HN 0.512 nan 8.190 nan 0.000 0.448 344 E N -0.336 119.905 120.200 0.069 0.000 2.359 344 E HA 0.197 4.547 4.350 -0.000 0.000 0.255 344 E C 1.417 178.000 176.600 -0.028 0.000 1.191 344 E CA -0.125 56.294 56.400 0.032 0.000 0.952 344 E CB 0.261 29.978 29.700 0.029 0.000 1.152 344 E HN 0.412 nan 8.360 nan 0.000 0.496 345 H N 1.801 120.813 119.070 -0.097 0.000 2.268 345 H HA -0.142 4.414 4.556 -0.000 0.000 0.288 345 H C -0.971 174.276 175.328 -0.135 0.000 1.088 345 H CA 2.612 58.597 56.048 -0.106 0.000 1.182 345 H CB -0.927 28.781 29.762 -0.090 0.000 1.348 345 H HN 0.355 nan 8.280 nan 0.000 0.499 346 P HA -0.124 nan 4.420 nan 0.000 0.223 346 P C 0.925 178.042 177.300 -0.306 0.000 1.151 346 P CA 1.293 63.965 63.100 -0.715 0.000 0.787 346 P CB -0.361 30.974 31.700 -0.607 0.000 0.788 347 Y N 0.124 120.280 120.300 -0.239 0.000 2.397 347 Y HA 0.057 4.607 4.550 -0.000 0.000 0.292 347 Y C 2.491 178.277 175.900 -0.190 0.000 1.115 347 Y CA -0.291 57.665 58.100 -0.240 0.000 1.208 347 Y CB -1.587 36.717 38.460 -0.259 0.000 1.046 347 Y HN -0.128 nan 8.280 nan 0.000 0.552 348 I N -1.220 119.343 120.570 -0.011 0.000 2.127 348 I HA -0.251 3.919 4.170 -0.000 0.000 0.241 348 I C 2.134 178.231 176.117 -0.033 0.000 1.075 348 I CA 2.032 63.314 61.300 -0.030 0.000 1.334 348 I CB -1.490 36.497 38.000 -0.022 0.000 1.040 348 I HN -0.050 nan 8.210 nan 0.000 0.405 349 T N 2.189 116.713 114.554 -0.050 0.000 2.643 349 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 349 T C 1.978 176.675 174.700 -0.003 0.000 1.045 349 T CA 2.207 64.290 62.100 -0.029 0.000 1.155 349 T CB -0.586 68.255 68.868 -0.045 0.000 0.863 349 T HN 0.600 nan 8.240 nan 0.000 0.420 350 I N 0.907 121.481 120.570 0.007 0.000 2.493 350 I HA 0.159 4.328 4.170 -0.000 0.000 0.254 350 I C 2.395 178.536 176.117 0.040 0.000 1.160 350 I CA 1.493 62.824 61.300 0.052 0.000 1.445 350 I CB -0.888 37.185 38.000 0.122 0.000 1.086 350 I HN 0.182 nan 8.210 nan 0.000 0.433 351 G N 0.076 108.872 108.800 -0.006 0.000 2.402 351 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 351 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 351 G C 1.617 176.512 174.900 -0.009 0.000 1.162 351 G CA 0.756 45.835 45.100 -0.035 0.000 0.777 351 G HN 0.549 nan 8.290 nan 0.000 0.539 352 Q N -0.787 119.010 119.800 -0.007 0.000 2.124 352 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 352 Q C 2.533 178.552 176.000 0.033 0.000 0.977 352 Q CA 0.750 56.556 55.803 0.006 0.000 0.850 352 Q CB -0.162 28.575 28.738 -0.002 0.000 0.901 352 Q HN 0.372 nan 8.270 nan 0.000 0.429 353 L N 0.092 121.337 121.223 0.038 0.000 2.027 353 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 353 L C 2.234 179.148 176.870 0.073 0.000 1.074 353 L CA 1.799 56.671 54.840 0.052 0.000 0.745 353 L CB -0.746 41.343 42.059 0.051 0.000 0.898 353 L HN 0.136 nan 8.230 nan 0.000 0.433 354 A N -1.670 121.197 122.820 0.079 0.000 1.940 354 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 354 A C 2.441 180.098 177.584 0.122 0.000 1.176 354 A CA 2.117 54.212 52.037 0.096 0.000 0.631 354 A CB -0.877 18.180 19.000 0.095 0.000 0.814 354 A HN 0.464 nan 8.150 nan 0.000 0.446 355 S N -0.385 115.385 115.700 0.117 0.000 2.351 355 S HA -0.174 4.296 4.470 -0.000 0.000 0.220 355 S C 1.939 176.721 174.600 0.304 0.000 1.035 355 S CA 1.610 59.922 58.200 0.187 0.000 1.031 355 S CB -0.691 62.590 63.200 0.135 0.000 0.928 355 S HN 0.383 nan 8.310 nan 0.000 0.433 356 V N 1.896 121.927 119.914 0.195 0.000 2.317 356 V HA -0.200 3.920 4.120 -0.000 0.000 0.251 356 V C 2.277 178.477 176.094 0.177 0.000 1.065 356 V CA 1.826 64.229 62.300 0.171 0.000 1.049 356 V CB -0.753 31.119 31.823 0.080 0.000 0.651 356 V HN 0.340 nan 8.190 nan 0.000 0.450 357 L N -0.825 120.481 121.223 0.137 0.000 2.046 357 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 357 L C 2.293 179.213 176.870 0.082 0.000 1.077 357 L CA 2.016 56.913 54.840 0.095 0.000 0.747 357 L CB -0.894 41.211 42.059 0.077 0.000 0.896 357 L HN 0.455 nan 8.230 nan 0.000 0.432 358 Y N -0.617 119.660 120.300 -0.039 0.000 2.081 358 Y HA -0.351 4.199 4.550 -0.000 0.000 0.280 358 Y C 2.148 177.888 175.900 -0.266 0.000 1.163 358 Y CA 2.291 60.278 58.100 -0.189 0.000 1.135 358 Y CB -0.565 37.726 38.460 -0.281 0.000 0.970 358 Y HN 0.216 nan 8.280 nan 0.000 0.498 359 F N -0.993 118.988 119.950 0.052 0.000 2.163 359 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 359 F C 2.235 177.976 175.800 -0.099 0.000 1.094 359 F CA 1.250 59.209 58.000 -0.068 0.000 1.290 359 F CB -0.919 38.046 39.000 -0.059 0.000 1.017 359 F HN 0.083 nan 8.300 nan 0.000 0.483 360 L N -0.706 120.581 121.223 0.106 0.000 2.141 360 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 360 L C 2.134 178.991 176.870 -0.021 0.000 1.094 360 L CA 0.943 55.804 54.840 0.036 0.000 0.763 360 L CB -0.466 41.616 42.059 0.038 0.000 0.908 360 L HN 0.076 nan 8.230 nan 0.000 0.437 361 L N -0.639 120.546 121.223 -0.064 0.000 2.005 361 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 361 L C 2.232 179.015 176.870 -0.144 0.000 1.072 361 L CA 1.883 56.661 54.840 -0.102 0.000 0.744 361 L CB -0.508 41.476 42.059 -0.124 0.000 0.895 361 L HN 0.203 nan 8.230 nan 0.000 0.433 362 I N -1.637 118.797 120.570 -0.226 0.000 2.233 362 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 362 I C 2.093 178.144 176.117 -0.109 0.000 1.093 362 I CA 0.713 61.881 61.300 -0.220 0.000 1.380 362 I CB -0.160 37.625 38.000 -0.358 0.000 1.067 362 I HN 0.172 nan 8.210 nan 0.000 0.413 363 L N -0.743 120.450 121.223 -0.050 0.000 2.395 363 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 363 L C 1.625 178.491 176.870 -0.006 0.000 1.130 363 L CA 1.264 56.112 54.840 0.012 0.000 0.826 363 L CB 0.289 42.393 42.059 0.075 0.000 0.941 363 L HN 0.019 nan 8.230 nan 0.000 0.451 364 V N -3.193 116.706 119.914 -0.024 0.000 3.261 364 V HA 0.037 4.157 4.120 -0.000 0.000 0.212 364 V C 1.549 177.623 176.094 -0.033 0.000 1.381 364 V CA 0.092 62.379 62.300 -0.021 0.000 1.322 364 V CB 0.318 32.135 31.823 -0.009 0.000 1.188 364 V HN 0.024 nan 8.190 nan 0.000 0.520 365 L N -0.017 121.182 121.223 -0.039 0.000 2.023 365 L HA -0.004 4.335 4.340 -0.000 0.000 0.205 365 L C 2.311 179.151 176.870 -0.050 0.000 1.073 365 L CA 2.353 57.170 54.840 -0.038 0.000 0.745 365 L CB -0.562 41.477 42.059 -0.032 0.000 0.900 365 L HN 0.271 nan 8.230 nan 0.000 0.435 366 M N -1.063 118.494 119.600 -0.071 0.000 2.175 366 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 366 M C -0.428 175.811 176.300 -0.100 0.000 1.063 366 M CA 1.629 56.877 55.300 -0.086 0.000 1.119 366 M CB -1.260 31.277 32.600 -0.104 0.000 1.377 366 M HN 0.082 nan 8.290 nan 0.000 0.415 367 P HA -0.082 nan 4.420 nan 0.000 0.222 367 P C 1.064 178.321 177.300 -0.072 0.000 1.147 367 P CA 1.249 64.293 63.100 -0.092 0.000 0.790 367 P CB -0.130 31.528 31.700 -0.069 0.000 0.780 368 T N -1.080 113.441 114.554 -0.055 0.000 2.894 368 T HA 0.021 4.371 4.350 -0.000 0.000 0.258 368 T C 1.912 176.588 174.700 -0.039 0.000 1.043 368 T CA 1.143 63.220 62.100 -0.039 0.000 1.141 368 T CB -0.827 68.026 68.868 -0.026 0.000 0.873 368 T HN -0.007 nan 8.240 nan 0.000 0.449 369 A N 1.644 124.437 122.820 -0.044 0.000 1.917 369 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 369 A C 2.578 180.133 177.584 -0.047 0.000 1.182 369 A CA 2.068 54.082 52.037 -0.039 0.000 0.633 369 A CB -1.447 17.528 19.000 -0.042 0.000 0.819 369 A HN 0.510 nan 8.150 nan 0.000 0.448 370 G N -1.376 107.374 108.800 -0.083 0.000 2.418 370 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 370 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 370 G C 1.575 176.435 174.900 -0.066 0.000 1.158 370 G CA 1.649 46.685 45.100 -0.106 0.000 0.771 370 G HN 0.444 nan 8.290 nan 0.000 0.545 371 T N 1.278 115.800 114.554 -0.054 0.000 2.708 371 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 371 T C 2.387 177.088 174.700 0.001 0.000 1.037 371 T CA 1.050 63.135 62.100 -0.025 0.000 1.146 371 T CB -0.153 68.701 68.868 -0.024 0.000 0.865 371 T HN 0.226 nan 8.240 nan 0.000 0.435 372 I N 0.894 121.463 120.570 -0.001 0.000 2.226 372 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 372 I C 2.634 178.769 176.117 0.029 0.000 1.100 372 I CA 1.370 62.677 61.300 0.013 0.000 1.374 372 I CB -0.308 37.696 38.000 0.006 0.000 1.057 372 I HN 0.308 nan 8.210 nan 0.000 0.413 373 E N 0.491 120.708 120.200 0.027 0.000 2.110 373 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 373 E C 1.829 178.494 176.600 0.108 0.000 0.988 373 E CA 1.137 57.569 56.400 0.053 0.000 0.804 373 E CB -0.166 29.557 29.700 0.037 0.000 0.745 373 E HN 0.460 nan 8.360 nan 0.000 0.458 374 N N 0.928 119.693 118.700 0.109 0.000 2.120 374 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 374 N C 1.477 177.100 175.510 0.187 0.000 1.024 374 N CA 1.043 54.208 53.050 0.193 0.000 0.852 374 N CB -0.043 38.501 38.487 0.096 0.000 1.003 374 N HN 0.092 nan 8.380 nan 0.000 0.424 375 K N 0.217 120.678 120.400 0.102 0.000 2.103 375 K HA 0.060 4.380 4.320 -0.000 0.000 0.204 375 K C 1.910 178.543 176.600 0.055 0.000 1.052 375 K CA 0.505 56.836 56.287 0.075 0.000 0.945 375 K CB -0.113 32.414 32.500 0.045 0.000 0.722 375 K HN 0.144 nan 8.250 nan 0.000 0.443 376 L N 0.777 122.029 121.223 0.049 0.000 2.141 376 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 376 L C 1.916 178.786 176.870 -0.000 0.000 1.094 376 L CA 0.872 55.727 54.840 0.024 0.000 0.763 376 L CB -0.127 41.947 42.059 0.026 0.000 0.908 376 L HN 0.139 nan 8.230 nan 0.000 0.437 377 L N -0.386 120.845 121.223 0.015 0.000 2.599 377 L HA -0.015 4.324 4.340 -0.000 0.000 0.230 377 L C 0.557 177.336 176.870 -0.152 0.000 1.141 377 L CA 0.150 54.931 54.840 -0.098 0.000 0.877 377 L CB -0.231 41.744 42.059 -0.141 0.000 1.009 377 L HN 0.217 nan 8.230 nan 0.000 0.447 378 K N -1.768 118.615 120.400 -0.029 0.000 3.071 378 K HA -0.227 4.093 4.320 -0.000 0.000 0.265 378 K C -0.129 176.503 176.600 0.054 0.000 1.060 378 K CA 0.391 56.674 56.287 -0.007 0.000 0.767 378 K CB -1.389 31.079 32.500 -0.053 0.000 1.241 378 K HN 0.262 nan 8.250 nan 0.000 0.486 379 W N 0.000 121.295 121.300 -0.008 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.341 57.345 -0.007 0.000 1.226 379 W CB 0.000 29.456 29.460 -0.006 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535