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 1sqx_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 0.000 174.707 174.700 0.012 0.000 1.109 2 T CA 0.000 62.106 62.100 0.011 0.000 1.349 2 T CB 0.000 68.874 68.868 0.011 0.000 0.612 3 N N 3.095 121.804 118.700 0.014 0.000 2.479 3 N HA 0.274 5.014 4.740 -0.000 0.000 0.285 3 N C 1.760 177.282 175.510 0.021 0.000 1.075 3 N CA -0.756 52.303 53.050 0.015 0.000 0.967 3 N CB 0.978 39.474 38.487 0.015 0.000 1.137 3 N HN 0.698 nan 8.380 nan 0.000 0.472 4 I N 1.194 121.773 120.570 0.016 0.000 2.286 4 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 4 I C 1.939 178.073 176.117 0.030 0.000 1.115 4 I CA 1.228 62.539 61.300 0.020 0.000 1.392 4 I CB -0.588 37.405 38.000 -0.012 0.000 1.065 4 I HN 0.537 nan 8.210 nan 0.000 0.418 5 R N 1.469 121.978 120.500 0.014 0.000 2.152 5 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 5 R C 2.099 178.422 176.300 0.039 0.000 1.117 5 R CA 1.240 57.352 56.100 0.019 0.000 0.981 5 R CB 0.090 30.394 30.300 0.006 0.000 0.870 5 R HN 0.464 nan 8.270 nan 0.000 0.451 6 K N -1.199 119.223 120.400 0.037 0.000 2.334 6 K HA 0.035 4.355 4.320 -0.000 0.000 0.195 6 K C 1.514 178.134 176.600 0.033 0.000 1.045 6 K CA 1.046 57.350 56.287 0.030 0.000 1.004 6 K CB 0.713 33.225 32.500 0.020 0.000 0.837 6 K HN 0.169 nan 8.250 nan 0.000 0.510 7 S N -1.295 114.435 115.700 0.050 0.000 2.649 7 S HA 0.013 4.483 4.470 -0.000 0.000 0.246 7 S C 0.248 174.881 174.600 0.054 0.000 1.057 7 S CA -0.380 57.843 58.200 0.040 0.000 1.051 7 S CB -0.228 62.990 63.200 0.031 0.000 1.018 7 S HN 0.268 nan 8.310 nan 0.000 0.569 8 H N 4.137 123.206 119.070 -0.002 0.000 2.848 8 H HA 0.332 4.888 4.556 -0.000 0.000 0.317 8 H C -2.023 173.304 175.328 -0.000 0.000 1.046 8 H CA -1.052 54.996 56.048 -0.001 0.000 1.470 8 H CB 1.038 30.800 29.762 -0.000 0.000 1.483 8 H HN -0.002 nan 8.280 nan 0.000 0.548 9 P HA -0.168 nan 4.420 nan 0.000 0.219 9 P C 1.303 178.522 177.300 -0.134 0.000 1.146 9 P CA 1.001 63.965 63.100 -0.227 0.000 0.808 9 P CB 0.335 31.885 31.700 -0.249 0.000 0.779 10 L N -2.112 119.034 121.223 -0.128 0.000 2.145 10 L HA 0.004 4.344 4.340 -0.000 0.000 0.201 10 L C 2.208 179.174 176.870 0.161 0.000 1.075 10 L CA 0.985 55.872 54.840 0.078 0.000 0.773 10 L CB -0.361 41.801 42.059 0.172 0.000 0.936 10 L HN -0.055 nan 8.230 nan 0.000 0.451 11 M N -0.488 119.290 119.600 0.296 0.000 2.200 11 M HA -0.190 4.290 4.480 -0.000 0.000 0.265 11 M C 2.029 178.390 176.300 0.102 0.000 1.066 11 M CA 1.262 56.665 55.300 0.172 0.000 1.127 11 M CB -0.896 31.785 32.600 0.135 0.000 1.379 11 M HN 0.133 nan 8.290 nan 0.000 0.420 12 K N 0.609 121.060 120.400 0.085 0.000 2.081 12 K HA -0.250 4.070 4.320 -0.000 0.000 0.222 12 K C 1.758 178.365 176.600 0.013 0.000 1.055 12 K CA 1.852 58.159 56.287 0.032 0.000 0.954 12 K CB -0.243 32.261 32.500 0.008 0.000 0.732 12 K HN 0.238 nan 8.250 nan 0.000 0.458 13 I N 0.623 121.207 120.570 0.024 0.000 2.226 13 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 13 I C 2.431 178.565 176.117 0.028 0.000 1.100 13 I CA 1.189 62.497 61.300 0.013 0.000 1.374 13 I CB -1.194 36.828 38.000 0.037 0.000 1.057 13 I HN 0.024 nan 8.210 nan 0.000 0.413 14 V N 1.479 121.457 119.914 0.106 0.000 2.358 14 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 14 V C 2.347 178.530 176.094 0.149 0.000 1.047 14 V CA 2.140 64.578 62.300 0.229 0.000 1.035 14 V CB -1.068 30.872 31.823 0.196 0.000 0.658 14 V HN 0.404 nan 8.190 nan 0.000 0.452 15 N N 1.047 119.783 118.700 0.060 0.000 2.142 15 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 15 N C 1.450 176.931 175.510 -0.048 0.000 1.023 15 N CA 1.414 54.479 53.050 0.025 0.000 0.852 15 N CB -0.233 38.267 38.487 0.023 0.000 0.998 15 N HN 0.406 nan 8.380 nan 0.000 0.424 16 N N -0.474 118.164 118.700 -0.104 0.000 2.461 16 N HA 0.090 4.830 4.740 -0.000 0.000 0.188 16 N C 0.548 175.803 175.510 -0.424 0.000 1.134 16 N CA 0.674 53.608 53.050 -0.193 0.000 0.878 16 N CB 0.239 38.639 38.487 -0.145 0.000 0.972 16 N HN 0.377 nan 8.380 nan 0.000 0.456 17 A N -1.145 121.371 122.820 -0.507 0.000 2.026 17 A HA 0.315 4.635 4.320 -0.000 0.000 0.201 17 A C 0.907 177.848 177.584 -1.070 0.000 1.318 17 A CA 0.187 51.643 52.037 -0.969 0.000 0.857 17 A CB 0.181 18.527 19.000 -1.091 0.000 0.939 17 A HN 0.131 nan 8.150 nan 0.000 0.476 18 F N -1.654 118.112 119.950 -0.307 0.000 2.817 18 F HA 0.446 4.973 4.527 -0.000 0.000 0.333 18 F C 1.247 177.072 175.800 0.041 0.000 1.085 18 F CA 0.009 57.810 58.000 -0.332 0.000 1.170 18 F CB 0.514 39.429 39.000 -0.141 0.000 1.066 18 F HN 0.065 nan 8.300 nan 0.000 0.564 19 I N -1.015 119.674 120.570 0.197 0.000 3.669 19 I HA 0.106 4.276 4.170 -0.000 0.000 0.255 19 I C 0.976 177.236 176.117 0.238 0.000 1.144 19 I CA 0.362 61.817 61.300 0.258 0.000 1.447 19 I CB 0.232 38.300 38.000 0.113 0.000 1.622 19 I HN -0.313 nan 8.210 nan 0.000 0.435 20 D N 1.139 121.611 120.400 0.119 0.000 2.339 20 D HA 0.144 4.784 4.640 -0.000 0.000 0.217 20 D C 0.569 176.914 176.300 0.074 0.000 1.050 20 D CA 0.045 54.103 54.000 0.096 0.000 0.856 20 D CB 0.226 41.055 40.800 0.048 0.000 0.922 20 D HN -0.002 nan 8.370 nan 0.000 0.518 21 L N 2.161 123.408 121.223 0.040 0.000 2.615 21 L HA 0.162 4.502 4.340 -0.000 0.000 0.271 21 L C -2.397 174.542 176.870 0.115 0.000 1.183 21 L CA -0.868 53.959 54.840 -0.021 0.000 0.933 21 L CB 0.228 42.163 42.059 -0.206 0.000 1.199 21 L HN -0.230 nan 8.230 nan 0.000 0.487 22 P HA 0.250 nan 4.420 nan 0.000 0.270 22 P C -1.139 176.235 177.300 0.123 0.000 1.242 22 P CA 0.031 63.191 63.100 0.101 0.000 0.768 22 P CB 0.920 32.653 31.700 0.054 0.000 0.820 23 A N 5.568 128.500 122.820 0.187 0.000 2.413 23 A HA 0.769 5.089 4.320 -0.000 0.000 0.307 23 A C -2.773 174.889 177.584 0.130 0.000 1.087 23 A CA -2.287 49.855 52.037 0.175 0.000 0.750 23 A CB 0.791 19.970 19.000 0.297 0.000 1.296 23 A HN 0.254 nan 8.150 nan 0.000 0.423 24 P HA 0.070 nan 4.420 nan 0.000 0.269 24 P C 0.902 178.224 177.300 0.036 0.000 1.209 24 P CA 0.236 63.322 63.100 -0.025 0.000 0.776 24 P CB 0.742 32.354 31.700 -0.147 0.000 0.876 25 S N 0.854 116.545 115.700 -0.015 0.000 2.584 25 S HA -0.146 4.324 4.470 -0.000 0.000 0.240 25 S C 1.135 175.707 174.600 -0.047 0.000 0.975 25 S CA 1.052 59.214 58.200 -0.063 0.000 0.949 25 S CB -0.990 62.146 63.200 -0.107 0.000 0.761 25 S HN 0.629 nan 8.310 nan 0.000 0.536 26 N N 0.228 118.904 118.700 -0.039 0.000 2.218 26 N HA 0.162 4.902 4.740 -0.000 0.000 0.224 26 N C -0.025 175.342 175.510 -0.238 0.000 1.248 26 N CA -0.067 52.904 53.050 -0.132 0.000 0.875 26 N CB 0.555 38.946 38.487 -0.160 0.000 1.165 26 N HN 0.532 nan 8.380 nan 0.000 0.485 27 I N 2.066 122.430 120.570 -0.342 0.000 2.529 27 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 27 I C 0.812 176.781 176.117 -0.245 0.000 1.082 27 I CA -0.659 60.224 61.300 -0.695 0.000 1.406 27 I CB 1.351 38.646 38.000 -1.174 0.000 1.405 27 I HN -0.034 nan 8.210 nan 0.000 0.548 28 S N 3.182 118.814 115.700 -0.115 0.000 2.646 28 S HA 0.284 4.754 4.470 -0.000 0.000 0.273 28 S C 1.120 175.863 174.600 0.239 0.000 1.168 28 S CA -0.271 58.008 58.200 0.132 0.000 1.013 28 S CB 1.082 64.425 63.200 0.239 0.000 1.098 28 S HN 0.709 nan 8.310 nan 0.000 0.544 29 S N -0.138 115.626 115.700 0.107 0.000 2.420 29 S HA -0.112 4.358 4.470 -0.000 0.000 0.237 29 S C 1.132 175.745 174.600 0.022 0.000 1.023 29 S CA 1.447 59.626 58.200 -0.036 0.000 0.991 29 S CB -0.647 62.426 63.200 -0.212 0.000 0.792 29 S HN 0.742 nan 8.310 nan 0.000 0.488 30 W N 0.309 121.862 121.300 0.423 0.000 2.525 30 W HA 0.046 4.706 4.660 -0.000 0.000 0.259 30 W C 1.655 178.390 176.519 0.360 0.000 1.253 30 W CA -0.285 57.350 57.345 0.483 0.000 1.262 30 W CB -0.208 29.485 29.460 0.387 0.000 1.122 30 W HN 0.369 nan 8.180 nan 0.000 0.607 31 W N 0.074 121.553 121.300 0.298 0.000 3.290 31 W HA 0.023 4.683 4.660 -0.000 0.000 0.287 31 W C 1.343 177.949 176.519 0.145 0.000 1.288 31 W CA 0.127 57.596 57.345 0.206 0.000 1.725 31 W CB -0.400 29.093 29.460 0.054 0.000 1.103 31 W HN -0.061 nan 8.180 nan 0.000 0.670 32 N N 0.450 119.247 118.700 0.161 0.000 2.396 32 N HA -0.114 4.626 4.740 -0.000 0.000 0.180 32 N C 1.212 176.624 175.510 -0.163 0.000 1.028 32 N CA 0.987 53.991 53.050 -0.078 0.000 0.893 32 N CB -0.440 37.873 38.487 -0.289 0.000 0.967 32 N HN 0.113 nan 8.380 nan 0.000 0.440 33 F N 1.056 121.127 119.950 0.201 0.000 2.365 33 F HA 0.031 4.558 4.527 -0.000 0.000 0.300 33 F C 2.494 178.310 175.800 0.027 0.000 1.090 33 F CA 0.553 58.647 58.000 0.157 0.000 1.408 33 F CB -0.751 38.408 39.000 0.264 0.000 1.060 33 F HN 0.009 nan 8.300 nan 0.000 0.534 34 G N -0.039 108.911 108.800 0.250 0.000 2.433 34 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 34 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 34 G C 1.847 176.784 174.900 0.063 0.000 1.186 34 G CA 1.204 46.371 45.100 0.113 0.000 0.779 34 G HN 0.430 nan 8.290 nan 0.000 0.543 35 S N 0.809 116.582 115.700 0.121 0.000 2.368 35 S HA -0.020 4.450 4.470 -0.000 0.000 0.225 35 S C 2.380 176.974 174.600 -0.009 0.000 1.030 35 S CA 1.214 59.471 58.200 0.095 0.000 0.999 35 S CB -0.493 62.800 63.200 0.156 0.000 0.844 35 S HN 0.280 nan 8.310 nan 0.000 0.459 36 L N 0.640 121.838 121.223 -0.043 0.000 2.079 36 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 36 L C 2.615 179.379 176.870 -0.175 0.000 1.081 36 L CA 1.108 55.893 54.840 -0.091 0.000 0.752 36 L CB -0.698 41.313 42.059 -0.080 0.000 0.896 36 L HN 0.314 nan 8.230 nan 0.000 0.433 37 L N -0.556 120.546 121.223 -0.201 0.000 2.093 37 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 37 L C 2.692 179.309 176.870 -0.421 0.000 1.085 37 L CA 1.290 55.891 54.840 -0.397 0.000 0.755 37 L CB -1.030 40.840 42.059 -0.316 0.000 0.904 37 L HN 0.280 nan 8.230 nan 0.000 0.435 38 G N 0.444 109.124 108.800 -0.201 0.000 2.421 38 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 38 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 38 G C 1.514 176.317 174.900 -0.161 0.000 1.171 38 G CA 0.592 45.614 45.100 -0.129 0.000 0.775 38 G HN 0.153 nan 8.290 nan 0.000 0.543 39 I N 1.041 121.519 120.570 -0.153 0.000 2.151 39 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 39 I C 2.997 178.987 176.117 -0.212 0.000 1.080 39 I CA 0.831 62.044 61.300 -0.144 0.000 1.339 39 I CB -1.495 36.441 38.000 -0.106 0.000 1.039 39 I HN 0.185 nan 8.210 nan 0.000 0.409 40 C N 0.434 119.515 119.300 -0.365 0.000 2.413 40 C HA -0.183 4.277 4.460 -0.000 0.000 0.276 40 C C 2.866 177.547 174.990 -0.516 0.000 1.248 40 C CA 0.563 59.250 59.018 -0.552 0.000 1.742 40 C CB -1.193 25.928 27.740 -1.031 0.000 2.017 40 C HN 0.496 nan 8.230 nan 0.000 0.481 41 L N 1.805 122.712 121.223 -0.528 0.000 2.017 41 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 41 L C 2.209 179.044 176.870 -0.058 0.000 1.073 41 L CA 2.144 56.909 54.840 -0.124 0.000 0.745 41 L CB -0.870 41.161 42.059 -0.048 0.000 0.894 41 L HN 0.555 nan 8.230 nan 0.000 0.432 42 I N -3.342 117.179 120.570 -0.081 0.000 2.500 42 I HA -0.110 4.060 4.170 -0.000 0.000 0.252 42 I C 2.280 178.384 176.117 -0.023 0.000 1.142 42 I CA 1.230 62.508 61.300 -0.036 0.000 1.451 42 I CB -0.524 37.463 38.000 -0.022 0.000 1.093 42 I HN 0.252 nan 8.210 nan 0.000 0.430 43 L N 0.971 122.166 121.223 -0.047 0.000 1.989 43 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 43 L C 2.583 179.477 176.870 0.040 0.000 1.071 43 L CA 1.888 56.716 54.840 -0.020 0.000 0.749 43 L CB -0.776 41.256 42.059 -0.045 0.000 0.890 43 L HN 0.270 nan 8.230 nan 0.000 0.431 44 Q N -0.166 119.657 119.800 0.038 0.000 2.124 44 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 44 Q C 2.390 178.462 176.000 0.120 0.000 0.977 44 Q CA 2.095 57.953 55.803 0.092 0.000 0.850 44 Q CB -0.440 28.341 28.738 0.072 0.000 0.901 44 Q HN 0.636 nan 8.270 nan 0.000 0.429 45 I N 0.050 120.621 120.570 0.002 0.000 2.179 45 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 45 I C 1.895 178.039 176.117 0.045 0.000 1.088 45 I CA 0.732 61.993 61.300 -0.066 0.000 1.357 45 I CB -0.162 37.774 38.000 -0.106 0.000 1.051 45 I HN 0.148 nan 8.210 nan 0.000 0.409 46 L N 0.164 121.441 121.223 0.090 0.000 2.044 46 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 46 L C 2.889 179.886 176.870 0.211 0.000 1.075 46 L CA 2.432 57.365 54.840 0.156 0.000 0.747 46 L CB -1.580 40.521 42.059 0.069 0.000 0.903 46 L HN 0.411 nan 8.230 nan 0.000 0.435 47 T N -3.587 111.047 114.554 0.133 0.000 2.708 47 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 47 T C 2.015 176.733 174.700 0.029 0.000 1.037 47 T CA 1.013 63.185 62.100 0.119 0.000 1.146 47 T CB -1.238 67.741 68.868 0.184 0.000 0.865 47 T HN 0.296 nan 8.240 nan 0.000 0.435 48 G N 1.491 110.271 108.800 -0.032 0.000 2.442 48 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 48 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 48 G C 1.478 176.283 174.900 -0.159 0.000 1.141 48 G CA 0.996 45.940 45.100 -0.261 0.000 0.763 48 G HN 0.475 nan 8.290 nan 0.000 0.554 49 L N -0.674 120.519 121.223 -0.050 0.000 2.017 49 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 49 L C 2.472 179.344 176.870 0.004 0.000 1.073 49 L CA 1.589 56.407 54.840 -0.037 0.000 0.745 49 L CB -0.381 41.707 42.059 0.048 0.000 0.894 49 L HN 0.196 nan 8.230 nan 0.000 0.432 50 F N -1.689 118.263 119.950 0.003 0.000 2.407 50 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 50 F C 1.987 177.855 175.800 0.113 0.000 1.097 50 F CA 0.399 58.436 58.000 0.061 0.000 1.422 50 F CB -0.297 38.727 39.000 0.040 0.000 1.067 50 F HN 0.037 nan 8.300 nan 0.000 0.539 51 L N -0.318 121.005 121.223 0.167 0.000 2.109 51 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 51 L C 2.588 179.565 176.870 0.178 0.000 1.086 51 L CA 1.578 56.479 54.840 0.102 0.000 0.760 51 L CB -1.906 40.084 42.059 -0.115 0.000 0.910 51 L HN 0.102 nan 8.230 nan 0.000 0.437 52 A N -1.110 121.815 122.820 0.176 0.000 2.070 52 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 52 A C 2.277 180.030 177.584 0.282 0.000 1.159 52 A CA 1.353 53.615 52.037 0.376 0.000 0.656 52 A CB -0.491 18.763 19.000 0.422 0.000 0.800 52 A HN 0.388 nan 8.150 nan 0.000 0.453 53 M N -1.374 118.287 119.600 0.101 0.000 2.460 53 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 53 M C 1.222 177.340 176.300 -0.303 0.000 1.071 53 M CA 1.099 56.317 55.300 -0.136 0.000 1.096 53 M CB -0.155 32.261 32.600 -0.307 0.000 1.408 53 M HN 0.541 nan 8.290 nan 0.000 0.463 54 H N -3.509 115.636 119.070 0.126 0.000 3.643 54 H HA 0.131 4.687 4.556 -0.000 0.000 0.256 54 H C -0.334 175.065 175.328 0.118 0.000 1.107 54 H CA -0.248 55.883 56.048 0.138 0.000 1.175 54 H CB 0.327 30.189 29.762 0.166 0.000 1.519 54 H HN 0.206 nan 8.280 nan 0.000 0.565 55 Y N 3.850 124.185 120.300 0.059 0.000 2.425 55 Y HA 0.190 4.740 4.550 -0.000 0.000 0.331 55 Y C 0.529 176.285 175.900 -0.240 0.000 1.157 55 Y CA -0.276 57.755 58.100 -0.115 0.000 1.372 55 Y CB 0.825 39.156 38.460 -0.214 0.000 1.253 55 Y HN -0.032 nan 8.280 nan 0.000 0.536 56 T N 1.776 115.758 114.554 -0.954 0.000 2.829 56 T HA 0.333 4.683 4.350 -0.000 0.000 0.280 56 T C 0.300 174.210 174.700 -1.317 0.000 0.999 56 T CA -0.293 61.281 62.100 -0.878 0.000 0.983 56 T CB 1.086 69.683 68.868 -0.453 0.000 0.968 56 T HN 0.714 nan 8.240 nan 0.000 0.446 57 S N 1.776 116.947 115.700 -0.881 0.000 2.622 57 S HA 0.175 4.645 4.470 -0.000 0.000 0.236 57 S C 0.021 174.372 174.600 -0.416 0.000 0.956 57 S CA -0.653 57.192 58.200 -0.591 0.000 0.971 57 S CB -0.327 62.747 63.200 -0.209 0.000 0.782 57 S HN 0.803 nan 8.310 nan 0.000 0.468 58 D N 1.781 121.920 120.400 -0.436 0.000 2.175 58 D HA 0.207 4.847 4.640 -0.000 0.000 0.248 58 D C 1.343 177.376 176.300 -0.445 0.000 1.047 58 D CA 0.097 53.872 54.000 -0.376 0.000 0.883 58 D CB 2.244 42.880 40.800 -0.274 0.000 1.180 58 D HN 0.318 nan 8.370 nan 0.000 0.438 59 T N -0.113 114.133 114.554 -0.515 0.000 2.803 59 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 59 T C 1.621 176.155 174.700 -0.277 0.000 1.052 59 T CA 1.602 63.323 62.100 -0.631 0.000 1.136 59 T CB -0.461 68.113 68.868 -0.490 0.000 0.864 59 T HN 0.432 nan 8.240 nan 0.000 0.467 60 T N 1.657 116.097 114.554 -0.191 0.000 2.962 60 T HA -0.032 4.318 4.350 -0.000 0.000 0.270 60 T C 2.027 176.682 174.700 -0.076 0.000 1.088 60 T CA 1.572 63.611 62.100 -0.102 0.000 1.127 60 T CB -0.504 68.306 68.868 -0.098 0.000 0.883 60 T HN 0.790 nan 8.240 nan 0.000 0.493 61 T N -2.190 112.289 114.554 -0.125 0.000 3.009 61 T HA 0.591 4.941 4.350 -0.000 0.000 0.267 61 T C 2.083 176.707 174.700 -0.127 0.000 0.942 61 T CA 0.317 62.349 62.100 -0.114 0.000 0.883 61 T CB -0.204 68.566 68.868 -0.164 0.000 1.192 61 T HN 0.243 nan 8.240 nan 0.000 0.524 62 A N 1.379 124.098 122.820 -0.169 0.000 1.877 62 A HA 0.118 4.438 4.320 -0.000 0.000 0.216 62 A C 1.856 179.485 177.584 0.075 0.000 1.186 62 A CA 1.318 53.251 52.037 -0.174 0.000 0.620 62 A CB -1.147 17.751 19.000 -0.171 0.000 0.822 62 A HN 0.447 nan 8.150 nan 0.000 0.443 63 F N 0.584 120.565 119.950 0.053 0.000 2.134 63 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 63 F C 2.774 178.610 175.800 0.060 0.000 1.097 63 F CA 1.799 59.850 58.000 0.085 0.000 1.264 63 F CB -0.180 38.880 39.000 0.100 0.000 1.001 63 F HN 0.208 nan 8.300 nan 0.000 0.479 64 S N -0.627 115.209 115.700 0.227 0.000 2.368 64 S HA -0.187 4.283 4.470 -0.000 0.000 0.224 64 S C 2.298 176.949 174.600 0.085 0.000 1.029 64 S CA 1.389 59.677 58.200 0.147 0.000 0.988 64 S CB -0.546 62.709 63.200 0.092 0.000 0.838 64 S HN 0.604 nan 8.310 nan 0.000 0.462 65 S N 0.944 116.661 115.700 0.028 0.000 2.382 65 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 65 S C 1.844 176.516 174.600 0.121 0.000 1.027 65 S CA 1.267 59.508 58.200 0.068 0.000 0.991 65 S CB -0.763 62.394 63.200 -0.072 0.000 0.823 65 S HN 0.303 nan 8.310 nan 0.000 0.469 66 V N 1.723 121.661 119.914 0.039 0.000 2.358 66 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 66 V C 2.989 179.030 176.094 -0.089 0.000 1.047 66 V CA 2.199 64.475 62.300 -0.040 0.000 1.035 66 V CB -1.274 30.459 31.823 -0.150 0.000 0.658 66 V HN 0.708 nan 8.190 nan 0.000 0.452 67 T N -1.170 113.330 114.554 -0.090 0.000 2.942 67 T HA -0.199 4.151 4.350 -0.000 0.000 0.265 67 T C 1.929 176.660 174.700 0.051 0.000 1.062 67 T CA 1.335 63.427 62.100 -0.015 0.000 1.139 67 T CB -0.423 68.458 68.868 0.023 0.000 0.883 67 T HN 0.728 nan 8.240 nan 0.000 0.468 68 H N 0.491 119.563 119.070 0.004 0.000 2.352 68 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 68 H C 2.175 177.496 175.328 -0.012 0.000 1.097 68 H CA 1.829 57.882 56.048 0.007 0.000 1.311 68 H CB -0.360 29.408 29.762 0.010 0.000 1.377 68 H HN 0.434 nan 8.280 nan 0.000 0.504 69 I N 0.474 120.875 120.570 -0.282 0.000 2.163 69 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 69 I C 2.789 178.813 176.117 -0.156 0.000 1.085 69 I CA 1.431 62.552 61.300 -0.298 0.000 1.347 69 I CB -0.279 37.637 38.000 -0.141 0.000 1.044 69 I HN 0.345 nan 8.210 nan 0.000 0.408 70 C N -0.062 119.209 119.300 -0.048 0.000 2.539 70 C HA 0.046 4.506 4.460 -0.000 0.000 0.268 70 C C 2.593 177.652 174.990 0.115 0.000 1.395 70 C CA 0.411 59.484 59.018 0.092 0.000 1.757 70 C CB -1.302 26.509 27.740 0.118 0.000 1.851 70 C HN 0.441 nan 8.230 nan 0.000 0.545 71 R N -0.318 120.199 120.500 0.030 0.000 2.215 71 R HA 0.086 4.426 4.340 -0.000 0.000 0.190 71 R C 1.193 177.490 176.300 -0.004 0.000 0.968 71 R CA 0.507 56.621 56.100 0.024 0.000 1.122 71 R CB -0.073 30.248 30.300 0.036 0.000 1.151 71 R HN 0.326 nan 8.270 nan 0.000 0.582 72 D N 0.431 120.792 120.400 -0.066 0.000 2.338 72 D HA 0.043 4.683 4.640 -0.000 0.000 0.224 72 D C 0.284 176.507 176.300 -0.128 0.000 0.967 72 D CA 0.552 54.514 54.000 -0.065 0.000 0.896 72 D CB 0.316 41.138 40.800 0.037 0.000 1.028 72 D HN -0.135 nan 8.370 nan 0.000 0.493 73 V N 3.195 122.934 119.914 -0.291 0.000 2.485 73 V HA -0.041 4.079 4.120 -0.000 0.000 0.287 73 V C -0.069 175.952 176.094 -0.122 0.000 1.022 73 V CA -0.296 61.834 62.300 -0.284 0.000 1.067 73 V CB -0.382 31.114 31.823 -0.545 0.000 0.967 73 V HN 0.125 nan 8.190 nan 0.000 0.479 74 N N 6.158 124.821 118.700 -0.060 0.000 2.332 74 N HA 0.023 4.763 4.740 -0.000 0.000 0.274 74 N C -0.099 175.434 175.510 0.037 0.000 1.351 74 N CA 0.110 53.133 53.050 -0.046 0.000 0.875 74 N CB -0.453 38.077 38.487 0.072 0.000 1.140 74 N HN 0.738 nan 8.380 nan 0.000 0.489 75 Y N -1.254 119.003 120.300 -0.072 0.000 4.604 75 Y HA -0.273 4.277 4.550 -0.000 0.000 0.230 75 Y C 1.856 177.485 175.900 -0.452 0.000 1.066 75 Y CA 0.554 58.414 58.100 -0.401 0.000 1.990 75 Y CB -1.879 36.362 38.460 -0.365 0.000 1.619 75 Y HN 0.733 nan 8.280 nan 0.000 0.649 76 G N 0.574 109.301 108.800 -0.122 0.000 2.450 76 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 76 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 76 G C 1.362 176.227 174.900 -0.060 0.000 1.130 76 G CA 0.985 46.016 45.100 -0.115 0.000 0.760 76 G HN 0.799 nan 8.290 nan 0.000 0.557 77 W N 2.040 123.341 121.300 0.001 0.000 2.355 77 W HA -0.078 4.582 4.660 -0.000 0.000 0.309 77 W C 2.055 178.672 176.519 0.164 0.000 1.206 77 W CA 1.162 58.559 57.345 0.086 0.000 1.284 77 W CB -1.234 28.330 29.460 0.173 0.000 1.145 77 W HN 0.327 nan 8.180 nan 0.000 0.502 78 I N 0.474 120.752 120.570 -0.486 0.000 2.179 78 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 78 I C 2.652 178.701 176.117 -0.113 0.000 1.088 78 I CA 1.788 62.897 61.300 -0.318 0.000 1.357 78 I CB -1.275 36.360 38.000 -0.608 0.000 1.051 78 I HN -0.153 nan 8.210 nan 0.000 0.409 79 I N 0.425 120.896 120.570 -0.166 0.000 2.163 79 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 79 I C 2.894 178.999 176.117 -0.021 0.000 1.085 79 I CA 1.382 62.630 61.300 -0.086 0.000 1.347 79 I CB -0.557 37.393 38.000 -0.084 0.000 1.044 79 I HN 0.281 nan 8.210 nan 0.000 0.408 80 R N 0.730 121.178 120.500 -0.087 0.000 2.073 80 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 80 R C 2.209 178.427 176.300 -0.137 0.000 1.134 80 R CA 1.993 57.984 56.100 -0.181 0.000 0.952 80 R CB -0.405 29.659 30.300 -0.393 0.000 0.850 80 R HN 0.336 nan 8.270 nan 0.000 0.433 81 Y N -0.406 119.993 120.300 0.165 0.000 2.490 81 Y HA 0.093 4.643 4.550 -0.000 0.000 0.285 81 Y C 2.360 178.349 175.900 0.150 0.000 1.117 81 Y CA 0.512 58.720 58.100 0.180 0.000 1.262 81 Y CB -0.260 38.327 38.460 0.211 0.000 1.043 81 Y HN -0.044 nan 8.280 nan 0.000 0.553 82 M N -1.059 118.675 119.600 0.223 0.000 2.086 82 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 82 M C 2.093 178.487 176.300 0.157 0.000 1.067 82 M CA 1.936 57.323 55.300 0.146 0.000 1.116 82 M CB -0.492 32.148 32.600 0.066 0.000 1.348 82 M HN 0.318 nan 8.290 nan 0.000 0.407 83 H N 0.153 119.267 119.070 0.075 0.000 2.319 83 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 83 H C 1.920 177.329 175.328 0.134 0.000 1.092 83 H CA 2.425 58.523 56.048 0.083 0.000 1.302 83 H CB -0.080 29.711 29.762 0.049 0.000 1.373 83 H HN 0.368 nan 8.280 nan 0.000 0.497 84 A N 0.292 123.238 122.820 0.211 0.000 1.877 84 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 84 A C 2.203 179.922 177.584 0.226 0.000 1.186 84 A CA 1.796 53.969 52.037 0.228 0.000 0.620 84 A CB -0.319 18.876 19.000 0.324 0.000 0.822 84 A HN 0.523 nan 8.150 nan 0.000 0.443 85 N N -0.195 118.646 118.700 0.234 0.000 2.416 85 N HA -0.038 4.702 4.740 -0.000 0.000 0.177 85 N C 1.763 177.384 175.510 0.185 0.000 1.036 85 N CA 1.047 54.234 53.050 0.227 0.000 0.901 85 N CB -0.433 38.183 38.487 0.215 0.000 0.976 85 N HN 0.474 nan 8.380 nan 0.000 0.444 86 G N 0.808 109.683 108.800 0.125 0.000 2.408 86 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 86 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 86 G C 1.650 176.621 174.900 0.119 0.000 1.150 86 G CA 0.937 46.087 45.100 0.085 0.000 0.776 86 G HN 0.377 nan 8.290 nan 0.000 0.542 87 A N 0.671 123.541 122.820 0.083 0.000 1.933 87 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 87 A C 2.680 180.366 177.584 0.171 0.000 1.175 87 A CA 2.256 54.349 52.037 0.093 0.000 0.628 87 A CB -0.572 18.445 19.000 0.029 0.000 0.814 87 A HN 0.304 nan 8.150 nan 0.000 0.444 88 S N -0.874 115.001 115.700 0.292 0.000 2.387 88 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 88 S C 2.021 176.923 174.600 0.503 0.000 1.026 88 S CA 1.443 59.959 58.200 0.527 0.000 0.972 88 S CB -0.284 63.374 63.200 0.763 0.000 0.814 88 S HN 0.441 nan 8.310 nan 0.000 0.477 89 M N 0.475 120.265 119.600 0.317 0.000 2.108 89 M HA -0.023 4.457 4.480 -0.000 0.000 0.261 89 M C 1.740 178.151 176.300 0.184 0.000 1.066 89 M CA 1.182 56.618 55.300 0.227 0.000 1.107 89 M CB -1.526 31.153 32.600 0.131 0.000 1.356 89 M HN 0.276 nan 8.290 nan 0.000 0.406 90 F N -0.104 119.824 119.950 -0.036 0.000 2.154 90 F HA -0.233 4.294 4.527 -0.000 0.000 0.301 90 F C 2.027 177.579 175.800 -0.412 0.000 1.087 90 F CA 1.460 59.321 58.000 -0.231 0.000 1.274 90 F CB -0.563 38.232 39.000 -0.341 0.000 1.009 90 F HN 0.018 nan 8.300 nan 0.000 0.485 91 F N -0.679 119.221 119.950 -0.084 0.000 2.234 91 F HA -0.054 4.473 4.527 -0.000 0.000 0.296 91 F C 2.272 177.935 175.800 -0.227 0.000 1.089 91 F CA 0.906 58.653 58.000 -0.423 0.000 1.343 91 F CB -0.656 37.833 39.000 -0.852 0.000 1.040 91 F HN -0.169 nan 8.300 nan 0.000 0.498 92 I N -0.888 119.909 120.570 0.378 0.000 2.163 92 I HA -0.361 3.809 4.170 -0.000 0.000 0.243 92 I C 2.320 178.537 176.117 0.167 0.000 1.085 92 I CA 1.115 62.644 61.300 0.381 0.000 1.347 92 I CB -0.586 37.619 38.000 0.341 0.000 1.044 92 I HN 0.202 nan 8.210 nan 0.000 0.408 93 C N -0.216 119.167 119.300 0.139 0.000 2.446 93 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 93 C C 2.624 177.641 174.990 0.046 0.000 1.275 93 C CA 0.074 59.182 59.018 0.149 0.000 1.727 93 C CB -0.914 26.948 27.740 0.205 0.000 2.010 93 C HN 0.430 nan 8.230 nan 0.000 0.486 94 L N 0.167 121.363 121.223 -0.045 0.000 2.013 94 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 94 L C 2.337 179.264 176.870 0.095 0.000 1.073 94 L CA 2.077 56.872 54.840 -0.075 0.000 0.753 94 L CB -1.393 40.448 42.059 -0.363 0.000 0.890 94 L HN 0.344 nan 8.230 nan 0.000 0.432 95 Y N -2.070 118.298 120.300 0.113 0.000 2.243 95 Y HA -0.152 4.398 4.550 -0.000 0.000 0.293 95 Y C 2.538 178.463 175.900 0.041 0.000 1.124 95 Y CA 0.732 58.889 58.100 0.096 0.000 1.159 95 Y CB -0.843 37.711 38.460 0.155 0.000 1.008 95 Y HN 0.109 nan 8.280 nan 0.000 0.527 96 M N -0.827 118.834 119.600 0.101 0.000 2.082 96 M HA -0.251 4.229 4.480 -0.000 0.000 0.258 96 M C 2.145 178.453 176.300 0.014 0.000 1.069 96 M CA 1.967 57.199 55.300 -0.113 0.000 1.102 96 M CB -0.627 31.416 32.600 -0.929 0.000 1.336 96 M HN 0.284 nan 8.290 nan 0.000 0.404 97 H N -1.019 118.034 119.070 -0.028 0.000 2.357 97 H HA -0.076 4.480 4.556 -0.000 0.000 0.301 97 H C 1.778 177.185 175.328 0.131 0.000 1.082 97 H CA 1.914 58.029 56.048 0.112 0.000 1.342 97 H CB -0.028 29.820 29.762 0.142 0.000 1.389 97 H HN 0.155 nan 8.280 nan 0.000 0.511 98 V N -0.306 119.738 119.914 0.216 0.000 2.307 98 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 98 V C 2.700 178.932 176.094 0.230 0.000 1.045 98 V CA 1.831 64.243 62.300 0.188 0.000 1.024 98 V CB -1.143 30.780 31.823 0.166 0.000 0.651 98 V HN 0.705 nan 8.190 nan 0.000 0.449 99 G N -0.148 108.757 108.800 0.175 0.000 2.418 99 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 99 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 99 G C 1.725 176.676 174.900 0.085 0.000 1.158 99 G CA 0.802 46.018 45.100 0.194 0.000 0.771 99 G HN 0.299 nan 8.290 nan 0.000 0.545 100 R N 1.091 121.578 120.500 -0.022 0.000 2.094 100 R HA -0.088 4.252 4.340 -0.000 0.000 0.239 100 R C 2.733 179.037 176.300 0.006 0.000 1.137 100 R CA 2.100 58.158 56.100 -0.070 0.000 0.943 100 R CB -1.335 28.925 30.300 -0.067 0.000 0.850 100 R HN 0.296 nan 8.270 nan 0.000 0.433 101 G N 1.297 110.126 108.800 0.048 0.000 2.440 101 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 101 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 101 G C 1.707 176.707 174.900 0.166 0.000 1.154 101 G CA 0.733 45.936 45.100 0.173 0.000 0.767 101 G HN 0.365 nan 8.290 nan 0.000 0.552 102 L N -1.273 120.100 121.223 0.249 0.000 2.017 102 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 102 L C 2.570 179.441 176.870 0.002 0.000 1.073 102 L CA 1.526 56.495 54.840 0.214 0.000 0.745 102 L CB -0.292 41.949 42.059 0.303 0.000 0.894 102 L HN 0.325 nan 8.230 nan 0.000 0.432 103 Y N -0.890 119.114 120.300 -0.494 0.000 2.145 103 Y HA -0.317 4.233 4.550 -0.000 0.000 0.286 103 Y C 1.742 177.205 175.900 -0.728 0.000 1.145 103 Y CA 1.974 59.447 58.100 -1.045 0.000 1.148 103 Y CB -0.153 37.289 38.460 -1.696 0.000 0.981 103 Y HN 0.203 nan 8.280 nan 0.000 0.507 104 Y N -0.334 119.879 120.300 -0.145 0.000 2.466 104 Y HA 0.273 4.823 4.550 -0.000 0.000 0.272 104 Y C 1.689 177.427 175.900 -0.269 0.000 1.169 104 Y CA 0.239 58.274 58.100 -0.109 0.000 1.285 104 Y CB 0.123 38.655 38.460 0.121 0.000 1.078 104 Y HN 0.222 nan 8.280 nan 0.000 0.523 105 G N -0.452 108.135 108.800 -0.353 0.000 2.176 105 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.252 105 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.252 105 G C 1.176 175.435 174.900 -1.068 0.000 1.024 105 G CA 0.643 45.199 45.100 -0.907 0.000 0.755 105 G HN 0.354 nan 8.290 nan 0.000 0.507 106 S N -0.629 114.673 115.700 -0.663 0.000 2.453 106 S HA -0.028 4.441 4.470 -0.000 0.000 0.231 106 S C 1.959 176.255 174.600 -0.506 0.000 1.005 106 S CA 1.515 59.411 58.200 -0.506 0.000 0.949 106 S CB -0.375 62.759 63.200 -0.110 0.000 0.774 106 S HN 0.955 nan 8.310 nan 0.000 0.510 107 Y N 2.372 122.318 120.300 -0.590 0.000 2.465 107 Y HA -0.141 4.409 4.550 -0.000 0.000 0.289 107 Y C 2.259 177.832 175.900 -0.545 0.000 1.150 107 Y CA 1.049 58.591 58.100 -0.930 0.000 1.293 107 Y CB -2.127 35.183 38.460 -1.917 0.000 0.977 107 Y HN 0.283 nan 8.280 nan 0.000 0.556 108 T N -2.874 111.283 114.554 -0.661 0.000 2.929 108 T HA -0.144 4.206 4.350 -0.000 0.000 0.271 108 T C 0.330 174.911 174.700 -0.197 0.000 1.085 108 T CA 0.158 61.993 62.100 -0.442 0.000 1.125 108 T CB -0.979 67.523 68.868 -0.610 0.000 0.874 108 T HN 0.169 nan 8.240 nan 0.000 0.494 109 F N 2.562 122.460 119.950 -0.086 0.000 2.662 109 F HA 0.398 4.925 4.527 -0.000 0.000 0.343 109 F C 1.382 177.218 175.800 0.060 0.000 1.302 109 F CA -1.976 56.027 58.000 0.004 0.000 1.142 109 F CB -1.084 37.942 39.000 0.043 0.000 1.524 109 F HN 0.058 nan 8.300 nan 0.000 0.668 110 L N 0.524 121.859 121.223 0.187 0.000 2.013 110 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 110 L C 2.022 178.962 176.870 0.117 0.000 1.073 110 L CA 1.696 56.621 54.840 0.142 0.000 0.753 110 L CB -0.374 41.723 42.059 0.064 0.000 0.890 110 L HN 0.349 nan 8.230 nan 0.000 0.432 111 E N -0.576 119.596 120.200 -0.046 0.000 2.046 111 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 111 E C 2.135 178.652 176.600 -0.138 0.000 0.982 111 E CA 1.641 57.840 56.400 -0.336 0.000 0.800 111 E CB -0.302 28.750 29.700 -1.081 0.000 0.756 111 E HN 0.339 nan 8.360 nan 0.000 0.449 112 T N 0.810 115.394 114.554 0.051 0.000 2.652 112 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 112 T C 1.274 176.191 174.700 0.363 0.000 1.039 112 T CA 1.322 63.520 62.100 0.163 0.000 1.153 112 T CB -0.435 68.499 68.868 0.109 0.000 0.863 112 T HN 0.401 nan 8.240 nan 0.000 0.428 113 W N 2.306 123.718 121.300 0.187 0.000 2.354 113 W HA -0.164 4.496 4.660 0.000 0.000 0.315 113 W C 1.855 178.457 176.519 0.138 0.000 1.206 113 W CA 1.403 58.864 57.345 0.192 0.000 1.290 113 W CB -0.692 28.872 29.460 0.173 0.000 1.152 113 W HN 0.382 nan 8.180 nan 0.000 0.489 114 N N 0.199 119.037 118.700 0.230 0.000 2.166 114 N HA -0.222 4.518 4.740 -0.000 0.000 0.186 114 N C 1.730 177.235 175.510 -0.008 0.000 1.019 114 N CA 1.658 54.748 53.050 0.068 0.000 0.856 114 N CB -0.291 38.244 38.487 0.081 0.000 0.993 114 N HN -0.013 nan 8.380 nan 0.000 0.426 115 I N 0.924 121.521 120.570 0.047 0.000 2.252 115 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 115 I C 2.605 178.689 176.117 -0.054 0.000 1.102 115 I CA 1.098 62.433 61.300 0.057 0.000 1.385 115 I CB -1.712 36.408 38.000 0.201 0.000 1.064 115 I HN 0.174 nan 8.210 nan 0.000 0.414 116 G N 0.966 109.730 108.800 -0.059 0.000 2.469 116 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 116 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 116 G C 1.838 176.567 174.900 -0.284 0.000 1.150 116 G CA 1.138 46.086 45.100 -0.254 0.000 0.763 116 G HN 0.287 nan 8.290 nan 0.000 0.561 117 V N 1.742 121.464 119.914 -0.320 0.000 2.343 117 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 117 V C 2.824 178.835 176.094 -0.138 0.000 1.051 117 V CA 1.265 63.410 62.300 -0.257 0.000 1.036 117 V CB -0.384 31.298 31.823 -0.236 0.000 0.654 117 V HN 0.305 nan 8.190 nan 0.000 0.451 118 I N -0.186 120.320 120.570 -0.107 0.000 2.208 118 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 118 I C 2.407 178.468 176.117 -0.094 0.000 1.097 118 I CA 1.824 63.080 61.300 -0.073 0.000 1.363 118 I CB -1.228 36.747 38.000 -0.042 0.000 1.051 118 I HN 0.292 nan 8.210 nan 0.000 0.413 119 L N -0.099 121.043 121.223 -0.136 0.000 2.083 119 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 119 L C 2.598 179.370 176.870 -0.165 0.000 1.083 119 L CA 0.840 55.583 54.840 -0.161 0.000 0.752 119 L CB -0.598 41.324 42.059 -0.229 0.000 0.899 119 L HN 0.216 nan 8.230 nan 0.000 0.433 120 L N -0.226 120.909 121.223 -0.146 0.000 1.994 120 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 120 L C 2.320 179.158 176.870 -0.053 0.000 1.071 120 L CA 1.812 56.589 54.840 -0.104 0.000 0.745 120 L CB -0.451 41.582 42.059 -0.044 0.000 0.892 120 L HN 0.087 nan 8.230 nan 0.000 0.431 121 L N -1.097 120.102 121.223 -0.041 0.000 2.083 121 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 121 L C 2.309 179.162 176.870 -0.030 0.000 1.083 121 L CA 1.814 56.642 54.840 -0.020 0.000 0.752 121 L CB -1.039 41.005 42.059 -0.025 0.000 0.899 121 L HN 0.333 nan 8.230 nan 0.000 0.433 122 T N -1.378 113.138 114.554 -0.064 0.000 2.777 122 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 122 T C 1.875 176.514 174.700 -0.102 0.000 1.040 122 T CA 1.326 63.382 62.100 -0.073 0.000 1.141 122 T CB -0.346 68.472 68.868 -0.083 0.000 0.868 122 T HN 0.168 nan 8.240 nan 0.000 0.444 123 V N 0.837 120.635 119.914 -0.193 0.000 2.667 123 V HA -0.033 4.087 4.120 -0.000 0.000 0.252 123 V C 2.218 178.242 176.094 -0.116 0.000 1.065 123 V CA 1.368 63.454 62.300 -0.356 0.000 1.083 123 V CB -0.504 30.857 31.823 -0.770 0.000 0.692 123 V HN 0.462 nan 8.190 nan 0.000 0.468 124 M N -0.386 119.272 119.600 0.096 0.000 2.099 124 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 124 M C 2.305 178.822 176.300 0.361 0.000 1.067 124 M CA 2.188 57.742 55.300 0.423 0.000 1.124 124 M CB -0.452 32.314 32.600 0.277 0.000 1.353 124 M HN 0.451 nan 8.290 nan 0.000 0.410 125 A N -0.447 122.485 122.820 0.185 0.000 1.902 125 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 125 A C 2.119 179.854 177.584 0.253 0.000 1.181 125 A CA 2.159 54.334 52.037 0.230 0.000 0.623 125 A CB -1.167 17.892 19.000 0.099 0.000 0.818 125 A HN 0.468 nan 8.150 nan 0.000 0.443 126 T N 0.376 115.015 114.554 0.141 0.000 2.684 126 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 126 T C 2.160 177.032 174.700 0.287 0.000 1.036 126 T CA 1.802 63.994 62.100 0.152 0.000 1.148 126 T CB -0.409 68.440 68.868 -0.032 0.000 0.863 126 T HN 0.594 nan 8.240 nan 0.000 0.436 127 A N 0.909 123.890 122.820 0.267 0.000 2.016 127 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 127 A C 1.960 179.748 177.584 0.339 0.000 1.162 127 A CA 0.903 53.107 52.037 0.278 0.000 0.662 127 A CB -0.806 18.360 19.000 0.276 0.000 0.812 127 A HN 0.511 nan 8.150 nan 0.000 0.450 128 F N 0.345 120.498 119.950 0.339 0.000 2.069 128 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 128 F C 2.039 178.001 175.800 0.270 0.000 1.113 128 F CA 2.288 60.495 58.000 0.345 0.000 1.214 128 F CB -0.596 38.576 39.000 0.285 0.000 0.978 128 F HN 0.189 nan 8.300 nan 0.000 0.474 129 M N 0.875 120.233 119.600 -0.404 0.000 2.080 129 M HA -0.099 4.381 4.480 -0.000 0.000 0.260 129 M C 2.483 178.601 176.300 -0.303 0.000 1.068 129 M CA 2.246 57.254 55.300 -0.487 0.000 1.109 129 M CB -1.182 31.261 32.600 -0.261 0.000 1.342 129 M HN 0.374 nan 8.290 nan 0.000 0.405 130 G N -1.580 106.923 108.800 -0.496 0.000 2.440 130 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 130 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 130 G C 1.301 176.119 174.900 -0.136 0.000 1.154 130 G CA 0.829 45.484 45.100 -0.743 0.000 0.767 130 G HN 0.450 nan 8.290 nan 0.000 0.552 131 Y N 1.122 121.366 120.300 -0.094 0.000 2.333 131 Y HA -0.054 4.496 4.550 -0.000 0.000 0.290 131 Y C 2.888 178.811 175.900 0.038 0.000 1.144 131 Y CA 0.641 58.743 58.100 0.005 0.000 1.228 131 Y CB -0.108 38.392 38.460 0.067 0.000 0.985 131 Y HN 0.057 nan 8.280 nan 0.000 0.542 132 V N 0.042 120.015 119.914 0.098 0.000 2.594 132 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 132 V C 2.329 178.544 176.094 0.203 0.000 1.069 132 V CA 1.632 64.010 62.300 0.129 0.000 1.082 132 V CB -0.742 31.206 31.823 0.209 0.000 0.680 132 V HN 0.380 nan 8.190 nan 0.000 0.469 133 L N 0.680 121.957 121.223 0.091 0.000 2.017 133 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 133 L C 0.132 177.119 176.870 0.194 0.000 1.073 133 L CA 1.521 56.413 54.840 0.086 0.000 0.745 133 L CB -2.169 39.749 42.059 -0.235 0.000 0.894 133 L HN 0.382 nan 8.230 nan 0.000 0.432 134 P HA -0.236 nan 4.420 nan 0.000 0.234 134 P C 0.428 177.909 177.300 0.302 0.000 1.167 134 P CA 0.688 63.842 63.100 0.090 0.000 0.763 134 P CB -0.144 31.473 31.700 -0.139 0.000 0.835 135 W N 0.190 121.526 121.300 0.059 0.000 5.121 135 W HA -0.150 4.510 4.660 -0.000 0.000 0.372 135 W C 0.071 176.702 176.519 0.186 0.000 1.394 135 W CA 0.115 57.524 57.345 0.107 0.000 0.885 135 W CB -1.481 28.044 29.460 0.108 0.000 2.520 135 W HN -0.035 nan 8.180 nan 0.000 1.455 136 G N 0.619 109.517 108.800 0.164 0.000 2.563 136 G HA2 0.125 4.085 3.960 -0.000 0.000 0.283 136 G HA3 0.125 4.085 3.960 -0.000 0.000 0.283 136 G C 0.623 175.453 174.900 -0.117 0.000 1.309 136 G CA 0.079 45.230 45.100 0.085 0.000 1.022 136 G HN 0.245 nan 8.290 nan 0.000 0.501 137 Q N -0.929 118.846 119.800 -0.042 0.000 2.124 137 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 137 Q C 2.707 178.770 176.000 0.105 0.000 0.977 137 Q CA 1.083 56.899 55.803 0.022 0.000 0.850 137 Q CB -0.180 28.633 28.738 0.125 0.000 0.901 137 Q HN 0.443 nan 8.270 nan 0.000 0.429 138 M N -0.098 119.540 119.600 0.063 0.000 2.229 138 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 138 M C 2.143 178.458 176.300 0.024 0.000 1.063 138 M CA 0.993 56.355 55.300 0.103 0.000 1.114 138 M CB -1.119 31.573 32.600 0.153 0.000 1.387 138 M HN -0.020 nan 8.290 nan 0.000 0.420 139 S N 0.737 116.333 115.700 -0.173 0.000 2.359 139 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 139 S C 1.809 176.290 174.600 -0.199 0.000 1.035 139 S CA 1.313 59.411 58.200 -0.169 0.000 1.018 139 S CB -0.597 62.500 63.200 -0.172 0.000 0.876 139 S HN 0.418 nan 8.310 nan 0.000 0.448 140 F N 0.621 120.217 119.950 -0.589 0.000 2.113 140 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 140 F C 1.802 177.203 175.800 -0.665 0.000 1.103 140 F CA 1.174 58.619 58.000 -0.924 0.000 1.248 140 F CB -0.333 37.868 39.000 -1.333 0.000 0.999 140 F HN 0.217 nan 8.300 nan 0.000 0.475 141 W N -0.105 121.189 121.300 -0.011 0.000 2.476 141 W HA 0.136 4.796 4.660 -0.000 0.000 0.281 141 W C 2.606 179.141 176.519 0.027 0.000 1.230 141 W CA 0.814 58.160 57.345 0.002 0.000 1.287 141 W CB -1.171 28.325 29.460 0.061 0.000 1.108 141 W HN 0.075 nan 8.180 nan 0.000 0.567 142 G N 1.102 110.050 108.800 0.246 0.000 2.529 142 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.219 142 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.219 142 G C 1.687 176.831 174.900 0.406 0.000 1.177 142 G CA 1.925 47.208 45.100 0.305 0.000 0.773 142 G HN 0.306 nan 8.290 nan 0.000 0.573 143 A N 0.027 123.031 122.820 0.307 0.000 1.902 143 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 143 A C 2.561 180.316 177.584 0.286 0.000 1.181 143 A CA 2.544 54.805 52.037 0.374 0.000 0.623 143 A CB -0.962 17.995 19.000 -0.072 0.000 0.818 143 A HN 0.349 nan 8.150 nan 0.000 0.443 144 T N -0.300 114.266 114.554 0.021 0.000 2.643 144 T HA -0.139 4.211 4.350 -0.000 0.000 0.264 144 T C 1.895 176.797 174.700 0.336 0.000 1.045 144 T CA 1.755 63.968 62.100 0.189 0.000 1.155 144 T CB -0.646 68.296 68.868 0.124 0.000 0.863 144 T HN 0.140 nan 8.240 nan 0.000 0.420 145 V N 1.147 121.208 119.914 0.247 0.000 2.270 145 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 145 V C 2.460 178.589 176.094 0.058 0.000 1.043 145 V CA 1.514 63.910 62.300 0.161 0.000 1.014 145 V CB -0.616 31.284 31.823 0.128 0.000 0.645 145 V HN 0.421 nan 8.190 nan 0.000 0.447 146 I N -0.220 120.335 120.570 -0.025 0.000 2.252 146 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 146 I C 2.530 178.534 176.117 -0.187 0.000 1.102 146 I CA 1.715 62.851 61.300 -0.273 0.000 1.385 146 I CB -0.534 36.989 38.000 -0.795 0.000 1.064 146 I HN 0.293 nan 8.210 nan 0.000 0.414 147 T N 0.416 114.998 114.554 0.047 0.000 2.788 147 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 147 T C 1.712 176.351 174.700 -0.101 0.000 1.044 147 T CA 1.176 63.321 62.100 0.074 0.000 1.139 147 T CB -0.286 68.743 68.868 0.269 0.000 0.867 147 T HN 0.263 nan 8.240 nan 0.000 0.454 148 N N 1.119 119.794 118.700 -0.041 0.000 2.520 148 N HA 0.062 4.802 4.740 -0.000 0.000 0.185 148 N C 1.669 177.142 175.510 -0.062 0.000 1.068 148 N CA 0.379 53.385 53.050 -0.073 0.000 0.911 148 N CB -0.306 38.222 38.487 0.069 0.000 0.961 148 N HN 0.416 nan 8.380 nan 0.000 0.446 149 L N 0.217 121.401 121.223 -0.065 0.000 2.127 149 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 149 L C 2.007 178.840 176.870 -0.061 0.000 1.089 149 L CA 0.770 55.570 54.840 -0.066 0.000 0.757 149 L CB -0.404 41.597 42.059 -0.097 0.000 0.899 149 L HN 0.126 nan 8.230 nan 0.000 0.434 150 L N -0.326 120.854 121.223 -0.072 0.000 2.131 150 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 150 L C 2.751 179.588 176.870 -0.055 0.000 1.092 150 L CA 1.416 56.221 54.840 -0.057 0.000 0.759 150 L CB -0.682 41.345 42.059 -0.052 0.000 0.903 150 L HN 0.381 nan 8.230 nan 0.000 0.435 151 S N -0.121 115.535 115.700 -0.073 0.000 2.537 151 S HA -0.081 4.389 4.470 -0.000 0.000 0.240 151 S C 1.926 176.511 174.600 -0.026 0.000 0.981 151 S CA 0.706 58.873 58.200 -0.055 0.000 0.948 151 S CB -0.244 62.920 63.200 -0.060 0.000 0.759 151 S HN 0.352 nan 8.310 nan 0.000 0.531 152 A N 1.013 123.819 122.820 -0.025 0.000 2.123 152 A HA 0.400 4.720 4.320 -0.000 0.000 0.214 152 A C 0.852 178.430 177.584 -0.010 0.000 1.152 152 A CA -0.135 51.892 52.037 -0.016 0.000 0.728 152 A CB -0.546 18.442 19.000 -0.020 0.000 0.814 152 A HN 0.616 nan 8.150 nan 0.000 0.464 153 I N 2.024 122.588 120.570 -0.010 0.000 2.581 153 I HA 0.093 4.263 4.170 -0.000 0.000 0.285 153 I C -2.289 173.841 176.117 0.021 0.000 1.129 153 I CA -1.510 59.792 61.300 0.003 0.000 1.397 153 I CB 0.486 38.487 38.000 0.002 0.000 1.399 153 I HN 0.063 nan 8.210 nan 0.000 0.537 154 P HA -0.008 nan 4.420 nan 0.000 0.269 154 P C 0.033 177.428 177.300 0.157 0.000 1.209 154 P CA 0.232 63.374 63.100 0.071 0.000 0.776 154 P CB 0.359 32.090 31.700 0.052 0.000 0.876 155 Y N 2.710 123.001 120.300 -0.015 0.000 2.865 155 Y HA -0.349 4.201 4.550 -0.000 0.000 0.480 155 Y C 0.872 176.764 175.900 -0.013 0.000 1.252 155 Y CA 2.544 60.636 58.100 -0.013 0.000 2.596 155 Y CB -2.055 36.395 38.460 -0.017 0.000 0.917 155 Y HN 0.313 nan 8.280 nan 0.000 0.522 156 I N -1.716 118.840 120.570 -0.024 0.000 4.227 156 I HA 0.565 4.735 4.170 -0.000 0.000 0.334 156 I C 1.981 178.060 176.117 -0.062 0.000 1.341 156 I CA 0.749 61.983 61.300 -0.110 0.000 1.123 156 I CB -0.094 37.876 38.000 -0.051 0.000 1.097 156 I HN 0.253 nan 8.210 nan 0.000 0.399 157 G N 1.514 110.295 108.800 -0.031 0.000 2.442 157 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 157 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 157 G C 1.434 176.305 174.900 -0.048 0.000 1.141 157 G CA 1.765 46.846 45.100 -0.031 0.000 0.763 157 G HN 0.402 nan 8.290 nan 0.000 0.554 158 T N 1.254 115.782 114.554 -0.044 0.000 2.674 158 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 158 T C 2.234 176.929 174.700 -0.008 0.000 1.039 158 T CA 1.459 63.539 62.100 -0.032 0.000 1.150 158 T CB -0.468 68.395 68.868 -0.008 0.000 0.864 158 T HN 0.430 nan 8.240 nan 0.000 0.427 159 N N 0.938 119.633 118.700 -0.009 0.000 2.132 159 N HA -0.099 4.641 4.740 -0.000 0.000 0.191 159 N C 1.570 177.125 175.510 0.075 0.000 1.015 159 N CA 0.724 53.787 53.050 0.021 0.000 0.864 159 N CB -0.294 38.163 38.487 -0.050 0.000 1.006 159 N HN 0.097 nan 8.380 nan 0.000 0.430 160 L N 0.188 121.436 121.223 0.042 0.000 2.044 160 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 160 L C 2.018 178.956 176.870 0.113 0.000 1.075 160 L CA 1.102 56.017 54.840 0.127 0.000 0.747 160 L CB -0.535 41.559 42.059 0.058 0.000 0.903 160 L HN 0.029 nan 8.230 nan 0.000 0.435 161 V N -0.420 119.440 119.914 -0.090 0.000 2.295 161 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 161 V C 2.364 178.216 176.094 -0.404 0.000 1.049 161 V CA 1.878 63.936 62.300 -0.404 0.000 1.024 161 V CB -0.586 30.859 31.823 -0.630 0.000 0.648 161 V HN 0.497 nan 8.190 nan 0.000 0.447 162 E N -1.258 118.895 120.200 -0.077 0.000 2.150 162 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 162 E C 1.931 178.677 176.600 0.243 0.000 0.985 162 E CA 1.435 57.955 56.400 0.201 0.000 0.814 162 E CB -0.242 29.626 29.700 0.279 0.000 0.752 162 E HN 0.769 nan 8.360 nan 0.000 0.466 163 W N 2.147 123.472 121.300 0.041 0.000 2.355 163 W HA -0.180 4.480 4.660 -0.000 0.000 0.309 163 W C 2.091 178.685 176.519 0.125 0.000 1.206 163 W CA 1.820 59.204 57.345 0.066 0.000 1.284 163 W CB -0.203 29.279 29.460 0.036 0.000 1.145 163 W HN 0.134 nan 8.180 nan 0.000 0.502 164 I N -2.093 118.486 120.570 0.014 0.000 2.761 164 I HA -0.044 4.126 4.170 -0.000 0.000 0.261 164 I C 1.788 178.035 176.117 0.215 0.000 1.198 164 I CA 1.216 62.502 61.300 -0.023 0.000 1.482 164 I CB -0.865 37.183 38.000 0.081 0.000 1.100 164 I HN -0.085 nan 8.210 nan 0.000 0.445 165 W N 2.294 123.634 121.300 0.067 0.000 2.379 165 W HA 0.259 4.919 4.660 -0.000 0.000 0.307 165 W C 2.156 178.655 176.519 -0.035 0.000 1.200 165 W CA 1.766 59.121 57.345 0.017 0.000 1.297 165 W CB -1.096 28.387 29.460 0.038 0.000 1.140 165 W HN 0.448 nan 8.180 nan 0.000 0.507 166 G N -0.582 108.335 108.800 0.194 0.000 2.138 166 G HA2 0.206 4.166 3.960 -0.000 0.000 0.193 166 G HA3 0.206 4.166 3.960 -0.000 0.000 0.193 166 G C 0.374 175.291 174.900 0.027 0.000 0.998 166 G CA -0.016 45.121 45.100 0.062 0.000 0.668 166 G HN 0.858 nan 8.290 nan 0.000 0.516 167 G N -1.950 106.893 108.800 0.072 0.000 2.352 167 G HA2 0.466 4.426 3.960 -0.000 0.000 0.283 167 G HA3 0.466 4.426 3.960 -0.000 0.000 0.283 167 G C 0.132 175.112 174.900 0.133 0.000 1.308 167 G CA 0.243 45.300 45.100 -0.072 0.000 0.892 167 G HN 0.510 nan 8.290 nan 0.000 0.504 168 F N 1.679 121.740 119.950 0.186 0.000 2.407 168 F HA 0.293 4.820 4.527 -0.000 0.000 0.299 168 F C 1.839 177.754 175.800 0.190 0.000 1.097 168 F CA 0.694 58.829 58.000 0.224 0.000 1.422 168 F CB -0.132 38.951 39.000 0.138 0.000 1.067 168 F HN 0.587 nan 8.300 nan 0.000 0.539 169 S N -1.834 113.931 115.700 0.109 0.000 2.618 169 S HA 0.611 5.081 4.470 -0.000 0.000 0.277 169 S C -0.773 173.419 174.600 -0.680 0.000 1.138 169 S CA -1.182 56.771 58.200 -0.412 0.000 0.844 169 S CB 1.769 64.870 63.200 -0.166 0.000 1.127 169 S HN -0.215 nan 8.310 nan 0.000 0.474 170 V N 2.142 121.336 119.914 -1.200 0.000 2.617 170 V HA 0.258 4.378 4.120 -0.000 0.000 0.304 170 V C 0.264 176.253 176.094 -0.174 0.000 1.040 170 V CA 0.808 62.601 62.300 -0.845 0.000 1.149 170 V CB -0.383 30.719 31.823 -1.201 0.000 0.914 170 V HN 0.935 nan 8.190 nan 0.000 0.487 171 D N 1.950 122.328 120.400 -0.037 0.000 2.779 171 D HA 0.212 4.852 4.640 -0.000 0.000 0.331 171 D C 0.632 176.881 176.300 -0.086 0.000 1.331 171 D CA -0.788 53.225 54.000 0.023 0.000 0.866 171 D CB 1.685 42.460 40.800 -0.041 0.000 1.409 171 D HN 0.301 nan 8.370 nan 0.000 0.486 172 K N 0.325 120.648 120.400 -0.128 0.000 2.071 172 K HA -0.244 4.076 4.320 -0.000 0.000 0.217 172 K C 1.856 178.338 176.600 -0.197 0.000 1.054 172 K CA 2.299 58.463 56.287 -0.205 0.000 0.937 172 K CB -0.226 32.186 32.500 -0.147 0.000 0.719 172 K HN 0.358 nan 8.250 nan 0.000 0.454 173 A N 0.682 123.421 122.820 -0.134 0.000 1.933 173 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 173 A C 2.202 179.714 177.584 -0.121 0.000 1.175 173 A CA 2.108 54.080 52.037 -0.109 0.000 0.628 173 A CB -0.930 18.029 19.000 -0.068 0.000 0.814 173 A HN 0.359 nan 8.150 nan 0.000 0.444 174 T N 0.175 114.639 114.554 -0.149 0.000 2.708 174 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 174 T C 1.844 176.351 174.700 -0.321 0.000 1.037 174 T CA 1.226 63.186 62.100 -0.233 0.000 1.146 174 T CB -0.322 68.371 68.868 -0.290 0.000 0.865 174 T HN 0.315 nan 8.240 nan 0.000 0.435 175 L N 1.471 122.500 121.223 -0.325 0.000 2.093 175 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 175 L C 2.892 179.720 176.870 -0.071 0.000 1.085 175 L CA 1.941 56.616 54.840 -0.276 0.000 0.755 175 L CB -0.936 40.734 42.059 -0.650 0.000 0.904 175 L HN 0.513 nan 8.230 nan 0.000 0.435 176 T N -2.112 112.376 114.554 -0.111 0.000 2.821 176 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 176 T C 1.884 176.581 174.700 -0.004 0.000 1.046 176 T CA 1.159 63.245 62.100 -0.024 0.000 1.139 176 T CB -0.447 68.373 68.868 -0.080 0.000 0.871 176 T HN 0.499 nan 8.240 nan 0.000 0.454 177 R N -0.291 120.138 120.500 -0.119 0.000 2.115 177 R HA 0.095 4.435 4.340 -0.000 0.000 0.226 177 R C 1.908 177.971 176.300 -0.396 0.000 1.100 177 R CA 0.825 56.680 56.100 -0.409 0.000 0.980 177 R CB -0.785 29.194 30.300 -0.536 0.000 0.875 177 R HN 0.297 nan 8.270 nan 0.000 0.445 178 F N 0.722 120.541 119.950 -0.219 0.000 2.234 178 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 178 F C 1.997 177.884 175.800 0.145 0.000 1.087 178 F CA 0.376 58.377 58.000 0.001 0.000 1.340 178 F CB -0.604 38.417 39.000 0.035 0.000 1.031 178 F HN -0.031 nan 8.300 nan 0.000 0.500 179 F N 0.648 120.712 119.950 0.190 0.000 2.134 179 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 179 F C 2.289 178.222 175.800 0.222 0.000 1.097 179 F CA 1.205 59.338 58.000 0.222 0.000 1.264 179 F CB -0.889 38.275 39.000 0.273 0.000 1.001 179 F HN -0.086 nan 8.300 nan 0.000 0.479 180 A N 0.112 122.902 122.820 -0.049 0.000 1.873 180 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 180 A C 2.115 179.722 177.584 0.037 0.000 1.186 180 A CA 1.627 53.562 52.037 -0.170 0.000 0.616 180 A CB -1.428 17.435 19.000 -0.229 0.000 0.823 180 A HN 0.356 nan 8.150 nan 0.000 0.442 181 F N -0.367 119.601 119.950 0.030 0.000 2.126 181 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 181 F C 2.255 178.065 175.800 0.017 0.000 1.096 181 F CA 1.449 59.445 58.000 -0.006 0.000 1.255 181 F CB -1.449 37.494 39.000 -0.094 0.000 0.997 181 F HN 0.512 nan 8.300 nan 0.000 0.479 182 H N -1.242 117.915 119.070 0.144 0.000 2.457 182 H HA -0.133 4.423 4.556 -0.000 0.000 0.294 182 H C 2.026 177.393 175.328 0.065 0.000 1.064 182 H CA 1.176 57.267 56.048 0.073 0.000 1.330 182 H CB -0.360 29.451 29.762 0.082 0.000 1.395 182 H HN 0.113 nan 8.280 nan 0.000 0.541 183 F N -0.024 119.825 119.950 -0.168 0.000 2.098 183 F HA -0.065 4.462 4.527 -0.000 0.000 0.294 183 F C 2.415 178.217 175.800 0.002 0.000 1.107 183 F CA 1.399 59.289 58.000 -0.183 0.000 1.234 183 F CB -0.493 38.312 39.000 -0.324 0.000 1.002 183 F HN 0.263 nan 8.300 nan 0.000 0.472 184 I N -0.903 119.885 120.570 0.364 0.000 2.286 184 I HA -0.214 3.955 4.170 -0.000 0.000 0.245 184 I C 2.153 178.408 176.117 0.230 0.000 1.104 184 I CA 0.840 62.372 61.300 0.387 0.000 1.397 184 I CB -0.211 37.923 38.000 0.223 0.000 1.072 184 I HN 0.135 nan 8.210 nan 0.000 0.417 185 L N 2.020 123.284 121.223 0.067 0.000 2.081 185 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 185 L C -0.712 176.093 176.870 -0.109 0.000 1.080 185 L CA 2.267 57.096 54.840 -0.019 0.000 0.754 185 L CB -1.779 40.258 42.059 -0.038 0.000 0.893 185 L HN 0.154 nan 8.230 nan 0.000 0.433 186 P HA -0.150 nan 4.420 nan 0.000 0.218 186 P C 1.418 178.491 177.300 -0.377 0.000 1.148 186 P CA 1.463 64.332 63.100 -0.384 0.000 0.822 186 P CB -0.080 31.258 31.700 -0.604 0.000 0.784 187 F N -1.222 118.727 119.950 -0.002 0.000 2.163 187 F HA -0.034 4.493 4.527 -0.000 0.000 0.297 187 F C 2.281 178.090 175.800 0.017 0.000 1.094 187 F CA 0.807 58.819 58.000 0.019 0.000 1.290 187 F CB -1.456 37.569 39.000 0.041 0.000 1.017 187 F HN -0.192 nan 8.300 nan 0.000 0.483 188 I N 0.028 120.694 120.570 0.161 0.000 2.163 188 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 188 I C 2.331 178.471 176.117 0.038 0.000 1.085 188 I CA 1.446 62.796 61.300 0.083 0.000 1.347 188 I CB -0.545 37.488 38.000 0.054 0.000 1.044 188 I HN 0.074 nan 8.210 nan 0.000 0.408 189 I N -0.017 120.548 120.570 -0.008 0.000 2.118 189 I HA -0.390 3.780 4.170 -0.000 0.000 0.241 189 I C 2.701 178.822 176.117 0.007 0.000 1.070 189 I CA 1.762 63.044 61.300 -0.030 0.000 1.327 189 I CB -0.301 37.649 38.000 -0.083 0.000 1.034 189 I HN 0.280 nan 8.210 nan 0.000 0.405 190 M N 0.308 119.920 119.600 0.021 0.000 2.106 190 M HA -0.295 4.185 4.480 -0.000 0.000 0.259 190 M C 2.381 178.727 176.300 0.077 0.000 1.068 190 M CA 2.365 57.699 55.300 0.057 0.000 1.100 190 M CB -0.195 32.458 32.600 0.088 0.000 1.351 190 M HN 0.348 nan 8.290 nan 0.000 0.404 191 A N 0.258 123.128 122.820 0.084 0.000 1.902 191 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 191 A C 1.875 179.500 177.584 0.068 0.000 1.181 191 A CA 1.651 53.734 52.037 0.077 0.000 0.623 191 A CB -0.912 18.134 19.000 0.077 0.000 0.818 191 A HN 0.618 nan 8.150 nan 0.000 0.443 192 I N -0.299 120.306 120.570 0.058 0.000 2.439 192 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 192 I C 2.819 178.982 176.117 0.078 0.000 1.139 192 I CA 0.813 62.149 61.300 0.060 0.000 1.438 192 I CB -0.207 37.808 38.000 0.024 0.000 1.085 192 I HN 0.326 nan 8.210 nan 0.000 0.427 193 A N 0.522 123.378 122.820 0.062 0.000 1.972 193 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 193 A C 2.306 179.968 177.584 0.129 0.000 1.169 193 A CA 1.515 53.607 52.037 0.091 0.000 0.635 193 A CB -0.499 18.540 19.000 0.065 0.000 0.810 193 A HN 0.319 nan 8.150 nan 0.000 0.446 194 M N -0.944 118.712 119.600 0.092 0.000 2.132 194 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 194 M C 2.010 178.332 176.300 0.037 0.000 1.065 194 M CA 1.238 56.574 55.300 0.061 0.000 1.122 194 M CB -0.260 32.374 32.600 0.056 0.000 1.365 194 M HN 0.224 nan 8.290 nan 0.000 0.411 195 V N -0.923 119.039 119.914 0.080 0.000 2.427 195 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 195 V C 2.222 178.448 176.094 0.220 0.000 1.051 195 V CA 2.084 64.445 62.300 0.101 0.000 1.048 195 V CB -0.920 30.998 31.823 0.159 0.000 0.666 195 V HN 0.461 nan 8.190 nan 0.000 0.456 196 H N -0.025 119.117 119.070 0.120 0.000 2.289 196 H HA -0.196 4.360 4.556 -0.000 0.000 0.296 196 H C 1.939 177.283 175.328 0.026 0.000 1.091 196 H CA 2.028 58.145 56.048 0.115 0.000 1.274 196 H CB -0.166 29.643 29.762 0.079 0.000 1.364 196 H HN 0.184 nan 8.280 nan 0.000 0.490 197 L N -0.032 121.155 121.223 -0.060 0.000 2.141 197 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 197 L C 2.612 179.152 176.870 -0.550 0.000 1.094 197 L CA 1.258 55.877 54.840 -0.368 0.000 0.763 197 L CB -1.249 40.626 42.059 -0.308 0.000 0.908 197 L HN 0.418 nan 8.230 nan 0.000 0.437 198 L N -1.684 119.363 121.223 -0.294 0.000 2.027 198 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 198 L C 2.407 179.091 176.870 -0.311 0.000 1.074 198 L CA 1.421 56.081 54.840 -0.300 0.000 0.745 198 L CB -0.371 41.514 42.059 -0.289 0.000 0.898 198 L HN 0.054 nan 8.230 nan 0.000 0.433 199 F N -0.563 119.298 119.950 -0.147 0.000 2.202 199 F HA -0.228 4.299 4.527 -0.000 0.000 0.301 199 F C 2.176 177.837 175.800 -0.231 0.000 1.082 199 F CA 1.535 59.453 58.000 -0.136 0.000 1.313 199 F CB -0.652 38.307 39.000 -0.068 0.000 1.024 199 F HN 0.147 nan 8.300 nan 0.000 0.495 200 L N -0.419 120.705 121.223 -0.166 0.000 2.056 200 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 200 L C 2.278 179.008 176.870 -0.234 0.000 1.078 200 L CA 2.020 56.676 54.840 -0.306 0.000 0.749 200 L CB -0.892 40.968 42.059 -0.331 0.000 0.901 200 L HN 0.201 nan 8.230 nan 0.000 0.433 201 H N -1.537 117.421 119.070 -0.186 0.000 2.456 201 H HA -0.158 4.398 4.556 -0.000 0.000 0.296 201 H C 1.955 177.192 175.328 -0.152 0.000 1.079 201 H CA 0.717 56.661 56.048 -0.173 0.000 1.322 201 H CB 0.292 29.947 29.762 -0.179 0.000 1.388 201 H HN 0.387 nan 8.280 nan 0.000 0.538 202 E N 0.256 120.435 120.200 -0.035 0.000 2.130 202 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 202 E C 2.163 178.717 176.600 -0.076 0.000 0.998 202 E CA 2.119 58.489 56.400 -0.050 0.000 0.806 202 E CB 0.104 29.791 29.700 -0.023 0.000 0.738 202 E HN 0.598 nan 8.360 nan 0.000 0.459 203 T N -4.370 110.075 114.554 -0.181 0.000 2.990 203 T HA 0.433 4.783 4.350 -0.000 0.000 0.249 203 T C 1.064 175.684 174.700 -0.133 0.000 1.039 203 T CA 0.210 62.190 62.100 -0.200 0.000 1.036 203 T CB 0.249 68.837 68.868 -0.467 0.000 0.994 203 T HN 0.353 nan 8.240 nan 0.000 0.489 204 G N 1.230 109.949 108.800 -0.134 0.000 2.796 204 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.226 204 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.226 204 G C -0.273 174.617 174.900 -0.017 0.000 1.381 204 G CA -0.371 44.709 45.100 -0.033 0.000 0.867 204 G HN 0.593 nan 8.290 nan 0.000 0.552 205 S N -0.168 115.606 115.700 0.123 0.000 2.592 205 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 205 S C 1.002 175.836 174.600 0.389 0.000 1.326 205 S CA -0.014 58.357 58.200 0.284 0.000 1.024 205 S CB 0.780 64.121 63.200 0.235 0.000 0.921 205 S HN 0.794 nan 8.310 nan 0.000 0.527 206 N N 1.064 120.118 118.700 0.590 0.000 2.327 206 N HA 0.168 4.908 4.740 -0.000 0.000 0.257 206 N C -0.444 175.166 175.510 0.166 0.000 1.281 206 N CA -0.250 53.019 53.050 0.365 0.000 0.942 206 N CB 0.376 39.006 38.487 0.239 0.000 1.199 206 N HN 0.808 nan 8.380 nan 0.000 0.532 207 N N -1.373 117.311 118.700 -0.026 0.000 2.647 207 N HA 0.412 5.152 4.740 -0.000 0.000 0.266 207 N C -2.622 172.682 175.510 -0.343 0.000 1.373 207 N CA -1.162 51.592 53.050 -0.493 0.000 0.807 207 N CB 1.686 39.965 38.487 -0.346 0.000 1.513 207 N HN 0.133 nan 8.380 nan 0.000 0.505 208 P HA -0.218 nan 4.420 nan 0.000 0.217 208 P C 0.969 178.302 177.300 0.055 0.000 1.151 208 P CA 2.236 65.196 63.100 -0.232 0.000 0.849 208 P CB -0.099 31.504 31.700 -0.162 0.000 0.787 209 T N -5.632 108.916 114.554 -0.010 0.000 3.043 209 T HA 0.166 4.516 4.350 -0.000 0.000 0.263 209 T C 1.707 176.458 174.700 0.086 0.000 1.094 209 T CA 0.791 62.907 62.100 0.025 0.000 1.127 209 T CB -1.152 67.822 68.868 0.177 0.000 0.905 209 T HN 0.240 nan 8.240 nan 0.000 0.490 210 G N 1.392 110.236 108.800 0.074 0.000 2.175 210 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.265 210 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.265 210 G C 0.033 174.968 174.900 0.059 0.000 0.979 210 G CA 0.448 45.579 45.100 0.052 0.000 0.663 210 G HN 0.690 nan 8.290 nan 0.000 0.533 211 I N 1.100 121.724 120.570 0.091 0.000 2.428 211 I HA 0.424 4.594 4.170 -0.000 0.000 0.296 211 I C 1.177 177.326 176.117 0.053 0.000 0.985 211 I CA -0.502 60.849 61.300 0.084 0.000 1.260 211 I CB 1.760 39.832 38.000 0.120 0.000 1.389 211 I HN 0.147 nan 8.210 nan 0.000 0.484 212 S N 3.365 119.093 115.700 0.047 0.000 2.563 212 S HA -0.021 4.449 4.470 -0.000 0.000 0.294 212 S C 0.918 175.540 174.600 0.037 0.000 1.279 212 S CA 0.026 58.254 58.200 0.046 0.000 1.069 212 S CB 0.300 63.527 63.200 0.045 0.000 0.828 212 S HN 0.763 nan 8.310 nan 0.000 0.497 213 S N 2.501 118.220 115.700 0.032 0.000 2.602 213 S HA 0.237 4.707 4.470 -0.000 0.000 0.240 213 S C 0.427 175.039 174.600 0.019 0.000 0.992 213 S CA -0.508 57.701 58.200 0.016 0.000 0.971 213 S CB 0.244 63.440 63.200 -0.006 0.000 0.855 213 S HN 0.701 nan 8.310 nan 0.000 0.481 214 D N 1.861 122.277 120.400 0.026 0.000 2.310 214 D HA -0.002 4.638 4.640 -0.000 0.000 0.212 214 D C 1.633 177.944 176.300 0.019 0.000 0.965 214 D CA 0.455 54.470 54.000 0.025 0.000 0.879 214 D CB -0.016 40.800 40.800 0.027 0.000 0.921 214 D HN 0.333 nan 8.370 nan 0.000 0.510 215 V N 0.217 120.141 119.914 0.016 0.000 3.141 215 V HA -0.114 4.006 4.120 -0.000 0.000 0.265 215 V C 0.469 176.566 176.094 0.005 0.000 1.126 215 V CA 1.081 63.388 62.300 0.011 0.000 1.141 215 V CB -0.012 31.819 31.823 0.013 0.000 0.743 215 V HN 0.040 nan 8.190 nan 0.000 0.492 216 D N -0.307 120.095 120.400 0.003 0.000 3.407 216 D HA 0.129 4.769 4.640 -0.000 0.000 0.291 216 D C -0.190 176.105 176.300 -0.008 0.000 1.309 216 D CA -0.290 53.705 54.000 -0.009 0.000 0.747 216 D CB 0.207 40.996 40.800 -0.018 0.000 1.343 216 D HN 0.005 nan 8.370 nan 0.000 0.631 217 K N 0.756 121.162 120.400 0.009 0.000 2.185 217 K HA 0.528 4.848 4.320 -0.000 0.000 0.271 217 K C 0.592 177.209 176.600 0.028 0.000 1.013 217 K CA -0.483 55.822 56.287 0.030 0.000 0.943 217 K CB 1.472 34.000 32.500 0.047 0.000 0.998 217 K HN 0.466 nan 8.250 nan 0.000 0.468 218 I N -0.847 119.754 120.570 0.052 0.000 2.740 218 I HA 0.490 4.660 4.170 -0.000 0.000 0.303 218 I C -2.497 173.729 176.117 0.183 0.000 1.044 218 I CA -2.891 58.443 61.300 0.056 0.000 1.064 218 I CB 2.167 40.072 38.000 -0.159 0.000 1.249 218 I HN 0.255 nan 8.210 nan 0.000 0.433 219 P HA 0.004 nan 4.420 nan 0.000 0.268 219 P C 0.328 177.831 177.300 0.339 0.000 1.204 219 P CA 0.082 63.337 63.100 0.258 0.000 0.768 219 P CB 0.694 32.515 31.700 0.202 0.000 0.842 220 F N 2.451 122.555 119.950 0.256 0.000 2.154 220 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 220 F C 1.319 177.284 175.800 0.276 0.000 1.087 220 F CA 1.577 59.783 58.000 0.343 0.000 1.274 220 F CB -0.322 38.841 39.000 0.272 0.000 1.009 220 F HN 0.403 nan 8.300 nan 0.000 0.485 221 H N 0.803 120.034 119.070 0.268 0.000 2.467 221 H HA 0.289 4.845 4.556 -0.000 0.000 0.326 221 H C -1.969 173.309 175.328 -0.083 0.000 1.094 221 H CA -2.562 53.535 56.048 0.080 0.000 1.253 221 H CB 1.478 31.327 29.762 0.144 0.000 1.439 221 H HN -0.166 nan 8.280 nan 0.000 0.479 222 P HA 0.004 nan 4.420 nan 0.000 0.267 222 P C 0.314 177.240 177.300 -0.622 0.000 1.289 222 P CA 0.397 62.868 63.100 -1.048 0.000 0.866 222 P CB 0.307 31.412 31.700 -0.992 0.000 1.309 223 Y N -0.548 119.488 120.300 -0.440 0.000 2.153 223 Y HA -0.125 4.425 4.550 -0.000 0.000 0.289 223 Y C 2.072 177.552 175.900 -0.700 0.000 1.127 223 Y CA 1.607 59.356 58.100 -0.585 0.000 1.131 223 Y CB -1.370 36.641 38.460 -0.750 0.000 0.995 223 Y HN -0.110 nan 8.280 nan 0.000 0.505 224 Y N -0.441 119.659 120.300 -0.334 0.000 2.523 224 Y HA -0.040 4.510 4.550 -0.000 0.000 0.279 224 Y C 2.479 178.032 175.900 -0.578 0.000 1.139 224 Y CA 0.691 58.416 58.100 -0.625 0.000 1.296 224 Y CB -1.170 36.627 38.460 -1.104 0.000 1.045 224 Y HN 0.203 nan 8.280 nan 0.000 0.538 225 T N -1.807 112.593 114.554 -0.257 0.000 2.737 225 T HA -0.200 4.150 4.350 -0.000 0.000 0.265 225 T C 1.946 176.655 174.700 0.014 0.000 1.038 225 T CA 1.355 63.497 62.100 0.070 0.000 1.144 225 T CB -0.651 68.395 68.868 0.297 0.000 0.866 225 T HN 0.194 nan 8.240 nan 0.000 0.434 226 I N 1.443 121.968 120.570 -0.075 0.000 2.286 226 I HA 0.079 4.249 4.170 -0.000 0.000 0.245 226 I C 2.560 178.650 176.117 -0.046 0.000 1.104 226 I CA 1.209 62.469 61.300 -0.068 0.000 1.397 226 I CB -0.365 37.569 38.000 -0.110 0.000 1.072 226 I HN 0.154 nan 8.210 nan 0.000 0.417 227 K N 0.126 120.496 120.400 -0.050 0.000 2.147 227 K HA -0.213 4.107 4.320 -0.000 0.000 0.205 227 K C 1.579 178.193 176.600 0.023 0.000 1.049 227 K CA 1.772 58.058 56.287 -0.000 0.000 0.936 227 K CB -0.054 32.481 32.500 0.058 0.000 0.722 227 K HN 0.289 nan 8.250 nan 0.000 0.446 228 D N 0.291 120.718 120.400 0.045 0.000 2.149 228 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 228 D C 1.719 178.034 176.300 0.026 0.000 0.972 228 D CA 0.821 54.859 54.000 0.064 0.000 0.835 228 D CB 0.047 40.938 40.800 0.152 0.000 0.966 228 D HN 0.201 nan 8.370 nan 0.000 0.476 229 I N 0.187 120.768 120.570 0.019 0.000 2.179 229 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 229 I C 2.240 178.347 176.117 -0.016 0.000 1.088 229 I CA 0.544 61.845 61.300 0.001 0.000 1.357 229 I CB -0.109 37.891 38.000 -0.000 0.000 1.051 229 I HN 0.019 nan 8.210 nan 0.000 0.409 230 L N 1.004 122.215 121.223 -0.021 0.000 1.990 230 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 230 L C 2.387 179.232 176.870 -0.043 0.000 1.072 230 L CA 2.404 57.226 54.840 -0.030 0.000 0.755 230 L CB -1.324 40.717 42.059 -0.031 0.000 0.889 230 L HN 0.253 nan 8.230 nan 0.000 0.432 231 G N -1.301 107.466 108.800 -0.055 0.000 2.440 231 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.218 231 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.218 231 G C 1.598 176.445 174.900 -0.088 0.000 1.154 231 G CA 0.954 45.996 45.100 -0.097 0.000 0.767 231 G HN 0.671 nan 8.290 nan 0.000 0.552 232 A N 0.287 123.072 122.820 -0.058 0.000 1.933 232 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 232 A C 2.352 179.914 177.584 -0.038 0.000 1.175 232 A CA 1.623 53.631 52.037 -0.048 0.000 0.628 232 A CB -0.397 18.582 19.000 -0.035 0.000 0.814 232 A HN 0.451 nan 8.150 nan 0.000 0.444 233 L N -0.526 120.678 121.223 -0.032 0.000 2.141 233 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 233 L C 2.167 179.027 176.870 -0.017 0.000 1.094 233 L CA 1.358 56.184 54.840 -0.023 0.000 0.763 233 L CB -0.301 41.745 42.059 -0.020 0.000 0.908 233 L HN 0.388 nan 8.230 nan 0.000 0.437 234 L N -1.541 119.666 121.223 -0.026 0.000 2.056 234 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 234 L C 2.395 179.262 176.870 -0.004 0.000 1.078 234 L CA 0.932 55.761 54.840 -0.018 0.000 0.749 234 L CB -0.634 41.404 42.059 -0.036 0.000 0.901 234 L HN 0.301 nan 8.230 nan 0.000 0.433 235 L N -0.261 120.951 121.223 -0.018 0.000 2.079 235 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 235 L C 2.357 179.233 176.870 0.009 0.000 1.081 235 L CA 1.683 56.523 54.840 0.000 0.000 0.752 235 L CB -0.320 41.726 42.059 -0.023 0.000 0.896 235 L HN 0.096 nan 8.230 nan 0.000 0.433 236 I N -0.902 119.667 120.570 -0.003 0.000 2.252 236 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 236 I C 2.466 178.594 176.117 0.018 0.000 1.102 236 I CA 1.252 62.553 61.300 0.000 0.000 1.385 236 I CB -1.405 36.587 38.000 -0.014 0.000 1.064 236 I HN 0.350 nan 8.210 nan 0.000 0.414 237 L N 1.521 122.758 121.223 0.023 0.000 1.970 237 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 237 L C 2.639 179.545 176.870 0.060 0.000 1.071 237 L CA 2.462 57.327 54.840 0.043 0.000 0.751 237 L CB -0.746 41.336 42.059 0.038 0.000 0.889 237 L HN 0.187 nan 8.230 nan 0.000 0.432 238 A N -0.718 122.136 122.820 0.056 0.000 1.908 238 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 238 A C 2.252 179.884 177.584 0.079 0.000 1.181 238 A CA 2.128 54.207 52.037 0.070 0.000 0.627 238 A CB -1.095 17.949 19.000 0.074 0.000 0.818 238 A HN 0.543 nan 8.150 nan 0.000 0.445 239 L N -1.098 120.166 121.223 0.069 0.000 2.027 239 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 239 L C 2.263 179.176 176.870 0.072 0.000 1.074 239 L CA 1.995 56.879 54.840 0.074 0.000 0.745 239 L CB -0.389 41.702 42.059 0.054 0.000 0.898 239 L HN 0.306 nan 8.230 nan 0.000 0.433 240 M N -1.423 118.209 119.600 0.054 0.000 2.419 240 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 240 M C 2.063 178.389 176.300 0.044 0.000 1.082 240 M CA 0.720 56.041 55.300 0.034 0.000 1.119 240 M CB -0.845 31.761 32.600 0.009 0.000 1.398 240 M HN 0.254 nan 8.290 nan 0.000 0.453 241 L N 0.575 121.865 121.223 0.112 0.000 2.012 241 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 241 L C 2.279 179.258 176.870 0.181 0.000 1.073 241 L CA 1.789 56.756 54.840 0.213 0.000 0.748 241 L CB -1.274 40.899 42.059 0.191 0.000 0.891 241 L HN 0.261 nan 8.230 nan 0.000 0.431 242 L N -1.509 119.790 121.223 0.125 0.000 2.044 242 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 242 L C 2.550 179.482 176.870 0.104 0.000 1.075 242 L CA 1.142 56.052 54.840 0.118 0.000 0.747 242 L CB -0.786 41.344 42.059 0.117 0.000 0.903 242 L HN 0.267 nan 8.230 nan 0.000 0.435 243 V N -1.223 118.751 119.914 0.100 0.000 2.427 243 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 243 V C 1.989 178.121 176.094 0.063 0.000 1.051 243 V CA 1.515 63.886 62.300 0.119 0.000 1.048 243 V CB -0.229 31.702 31.823 0.181 0.000 0.666 243 V HN 0.373 nan 8.190 nan 0.000 0.456 244 L N -2.100 119.097 121.223 -0.045 0.000 2.416 244 L HA 0.300 4.640 4.340 -0.000 0.000 0.216 244 L C 2.066 178.695 176.870 -0.401 0.000 1.098 244 L CA 0.698 55.395 54.840 -0.237 0.000 0.840 244 L CB -0.133 41.673 42.059 -0.423 0.000 0.981 244 L HN 0.306 nan 8.230 nan 0.000 0.462 245 F N -0.452 119.525 119.950 0.044 0.000 2.680 245 F HA 0.376 4.903 4.527 -0.000 0.000 0.290 245 F C 1.124 176.924 175.800 -0.001 0.000 1.114 245 F CA -0.191 57.819 58.000 0.017 0.000 1.333 245 F CB 0.258 39.269 39.000 0.018 0.000 1.091 245 F HN -0.150 nan 8.300 nan 0.000 0.606 246 A N 0.560 123.475 122.820 0.158 0.000 3.453 246 A HA 0.423 4.743 4.320 -0.000 0.000 0.262 246 A C -1.921 175.687 177.584 0.040 0.000 1.026 246 A CA -0.716 51.370 52.037 0.083 0.000 0.938 246 A CB -0.290 18.763 19.000 0.087 0.000 1.246 246 A HN -0.073 nan 8.150 nan 0.000 0.546 247 P HA -0.136 nan 4.420 nan 0.000 0.219 247 P C 0.205 177.496 177.300 -0.015 0.000 1.146 247 P CA 1.329 64.371 63.100 -0.097 0.000 0.808 247 P CB 0.351 31.788 31.700 -0.437 0.000 0.779 248 D N -1.476 118.930 120.400 0.010 0.000 2.431 248 D HA 0.137 4.777 4.640 -0.000 0.000 0.213 248 D C 1.782 178.160 176.300 0.131 0.000 1.130 248 D CA -0.267 53.806 54.000 0.123 0.000 0.834 248 D CB 0.079 40.955 40.800 0.127 0.000 0.985 248 D HN 0.122 nan 8.370 nan 0.000 0.504 249 L N 0.220 121.500 121.223 0.095 0.000 2.079 249 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 249 L C 1.815 178.743 176.870 0.095 0.000 1.081 249 L CA 1.168 56.055 54.840 0.077 0.000 0.752 249 L CB 0.137 42.227 42.059 0.051 0.000 0.896 249 L HN 0.066 nan 8.230 nan 0.000 0.433 250 L N -1.678 119.626 121.223 0.136 0.000 2.616 250 L HA 0.204 4.544 4.340 -0.000 0.000 0.229 250 L C 1.230 178.250 176.870 0.250 0.000 1.110 250 L CA -0.093 54.854 54.840 0.180 0.000 0.884 250 L CB -0.087 42.090 42.059 0.197 0.000 1.115 250 L HN 0.158 nan 8.230 nan 0.000 0.481 251 G N -1.144 107.797 108.800 0.235 0.000 2.583 251 G HA2 0.181 4.141 3.960 -0.000 0.000 0.280 251 G HA3 0.181 4.141 3.960 -0.000 0.000 0.280 251 G C -1.340 173.716 174.900 0.260 0.000 1.376 251 G CA -0.251 45.002 45.100 0.256 0.000 1.043 251 G HN -0.098 nan 8.290 nan 0.000 0.538 252 D N -0.581 120.017 120.400 0.329 0.000 2.375 252 D HA 0.324 4.964 4.640 -0.000 0.000 0.247 252 D C -1.276 175.250 176.300 0.376 0.000 1.061 252 D CA -1.656 52.543 54.000 0.331 0.000 0.834 252 D CB 2.535 43.540 40.800 0.342 0.000 1.247 252 D HN -0.023 nan 8.370 nan 0.000 0.489 253 P HA -0.121 nan 4.420 nan 0.000 0.218 253 P C 0.843 178.368 177.300 0.375 0.000 1.148 253 P CA 0.667 63.980 63.100 0.355 0.000 0.822 253 P CB 0.620 32.424 31.700 0.174 0.000 0.784 254 D N -0.467 120.128 120.400 0.326 0.000 2.218 254 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 254 D C 1.526 177.961 176.300 0.224 0.000 0.976 254 D CA 0.777 54.941 54.000 0.273 0.000 0.853 254 D CB -0.439 40.536 40.800 0.293 0.000 0.939 254 D HN 0.054 nan 8.370 nan 0.000 0.481 255 N N -0.643 118.180 118.700 0.204 0.000 2.571 255 N HA -0.108 4.632 4.740 -0.000 0.000 0.189 255 N C 0.697 176.279 175.510 0.120 0.000 1.154 255 N CA 0.348 53.441 53.050 0.071 0.000 0.907 255 N CB -0.131 38.284 38.487 -0.120 0.000 0.977 255 N HN 0.258 nan 8.380 nan 0.000 0.449 256 Y N -0.818 119.645 120.300 0.273 0.000 2.511 256 Y HA 0.152 4.702 4.550 -0.000 0.000 0.279 256 Y C 0.442 176.540 175.900 0.331 0.000 1.157 256 Y CA 0.179 58.513 58.100 0.390 0.000 1.300 256 Y CB 0.131 38.748 38.460 0.262 0.000 1.052 256 Y HN -0.094 nan 8.280 nan 0.000 0.529 257 T N 0.559 115.261 114.554 0.247 0.000 2.799 257 T HA 0.306 4.656 4.350 -0.000 0.000 0.286 257 T C -2.646 171.912 174.700 -0.236 0.000 0.973 257 T CA -2.285 59.799 62.100 -0.027 0.000 1.035 257 T CB 1.489 70.364 68.868 0.011 0.000 0.932 257 T HN -0.217 nan 8.240 nan 0.000 0.469 258 P HA 0.195 nan 4.420 nan 0.000 0.266 258 P C -0.112 176.997 177.300 -0.318 0.000 1.193 258 P CA -0.213 62.522 63.100 -0.609 0.000 0.770 258 P CB 0.214 31.553 31.700 -0.601 0.000 0.836 259 A N 2.747 125.361 122.820 -0.344 0.000 2.555 259 A HA 0.117 4.437 4.320 -0.000 0.000 0.233 259 A C 0.516 177.783 177.584 -0.527 0.000 1.060 259 A CA 0.486 52.185 52.037 -0.562 0.000 0.759 259 A CB -0.475 17.842 19.000 -1.139 0.000 0.995 259 A HN 0.666 nan 8.150 nan 0.000 0.506 260 N N 2.681 121.023 118.700 -0.598 0.000 2.629 260 N HA 0.263 5.003 4.740 -0.000 0.000 0.277 260 N C -2.758 172.488 175.510 -0.441 0.000 1.188 260 N CA -1.171 51.644 53.050 -0.392 0.000 0.835 260 N CB 1.923 40.329 38.487 -0.136 0.000 1.420 260 N HN 0.141 nan 8.380 nan 0.000 0.542 261 P HA 0.074 nan 4.420 nan 0.000 0.230 261 P C 1.133 178.529 177.300 0.160 0.000 1.158 261 P CA 0.616 63.388 63.100 -0.548 0.000 0.769 261 P CB 0.441 31.829 31.700 -0.520 0.000 0.807 262 L N -2.357 118.925 121.223 0.098 0.000 2.354 262 L HA 0.148 4.488 4.340 -0.000 0.000 0.212 262 L C 0.831 177.772 176.870 0.119 0.000 1.091 262 L CA 0.364 55.272 54.840 0.113 0.000 0.828 262 L CB -0.451 41.625 42.059 0.029 0.000 0.973 262 L HN -0.073 nan 8.230 nan 0.000 0.461 263 N N -0.291 118.501 118.700 0.154 0.000 2.491 263 N HA 0.202 4.942 4.740 -0.000 0.000 0.274 263 N C -0.879 174.641 175.510 0.017 0.000 1.023 263 N CA -0.236 52.840 53.050 0.043 0.000 0.902 263 N CB 1.337 39.835 38.487 0.018 0.000 1.267 263 N HN -0.152 nan 8.380 nan 0.000 0.503 264 T N 4.250 118.525 114.554 -0.464 0.000 2.794 264 T HA 0.297 4.646 4.350 -0.000 0.000 0.296 264 T C -2.283 172.227 174.700 -0.316 0.000 0.949 264 T CA -0.777 60.822 62.100 -0.835 0.000 1.101 264 T CB 0.865 69.004 68.868 -1.214 0.000 0.905 264 T HN 0.421 nan 8.240 nan 0.000 0.516 265 P HA 0.110 nan 4.420 nan 0.000 0.268 265 P C -1.707 175.563 177.300 -0.050 0.000 1.208 265 P CA -1.188 61.890 63.100 -0.036 0.000 0.777 265 P CB 0.005 31.732 31.700 0.045 0.000 0.875 266 P HA -0.192 nan 4.420 nan 0.000 0.215 266 P C 1.267 178.602 177.300 0.058 0.000 1.153 266 P CA 1.536 64.653 63.100 0.028 0.000 0.853 266 P CB -0.371 31.365 31.700 0.059 0.000 0.788 267 H N 0.095 119.175 119.070 0.017 0.000 2.548 267 H HA 0.063 4.619 4.556 -0.000 0.000 0.265 267 H C 0.554 175.910 175.328 0.045 0.000 0.969 267 H CA -0.262 55.807 56.048 0.035 0.000 1.155 267 H CB -0.819 28.969 29.762 0.044 0.000 1.394 267 H HN 0.046 nan 8.280 nan 0.000 0.570 268 I N 2.054 122.405 120.570 -0.366 0.000 3.045 268 I HA -0.070 4.100 4.170 -0.000 0.000 0.306 268 I C -0.417 175.549 176.117 -0.253 0.000 1.232 268 I CA 0.463 61.527 61.300 -0.394 0.000 1.415 268 I CB 0.007 37.904 38.000 -0.172 0.000 1.364 268 I HN 0.218 nan 8.210 nan 0.000 0.538 269 K N 5.391 125.615 120.400 -0.293 0.000 2.375 269 K HA 0.793 5.113 4.320 -0.000 0.000 0.249 269 K C -2.843 173.588 176.600 -0.281 0.000 0.942 269 K CA -2.096 54.050 56.287 -0.234 0.000 0.806 269 K CB 0.777 33.254 32.500 -0.039 0.000 1.227 269 K HN 0.208 nan 8.250 nan 0.000 0.430 270 P HA -0.115 nan 4.420 nan 0.000 0.266 270 P C -0.947 176.149 177.300 -0.341 0.000 1.180 270 P CA 0.243 63.131 63.100 -0.352 0.000 0.765 270 P CB 0.213 31.694 31.700 -0.365 0.000 0.806 271 E N 2.348 122.206 120.200 -0.569 0.000 3.142 271 E HA -0.204 4.146 4.350 -0.000 0.000 0.276 271 E C 1.294 177.316 176.600 -0.964 0.000 0.887 271 E CA 0.511 56.320 56.400 -0.984 0.000 0.975 271 E CB -0.175 28.403 29.700 -1.870 0.000 0.937 271 E HN 0.548 nan 8.360 nan 0.000 0.516 272 W N 4.315 125.256 121.300 -0.597 0.000 2.313 272 W HA -0.345 4.315 4.660 -0.000 0.000 0.293 272 W C 0.929 177.365 176.519 -0.139 0.000 1.216 272 W CA 1.460 58.658 57.345 -0.245 0.000 1.223 272 W CB -1.008 28.414 29.460 -0.063 0.000 1.138 272 W HN 0.767 nan 8.180 nan 0.000 0.535 273 Y N -2.750 116.835 120.300 -1.191 0.000 2.529 273 Y HA 0.227 4.777 4.550 -0.000 0.000 0.290 273 Y C 1.362 177.095 175.900 -0.278 0.000 1.177 273 Y CA -0.431 57.024 58.100 -1.075 0.000 1.305 273 Y CB -1.641 35.624 38.460 -1.990 0.000 1.047 273 Y HN -0.229 nan 8.280 nan 0.000 0.522 274 F N -0.103 119.604 119.950 -0.404 0.000 2.678 274 F HA 0.302 4.829 4.527 -0.000 0.000 0.305 274 F C 1.525 177.175 175.800 -0.250 0.000 1.090 274 F CA -1.004 56.807 58.000 -0.315 0.000 1.272 274 F CB -0.398 38.374 39.000 -0.381 0.000 1.060 274 F HN 0.161 nan 8.300 nan 0.000 0.576 275 L N -0.472 120.812 121.223 0.102 0.000 2.093 275 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 275 L C 2.637 179.596 176.870 0.148 0.000 1.085 275 L CA 1.355 56.292 54.840 0.162 0.000 0.755 275 L CB -0.783 41.393 42.059 0.194 0.000 0.904 275 L HN 0.179 nan 8.230 nan 0.000 0.435 276 F N 0.166 120.139 119.950 0.037 0.000 2.134 276 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 276 F C 2.402 178.139 175.800 -0.104 0.000 1.097 276 F CA 1.007 58.966 58.000 -0.069 0.000 1.264 276 F CB -1.073 37.831 39.000 -0.159 0.000 1.001 276 F HN -0.080 nan 8.300 nan 0.000 0.479 277 A N -0.249 121.950 122.820 -1.034 0.000 1.897 277 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 277 A C 2.168 179.580 177.584 -0.286 0.000 1.181 277 A CA 1.160 52.734 52.037 -0.770 0.000 0.620 277 A CB -1.641 16.780 19.000 -0.964 0.000 0.821 277 A HN 0.595 nan 8.150 nan 0.000 0.443 278 Y N 1.054 121.157 120.300 -0.330 0.000 2.081 278 Y HA -0.214 4.336 4.550 -0.000 0.000 0.280 278 Y C 2.640 178.459 175.900 -0.136 0.000 1.163 278 Y CA 1.360 59.347 58.100 -0.188 0.000 1.135 278 Y CB -0.788 37.591 38.460 -0.135 0.000 0.970 278 Y HN 0.300 nan 8.280 nan 0.000 0.498 279 A N 0.126 122.848 122.820 -0.164 0.000 1.940 279 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 279 A C 2.366 179.853 177.584 -0.162 0.000 1.176 279 A CA 1.995 53.897 52.037 -0.225 0.000 0.631 279 A CB -1.165 17.766 19.000 -0.116 0.000 0.814 279 A HN 0.580 nan 8.150 nan 0.000 0.446 280 I N -0.849 119.654 120.570 -0.113 0.000 2.179 280 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 280 I C 2.484 178.587 176.117 -0.023 0.000 1.088 280 I CA 1.437 62.718 61.300 -0.031 0.000 1.357 280 I CB -0.221 37.778 38.000 -0.002 0.000 1.051 280 I HN 0.448 nan 8.210 nan 0.000 0.409 281 L N 1.388 122.572 121.223 -0.065 0.000 2.046 281 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 281 L C 2.742 179.563 176.870 -0.081 0.000 1.077 281 L CA 1.581 56.389 54.840 -0.053 0.000 0.747 281 L CB -0.296 41.734 42.059 -0.048 0.000 0.896 281 L HN 0.222 nan 8.230 nan 0.000 0.432 282 R N -1.765 118.638 120.500 -0.163 0.000 2.276 282 R HA 0.091 4.431 4.340 -0.000 0.000 0.196 282 R C 1.729 177.952 176.300 -0.128 0.000 0.961 282 R CA 0.888 56.881 56.100 -0.178 0.000 1.024 282 R CB -0.489 29.620 30.300 -0.319 0.000 0.940 282 R HN 0.165 nan 8.270 nan 0.000 0.480 283 S N 0.821 116.460 115.700 -0.102 0.000 2.469 283 S HA 0.045 4.515 4.470 -0.000 0.000 0.238 283 S C 0.593 175.179 174.600 -0.024 0.000 0.998 283 S CA 0.571 58.740 58.200 -0.051 0.000 0.957 283 S CB -0.122 63.066 63.200 -0.019 0.000 0.764 283 S HN 0.220 nan 8.310 nan 0.000 0.514 284 I N 2.840 123.395 120.570 -0.026 0.000 2.330 284 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 284 I C -2.167 173.935 176.117 -0.025 0.000 1.001 284 I CA -2.090 59.199 61.300 -0.018 0.000 1.193 284 I CB 1.551 39.543 38.000 -0.013 0.000 1.345 284 I HN -0.148 nan 8.210 nan 0.000 0.461 285 P HA 0.130 nan 4.420 nan 0.000 0.220 285 P C -0.852 176.438 177.300 -0.017 0.000 1.778 285 P CA 0.058 63.147 63.100 -0.019 0.000 0.912 285 P CB -0.071 31.620 31.700 -0.015 0.000 1.861 286 N N 0.801 119.489 118.700 -0.019 0.000 2.371 286 N HA 0.089 4.829 4.740 -0.000 0.000 0.280 286 N C 0.382 175.881 175.510 -0.019 0.000 1.084 286 N CA -0.396 52.643 53.050 -0.019 0.000 0.892 286 N CB 2.305 40.779 38.487 -0.022 0.000 1.653 286 N HN -0.184 nan 8.380 nan 0.000 0.480 287 K N 1.691 122.083 120.400 -0.015 0.000 1.984 287 K HA -0.081 4.239 4.320 -0.000 0.000 0.209 287 K C 1.732 178.321 176.600 -0.018 0.000 1.046 287 K CA 1.066 57.346 56.287 -0.012 0.000 0.934 287 K CB -0.049 32.448 32.500 -0.005 0.000 0.717 287 K HN 0.444 nan 8.250 nan 0.000 0.438 288 L N 0.758 121.969 121.223 -0.021 0.000 2.056 288 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 288 L C 2.105 178.953 176.870 -0.037 0.000 1.078 288 L CA 2.172 56.996 54.840 -0.027 0.000 0.749 288 L CB -0.913 41.130 42.059 -0.028 0.000 0.901 288 L HN 0.298 nan 8.230 nan 0.000 0.433 289 G N -1.236 107.540 108.800 -0.040 0.000 2.408 289 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 289 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 289 G C 1.488 176.363 174.900 -0.041 0.000 1.150 289 G CA 0.507 45.576 45.100 -0.052 0.000 0.776 289 G HN 0.582 nan 8.290 nan 0.000 0.542 290 G N 0.157 108.940 108.800 -0.028 0.000 2.404 290 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.215 290 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.215 290 G C 1.750 176.641 174.900 -0.015 0.000 1.174 290 G CA 1.110 46.198 45.100 -0.020 0.000 0.780 290 G HN 0.361 nan 8.290 nan 0.000 0.537 291 V N 0.054 119.955 119.914 -0.021 0.000 2.548 291 V HA 0.009 4.129 4.120 -0.000 0.000 0.249 291 V C 2.699 178.787 176.094 -0.009 0.000 1.055 291 V CA 1.210 63.497 62.300 -0.022 0.000 1.065 291 V CB -0.119 31.686 31.823 -0.029 0.000 0.681 291 V HN 0.229 nan 8.190 nan 0.000 0.462 292 L N 0.519 121.730 121.223 -0.019 0.000 2.093 292 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 292 L C 2.628 179.507 176.870 0.014 0.000 1.085 292 L CA 2.256 57.080 54.840 -0.026 0.000 0.755 292 L CB -1.291 40.720 42.059 -0.080 0.000 0.904 292 L HN 0.359 nan 8.230 nan 0.000 0.435 293 A N -1.027 121.800 122.820 0.012 0.000 1.930 293 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 293 A C 2.268 179.990 177.584 0.229 0.000 1.175 293 A CA 1.746 53.837 52.037 0.090 0.000 0.627 293 A CB -0.780 18.259 19.000 0.065 0.000 0.815 293 A HN 0.384 nan 8.150 nan 0.000 0.443 294 L N -0.252 121.036 121.223 0.108 0.000 1.994 294 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 294 L C 2.711 179.629 176.870 0.080 0.000 1.071 294 L CA 2.232 57.102 54.840 0.050 0.000 0.745 294 L CB -0.658 41.377 42.059 -0.040 0.000 0.892 294 L HN 0.330 nan 8.230 nan 0.000 0.431 295 A N -0.812 122.059 122.820 0.085 0.000 1.892 295 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 295 A C 2.252 179.976 177.584 0.234 0.000 1.188 295 A CA 2.120 54.223 52.037 0.110 0.000 0.631 295 A CB -1.311 17.738 19.000 0.083 0.000 0.822 295 A HN 0.539 nan 8.150 nan 0.000 0.447 296 F N 1.682 121.693 119.950 0.102 0.000 2.293 296 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 296 F C 2.749 178.812 175.800 0.438 0.000 1.086 296 F CA 1.323 59.432 58.000 0.182 0.000 1.375 296 F CB -0.268 38.748 39.000 0.028 0.000 1.045 296 F HN 0.349 nan 8.300 nan 0.000 0.516 297 S N -0.613 115.390 115.700 0.505 0.000 2.423 297 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 297 S C 1.813 176.590 174.600 0.296 0.000 1.014 297 S CA 1.512 59.975 58.200 0.438 0.000 0.965 297 S CB -0.584 62.736 63.200 0.200 0.000 0.785 297 S HN 0.367 nan 8.310 nan 0.000 0.495 298 I N 0.362 121.049 120.570 0.196 0.000 3.300 298 I HA 0.253 4.423 4.170 -0.000 0.000 0.279 298 I C 1.972 178.140 176.117 0.085 0.000 1.172 298 I CA 0.234 61.627 61.300 0.155 0.000 1.431 298 I CB -0.118 37.958 38.000 0.126 0.000 1.240 298 I HN 0.159 nan 8.210 nan 0.000 0.453 299 L N 0.579 121.849 121.223 0.079 0.000 2.353 299 L HA -0.168 4.172 4.340 -0.000 0.000 0.220 299 L C 2.465 179.326 176.870 -0.014 0.000 1.133 299 L CA 1.072 55.950 54.840 0.062 0.000 0.798 299 L CB -0.443 41.698 42.059 0.136 0.000 0.922 299 L HN 0.300 nan 8.230 nan 0.000 0.445 300 I N 0.194 120.659 120.570 -0.176 0.000 2.315 300 I HA -0.341 3.829 4.170 -0.000 0.000 0.251 300 I C 2.296 178.362 176.117 -0.084 0.000 1.125 300 I CA 1.375 62.483 61.300 -0.319 0.000 1.392 300 I CB 0.068 37.811 38.000 -0.429 0.000 1.065 300 I HN 0.192 nan 8.210 nan 0.000 0.424 301 L N 0.479 121.722 121.223 0.033 0.000 2.129 301 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 301 L C 2.628 179.734 176.870 0.393 0.000 1.087 301 L CA 1.318 56.288 54.840 0.216 0.000 0.757 301 L CB -0.965 41.183 42.059 0.148 0.000 0.896 301 L HN 0.314 nan 8.230 nan 0.000 0.434 302 A N -0.440 122.518 122.820 0.229 0.000 2.172 302 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 302 A C 2.190 179.853 177.584 0.132 0.000 1.154 302 A CA 1.035 53.209 52.037 0.230 0.000 0.701 302 A CB -0.416 18.666 19.000 0.137 0.000 0.789 302 A HN 0.420 nan 8.150 nan 0.000 0.465 303 L N -1.172 120.086 121.223 0.060 0.000 2.416 303 L HA 0.067 4.407 4.340 -0.000 0.000 0.216 303 L C 2.112 178.937 176.870 -0.076 0.000 1.098 303 L CA 0.258 55.104 54.840 0.010 0.000 0.840 303 L CB -0.369 41.704 42.059 0.023 0.000 0.981 303 L HN 0.322 nan 8.230 nan 0.000 0.462 304 I N 0.981 121.459 120.570 -0.152 0.000 2.185 304 I HA -0.261 3.909 4.170 -0.000 0.000 0.246 304 I C -0.362 175.435 176.117 -0.534 0.000 1.088 304 I CA 1.787 62.846 61.300 -0.401 0.000 1.347 304 I CB -1.284 36.381 38.000 -0.558 0.000 1.041 304 I HN 0.208 nan 8.210 nan 0.000 0.415 305 P HA -0.163 nan 4.420 nan 0.000 0.218 305 P C 1.552 178.827 177.300 -0.043 0.000 1.148 305 P CA 1.145 64.158 63.100 -0.146 0.000 0.822 305 P CB 0.041 31.701 31.700 -0.068 0.000 0.784 306 L N -1.984 119.210 121.223 -0.048 0.000 2.478 306 L HA 0.011 4.351 4.340 -0.000 0.000 0.223 306 L C 1.845 178.709 176.870 -0.010 0.000 1.140 306 L CA 1.448 56.280 54.840 -0.012 0.000 0.842 306 L CB -1.265 40.794 42.059 0.001 0.000 0.953 306 L HN 0.035 nan 8.230 nan 0.000 0.452 307 L N -2.467 118.735 121.223 -0.036 0.000 2.766 307 L HA 0.144 4.484 4.340 -0.000 0.000 0.242 307 L C 0.470 177.324 176.870 -0.027 0.000 1.136 307 L CA -0.275 54.539 54.840 -0.043 0.000 0.933 307 L CB -0.194 41.816 42.059 -0.082 0.000 1.241 307 L HN 0.095 nan 8.230 nan 0.000 0.522 308 H N 0.760 119.782 119.070 -0.080 0.000 3.215 308 H HA 0.001 4.557 4.556 -0.000 0.000 0.253 308 H C 0.934 176.237 175.328 -0.042 0.000 1.102 308 H CA 0.327 56.360 56.048 -0.025 0.000 1.482 308 H CB 0.560 30.378 29.762 0.092 0.000 1.542 308 H HN 0.050 nan 8.280 nan 0.000 0.498 309 T N 1.652 116.114 114.554 -0.153 0.000 3.051 309 T HA -0.045 4.305 4.350 -0.000 0.000 0.255 309 T C 0.976 175.597 174.700 -0.132 0.000 1.085 309 T CA 0.313 62.353 62.100 -0.100 0.000 1.109 309 T CB 0.182 68.998 68.868 -0.087 0.000 0.921 309 T HN 0.519 nan 8.240 nan 0.000 0.488 310 S N 1.033 116.545 115.700 -0.313 0.000 2.564 310 S HA 0.148 4.618 4.470 -0.000 0.000 0.278 310 S C 1.200 175.738 174.600 -0.104 0.000 1.333 310 S CA -0.508 57.558 58.200 -0.224 0.000 1.048 310 S CB 0.673 63.687 63.200 -0.311 0.000 0.900 310 S HN 0.163 nan 8.310 nan 0.000 0.505 311 K N 2.073 122.364 120.400 -0.181 0.000 2.432 311 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 311 K C 0.283 176.697 176.600 -0.309 0.000 1.038 311 K CA 0.656 56.692 56.287 -0.418 0.000 0.986 311 K CB 0.082 31.965 32.500 -1.029 0.000 0.782 311 K HN 0.666 nan 8.250 nan 0.000 0.485 312 Q N -0.323 119.446 119.800 -0.051 0.000 2.235 312 Q HA 0.220 4.560 4.340 -0.000 0.000 0.256 312 Q C 0.643 176.705 176.000 0.103 0.000 0.951 312 Q CA -0.360 55.485 55.803 0.071 0.000 0.890 312 Q CB 2.116 30.975 28.738 0.202 0.000 1.279 312 Q HN -0.025 nan 8.270 nan 0.000 0.444 313 R N 0.703 121.229 120.500 0.045 0.000 2.055 313 R HA 0.038 4.378 4.340 -0.000 0.000 0.226 313 R C 0.701 176.972 176.300 -0.048 0.000 1.135 313 R CA 0.747 56.822 56.100 -0.041 0.000 0.959 313 R CB 0.144 30.349 30.300 -0.159 0.000 0.854 313 R HN 0.542 nan 8.270 nan 0.000 0.431 314 S N -0.565 115.103 115.700 -0.053 0.000 2.632 314 S HA 0.158 4.628 4.470 -0.000 0.000 0.271 314 S C 0.869 175.294 174.600 -0.292 0.000 1.260 314 S CA -0.570 57.550 58.200 -0.133 0.000 1.010 314 S CB 1.164 64.359 63.200 -0.008 0.000 0.965 314 S HN 0.298 nan 8.310 nan 0.000 0.534 315 M N 3.286 122.501 119.600 -0.642 0.000 2.618 315 M HA 0.069 4.549 4.480 -0.000 0.000 0.240 315 M C 1.826 177.750 176.300 -0.626 0.000 1.123 315 M CA 0.221 55.034 55.300 -0.812 0.000 1.060 315 M CB -0.163 31.565 32.600 -1.453 0.000 1.535 315 M HN 0.785 nan 8.290 nan 0.000 0.507 316 M N 0.155 119.458 119.600 -0.496 0.000 2.106 316 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 316 M C 0.220 176.276 176.300 -0.407 0.000 1.068 316 M CA 1.987 57.029 55.300 -0.430 0.000 1.100 316 M CB 0.082 32.309 32.600 -0.622 0.000 1.351 316 M HN 0.189 nan 8.290 nan 0.000 0.404 317 F N 0.186 120.140 119.950 0.006 0.000 2.684 317 F HA 0.343 4.870 4.527 0.000 0.000 0.298 317 F C 0.026 175.824 175.800 -0.003 0.000 1.120 317 F CA -0.153 57.859 58.000 0.020 0.000 1.332 317 F CB -0.004 39.020 39.000 0.040 0.000 0.986 317 F HN -0.059 nan 8.300 nan 0.000 0.524 318 R N 0.696 121.224 120.500 0.047 0.000 2.494 318 R HA 0.243 4.583 4.340 -0.000 0.000 0.284 318 R C -2.260 174.028 176.300 -0.020 0.000 1.525 318 R CA -1.330 54.770 56.100 0.000 0.000 1.460 318 R CB 0.898 31.150 30.300 -0.080 0.000 1.134 318 R HN -0.031 nan 8.270 nan 0.000 0.592 319 P HA -0.149 nan 4.420 nan 0.000 0.217 319 P C 1.367 178.695 177.300 0.047 0.000 1.150 319 P CA 0.498 63.631 63.100 0.056 0.000 0.832 319 P CB 0.341 32.081 31.700 0.067 0.000 0.787 320 L N -0.477 120.761 121.223 0.026 0.000 2.079 320 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 320 L C 2.140 179.011 176.870 0.002 0.000 1.081 320 L CA 2.072 56.923 54.840 0.018 0.000 0.752 320 L CB -1.626 40.438 42.059 0.007 0.000 0.896 320 L HN 0.014 nan 8.230 nan 0.000 0.433 321 S N -1.070 114.606 115.700 -0.040 0.000 2.387 321 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 321 S C 1.790 176.344 174.600 -0.077 0.000 1.026 321 S CA 0.637 58.784 58.200 -0.089 0.000 0.972 321 S CB 0.007 63.105 63.200 -0.170 0.000 0.814 321 S HN 0.456 nan 8.310 nan 0.000 0.477 322 Q N 0.190 119.959 119.800 -0.053 0.000 2.077 322 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 322 Q C 2.467 178.615 176.000 0.246 0.000 0.989 322 Q CA 1.690 57.545 55.803 0.086 0.000 0.853 322 Q CB -0.477 28.373 28.738 0.187 0.000 0.907 322 Q HN 0.552 nan 8.270 nan 0.000 0.418 323 C N 0.273 119.692 119.300 0.199 0.000 2.432 323 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 323 C C 2.546 177.632 174.990 0.158 0.000 1.249 323 C CA 0.588 59.733 59.018 0.211 0.000 1.725 323 C CB -0.979 26.838 27.740 0.130 0.000 2.028 323 C HN 0.475 nan 8.230 nan 0.000 0.477 324 L N -0.610 120.659 121.223 0.076 0.000 2.240 324 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 324 L C 2.344 179.202 176.870 -0.019 0.000 1.106 324 L CA 0.999 55.852 54.840 0.021 0.000 0.793 324 L CB -0.644 41.408 42.059 -0.012 0.000 0.927 324 L HN 0.304 nan 8.230 nan 0.000 0.446 325 F N 0.011 119.840 119.950 -0.201 0.000 2.134 325 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 325 F C 1.926 177.505 175.800 -0.369 0.000 1.097 325 F CA 1.518 59.296 58.000 -0.370 0.000 1.264 325 F CB -0.271 38.394 39.000 -0.557 0.000 1.001 325 F HN -0.014 nan 8.300 nan 0.000 0.479 326 W N -0.188 121.129 121.300 0.027 0.000 2.476 326 W HA 0.080 4.740 4.660 -0.000 0.000 0.281 326 W C 2.536 178.988 176.519 -0.111 0.000 1.230 326 W CA 0.839 58.145 57.345 -0.064 0.000 1.287 326 W CB -0.674 28.828 29.460 0.070 0.000 1.108 326 W HN 0.039 nan 8.180 nan 0.000 0.567 327 A N 0.298 123.180 122.820 0.104 0.000 1.940 327 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 327 A C 1.979 179.534 177.584 -0.048 0.000 1.176 327 A CA 1.262 53.318 52.037 0.032 0.000 0.631 327 A CB -0.827 18.189 19.000 0.028 0.000 0.814 327 A HN 0.316 nan 8.150 nan 0.000 0.446 328 L N -0.112 121.011 121.223 -0.166 0.000 2.027 328 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 328 L C 2.476 179.198 176.870 -0.247 0.000 1.074 328 L CA 1.734 56.433 54.840 -0.236 0.000 0.745 328 L CB -0.569 41.270 42.059 -0.368 0.000 0.898 328 L HN 0.288 nan 8.230 nan 0.000 0.433 329 V N 0.519 120.221 119.914 -0.354 0.000 2.261 329 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 329 V C 2.902 178.965 176.094 -0.051 0.000 1.047 329 V CA 1.756 63.924 62.300 -0.221 0.000 1.015 329 V CB -1.091 30.665 31.823 -0.113 0.000 0.642 329 V HN 0.560 nan 8.190 nan 0.000 0.446 330 A N -0.126 122.704 122.820 0.016 0.000 1.933 330 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 330 A C 2.024 179.629 177.584 0.034 0.000 1.175 330 A CA 2.113 54.173 52.037 0.038 0.000 0.628 330 A CB -0.687 18.346 19.000 0.056 0.000 0.814 330 A HN 0.619 nan 8.150 nan 0.000 0.444 331 D N -0.424 119.989 120.400 0.021 0.000 2.144 331 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 331 D C 1.784 178.104 176.300 0.033 0.000 0.978 331 D CA 1.032 55.058 54.000 0.044 0.000 0.833 331 D CB -0.146 40.680 40.800 0.043 0.000 0.961 331 D HN 0.411 nan 8.370 nan 0.000 0.470 332 L N -0.160 121.046 121.223 -0.028 0.000 2.093 332 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 332 L C 2.288 179.141 176.870 -0.028 0.000 1.085 332 L CA 0.458 55.234 54.840 -0.107 0.000 0.755 332 L CB -0.383 41.509 42.059 -0.278 0.000 0.904 332 L HN 0.209 nan 8.230 nan 0.000 0.435 333 L N -0.774 120.457 121.223 0.014 0.000 2.083 333 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 333 L C 2.375 179.339 176.870 0.157 0.000 1.083 333 L CA 2.015 56.902 54.840 0.079 0.000 0.752 333 L CB -0.756 41.336 42.059 0.056 0.000 0.899 333 L HN 0.160 nan 8.230 nan 0.000 0.433 334 T N -0.098 114.554 114.554 0.164 0.000 2.708 334 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 334 T C 1.953 176.824 174.700 0.285 0.000 1.037 334 T CA 1.928 64.206 62.100 0.296 0.000 1.146 334 T CB -0.392 68.619 68.868 0.238 0.000 0.865 334 T HN 0.320 nan 8.240 nan 0.000 0.435 335 L N 1.138 122.456 121.223 0.158 0.000 2.131 335 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 335 L C 3.082 180.036 176.870 0.141 0.000 1.092 335 L CA 1.542 56.447 54.840 0.107 0.000 0.759 335 L CB -0.883 41.219 42.059 0.073 0.000 0.903 335 L HN 0.444 nan 8.230 nan 0.000 0.435 336 T N -2.746 111.932 114.554 0.207 0.000 2.904 336 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 336 T C 1.548 176.388 174.700 0.233 0.000 1.059 336 T CA 0.651 62.897 62.100 0.242 0.000 1.137 336 T CB -0.425 68.627 68.868 0.307 0.000 0.879 336 T HN 0.506 nan 8.240 nan 0.000 0.467 337 W N 1.973 123.304 121.300 0.051 0.000 2.335 337 W HA -0.020 4.640 4.660 -0.000 0.000 0.311 337 W C 1.682 178.159 176.519 -0.071 0.000 1.213 337 W CA 0.816 58.160 57.345 -0.001 0.000 1.274 337 W CB -0.601 28.857 29.460 -0.003 0.000 1.148 337 W HN 0.155 nan 8.180 nan 0.000 0.498 338 I N 1.363 121.702 120.570 -0.385 0.000 2.179 338 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 338 I C 2.690 178.591 176.117 -0.360 0.000 1.088 338 I CA 1.856 62.796 61.300 -0.600 0.000 1.357 338 I CB -2.115 35.656 38.000 -0.381 0.000 1.051 338 I HN 0.235 nan 8.210 nan 0.000 0.409 339 G N 0.787 109.505 108.800 -0.138 0.000 2.545 339 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.222 339 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.222 339 G C 1.672 176.630 174.900 0.095 0.000 1.126 339 G CA 1.112 46.234 45.100 0.036 0.000 0.754 339 G HN 0.524 nan 8.290 nan 0.000 0.583 340 G N -1.330 107.466 108.800 -0.007 0.000 2.650 340 G HA2 0.189 4.149 3.960 -0.000 0.000 0.214 340 G HA3 0.189 4.149 3.960 -0.000 0.000 0.214 340 G C 0.855 175.704 174.900 -0.086 0.000 1.136 340 G CA 0.216 45.321 45.100 0.009 0.000 0.789 340 G HN 0.351 nan 8.290 nan 0.000 0.536 341 Q N 0.228 119.852 119.800 -0.293 0.000 2.248 341 Q HA 0.401 4.741 4.340 -0.000 0.000 0.263 341 Q C -2.355 173.514 176.000 -0.217 0.000 1.007 341 Q CA -2.357 53.188 55.803 -0.431 0.000 0.877 341 Q CB 1.843 29.847 28.738 -1.223 0.000 1.315 341 Q HN 0.075 nan 8.270 nan 0.000 0.454 342 P HA 0.101 nan 4.420 nan 0.000 0.274 342 P C -0.310 177.011 177.300 0.035 0.000 1.231 342 P CA -0.342 62.769 63.100 0.018 0.000 0.790 342 P CB 0.559 32.306 31.700 0.079 0.000 0.951 343 V N 1.452 121.369 119.914 0.005 0.000 2.070 343 V HA 0.086 4.206 4.120 -0.000 0.000 0.239 343 V C 0.793 176.910 176.094 0.038 0.000 1.472 343 V CA 0.789 63.088 62.300 -0.002 0.000 1.453 343 V CB -2.137 29.661 31.823 -0.041 0.000 1.503 343 V HN 0.545 nan 8.190 nan 0.000 0.501 344 E N 0.323 120.574 120.200 0.086 0.000 2.450 344 E HA 0.328 4.678 4.350 -0.000 0.000 0.272 344 E C 0.965 177.572 176.600 0.011 0.000 0.967 344 E CA -0.781 55.659 56.400 0.067 0.000 0.818 344 E CB 1.332 31.079 29.700 0.079 0.000 1.401 344 E HN 0.515 nan 8.360 nan 0.000 0.450 345 H N 1.854 120.873 119.070 -0.084 0.000 2.261 345 H HA -0.104 4.452 4.556 -0.000 0.000 0.290 345 H C -1.010 174.240 175.328 -0.131 0.000 1.081 345 H CA 2.570 58.559 56.048 -0.098 0.000 1.196 345 H CB -0.796 28.915 29.762 -0.086 0.000 1.350 345 H HN 0.291 nan 8.280 nan 0.000 0.498 346 P HA -0.127 nan 4.420 nan 0.000 0.219 346 P C 1.196 178.294 177.300 -0.336 0.000 1.150 346 P CA 1.268 63.895 63.100 -0.789 0.000 0.814 346 P CB -0.428 30.821 31.700 -0.752 0.000 0.787 347 Y N 0.075 120.230 120.300 -0.240 0.000 2.263 347 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 347 Y C 2.625 178.408 175.900 -0.195 0.000 1.130 347 Y CA 0.043 57.987 58.100 -0.260 0.000 1.179 347 Y CB -1.567 36.720 38.460 -0.289 0.000 0.998 347 Y HN -0.132 nan 8.280 nan 0.000 0.532 348 I N -0.725 119.851 120.570 0.010 0.000 2.163 348 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 348 I C 2.169 178.279 176.117 -0.011 0.000 1.085 348 I CA 1.915 63.208 61.300 -0.012 0.000 1.347 348 I CB -0.745 37.255 38.000 -0.000 0.000 1.044 348 I HN 0.155 nan 8.210 nan 0.000 0.408 349 T N 1.387 115.935 114.554 -0.009 0.000 2.770 349 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 349 T C 1.917 176.628 174.700 0.018 0.000 1.039 349 T CA 1.680 63.785 62.100 0.008 0.000 1.142 349 T CB -0.334 68.542 68.868 0.013 0.000 0.868 349 T HN 0.463 nan 8.240 nan 0.000 0.435 350 I N 0.908 121.489 120.570 0.017 0.000 2.394 350 I HA 0.147 4.316 4.170 -0.000 0.000 0.251 350 I C 2.392 178.537 176.117 0.047 0.000 1.136 350 I CA 1.532 62.865 61.300 0.055 0.000 1.425 350 I CB -0.898 37.170 38.000 0.113 0.000 1.079 350 I HN 0.154 nan 8.210 nan 0.000 0.425 351 G N -0.046 108.753 108.800 -0.001 0.000 2.408 351 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 351 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 351 G C 1.604 176.509 174.900 0.008 0.000 1.150 351 G CA 0.761 45.847 45.100 -0.022 0.000 0.776 351 G HN 0.556 nan 8.290 nan 0.000 0.542 352 Q N -0.411 119.398 119.800 0.015 0.000 2.084 352 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 352 Q C 2.637 178.676 176.000 0.066 0.000 0.978 352 Q CA 0.915 56.741 55.803 0.038 0.000 0.844 352 Q CB -0.215 28.541 28.738 0.029 0.000 0.898 352 Q HN 0.440 nan 8.270 nan 0.000 0.426 353 L N -0.216 121.045 121.223 0.062 0.000 2.093 353 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 353 L C 2.438 179.361 176.870 0.089 0.000 1.085 353 L CA 0.897 55.781 54.840 0.074 0.000 0.755 353 L CB -0.477 41.622 42.059 0.068 0.000 0.904 353 L HN 0.215 nan 8.230 nan 0.000 0.435 354 A N -0.802 122.070 122.820 0.086 0.000 1.898 354 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 354 A C 2.504 180.150 177.584 0.103 0.000 1.181 354 A CA 1.923 54.015 52.037 0.092 0.000 0.620 354 A CB -0.618 18.436 19.000 0.089 0.000 0.819 354 A HN 0.341 nan 8.150 nan 0.000 0.442 355 S N -0.384 115.378 115.700 0.104 0.000 2.359 355 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 355 S C 1.924 176.701 174.600 0.295 0.000 1.039 355 S CA 1.632 59.932 58.200 0.167 0.000 1.042 355 S CB -0.579 62.725 63.200 0.173 0.000 0.915 355 S HN 0.347 nan 8.310 nan 0.000 0.439 356 V N 1.516 121.573 119.914 0.238 0.000 2.287 356 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 356 V C 2.242 178.460 176.094 0.207 0.000 1.053 356 V CA 1.684 64.129 62.300 0.241 0.000 1.027 356 V CB -0.588 31.323 31.823 0.147 0.000 0.646 356 V HN 0.353 nan 8.190 nan 0.000 0.447 357 L N -0.935 120.373 121.223 0.141 0.000 2.083 357 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 357 L C 2.278 179.182 176.870 0.057 0.000 1.083 357 L CA 2.009 56.903 54.840 0.090 0.000 0.752 357 L CB -0.768 41.335 42.059 0.072 0.000 0.899 357 L HN 0.469 nan 8.230 nan 0.000 0.433 358 Y N -0.603 119.642 120.300 -0.091 0.000 2.081 358 Y HA -0.343 4.207 4.550 -0.000 0.000 0.280 358 Y C 2.092 177.816 175.900 -0.293 0.000 1.163 358 Y CA 2.243 60.185 58.100 -0.263 0.000 1.135 358 Y CB -0.520 37.677 38.460 -0.437 0.000 0.970 358 Y HN 0.208 nan 8.280 nan 0.000 0.498 359 F N -1.180 118.812 119.950 0.070 0.000 2.259 359 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 359 F C 2.130 177.909 175.800 -0.036 0.000 1.088 359 F CA 0.868 58.865 58.000 -0.004 0.000 1.358 359 F CB -0.835 38.260 39.000 0.158 0.000 1.040 359 F HN 0.093 nan 8.300 nan 0.000 0.505 360 L N -0.853 120.457 121.223 0.144 0.000 2.072 360 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 360 L C 2.220 179.087 176.870 -0.005 0.000 1.079 360 L CA 0.918 55.802 54.840 0.074 0.000 0.752 360 L CB -0.551 41.553 42.059 0.075 0.000 0.906 360 L HN 0.010 nan 8.230 nan 0.000 0.436 361 L N -0.447 120.739 121.223 -0.060 0.000 1.989 361 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 361 L C 2.352 179.136 176.870 -0.143 0.000 1.071 361 L CA 2.004 56.781 54.840 -0.106 0.000 0.749 361 L CB -0.772 41.200 42.059 -0.145 0.000 0.890 361 L HN 0.212 nan 8.230 nan 0.000 0.431 362 I N -1.774 118.663 120.570 -0.221 0.000 2.202 362 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 362 I C 2.213 178.254 176.117 -0.127 0.000 1.091 362 I CA 0.664 61.828 61.300 -0.227 0.000 1.368 362 I CB -0.213 37.570 38.000 -0.362 0.000 1.058 362 I HN 0.174 nan 8.210 nan 0.000 0.410 363 L N -0.673 120.516 121.223 -0.056 0.000 2.109 363 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 363 L C 1.964 178.830 176.870 -0.006 0.000 1.086 363 L CA 1.608 56.450 54.840 0.004 0.000 0.760 363 L CB -0.132 41.981 42.059 0.090 0.000 0.910 363 L HN 0.023 nan 8.230 nan 0.000 0.437 364 V N -2.805 117.103 119.914 -0.011 0.000 3.029 364 V HA 0.048 4.168 4.120 -0.000 0.000 0.230 364 V C 1.706 177.786 176.094 -0.023 0.000 1.254 364 V CA 0.153 62.449 62.300 -0.006 0.000 1.276 364 V CB 0.349 32.180 31.823 0.013 0.000 1.080 364 V HN 0.096 nan 8.190 nan 0.000 0.495 365 L N -0.450 120.755 121.223 -0.029 0.000 2.095 365 L HA 0.096 4.436 4.340 -0.000 0.000 0.204 365 L C 2.226 179.068 176.870 -0.047 0.000 1.080 365 L CA 2.020 56.842 54.840 -0.030 0.000 0.759 365 L CB -0.556 41.489 42.059 -0.024 0.000 0.914 365 L HN 0.234 nan 8.230 nan 0.000 0.439 366 M N -0.786 118.772 119.600 -0.069 0.000 2.132 366 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 366 M C -0.352 175.888 176.300 -0.100 0.000 1.065 366 M CA 1.852 57.099 55.300 -0.089 0.000 1.122 366 M CB -1.172 31.362 32.600 -0.111 0.000 1.365 366 M HN 0.087 nan 8.290 nan 0.000 0.411 367 P HA -0.102 nan 4.420 nan 0.000 0.216 367 P C 1.165 178.425 177.300 -0.067 0.000 1.150 367 P CA 1.383 64.431 63.100 -0.087 0.000 0.837 367 P CB -0.221 31.441 31.700 -0.064 0.000 0.786 368 T N -0.674 113.851 114.554 -0.048 0.000 2.812 368 T HA -0.068 4.282 4.350 -0.000 0.000 0.264 368 T C 1.928 176.609 174.700 -0.033 0.000 1.042 368 T CA 1.401 63.481 62.100 -0.032 0.000 1.140 368 T CB -0.943 67.913 68.868 -0.020 0.000 0.870 368 T HN 0.030 nan 8.240 nan 0.000 0.445 369 A N 1.583 124.379 122.820 -0.041 0.000 1.917 369 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 369 A C 2.612 180.167 177.584 -0.048 0.000 1.182 369 A CA 2.001 54.015 52.037 -0.039 0.000 0.633 369 A CB -1.417 17.556 19.000 -0.045 0.000 0.819 369 A HN 0.520 nan 8.150 nan 0.000 0.448 370 G N -1.431 107.321 108.800 -0.080 0.000 2.408 370 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 370 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 370 G C 1.560 176.428 174.900 -0.054 0.000 1.150 370 G CA 1.614 46.653 45.100 -0.101 0.000 0.776 370 G HN 0.451 nan 8.290 nan 0.000 0.542 371 T N 1.354 115.883 114.554 -0.041 0.000 2.737 371 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 371 T C 2.390 177.096 174.700 0.011 0.000 1.038 371 T CA 0.950 63.042 62.100 -0.013 0.000 1.144 371 T CB -0.155 68.704 68.868 -0.015 0.000 0.866 371 T HN 0.212 nan 8.240 nan 0.000 0.434 372 I N 1.122 121.694 120.570 0.005 0.000 2.208 372 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 372 I C 2.612 178.746 176.117 0.029 0.000 1.097 372 I CA 1.500 62.809 61.300 0.014 0.000 1.363 372 I CB -0.335 37.669 38.000 0.007 0.000 1.051 372 I HN 0.320 nan 8.210 nan 0.000 0.413 373 E N 0.376 120.594 120.200 0.029 0.000 2.110 373 E HA -0.202 4.147 4.350 -0.000 0.000 0.193 373 E C 1.892 178.558 176.600 0.111 0.000 0.988 373 E CA 1.066 57.498 56.400 0.053 0.000 0.804 373 E CB -0.138 29.586 29.700 0.040 0.000 0.745 373 E HN 0.470 nan 8.360 nan 0.000 0.458 374 N N 1.096 119.871 118.700 0.125 0.000 2.084 374 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 374 N C 1.513 177.139 175.510 0.194 0.000 1.030 374 N CA 1.073 54.253 53.050 0.217 0.000 0.849 374 N CB -0.131 38.431 38.487 0.126 0.000 1.012 374 N HN 0.104 nan 8.380 nan 0.000 0.423 375 K N 0.487 120.950 120.400 0.105 0.000 2.147 375 K HA 0.013 4.333 4.320 -0.000 0.000 0.205 375 K C 1.995 178.624 176.600 0.049 0.000 1.049 375 K CA 0.598 56.929 56.287 0.073 0.000 0.936 375 K CB -0.136 32.391 32.500 0.045 0.000 0.722 375 K HN 0.163 nan 8.250 nan 0.000 0.446 376 L N 0.572 121.820 121.223 0.040 0.000 2.156 376 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 376 L C 1.815 178.671 176.870 -0.024 0.000 1.095 376 L CA 0.733 55.579 54.840 0.010 0.000 0.770 376 L CB -0.100 41.966 42.059 0.012 0.000 0.914 376 L HN 0.127 nan 8.230 nan 0.000 0.439 377 L N -0.368 120.840 121.223 -0.025 0.000 2.612 377 L HA 0.024 4.364 4.340 -0.000 0.000 0.230 377 L C 0.294 177.037 176.870 -0.212 0.000 1.140 377 L CA 0.015 54.755 54.840 -0.166 0.000 0.896 377 L CB -0.244 41.644 42.059 -0.285 0.000 1.065 377 L HN 0.169 nan 8.230 nan 0.000 0.447 378 K N -1.375 118.992 120.400 -0.054 0.000 3.162 378 K HA -0.210 4.110 4.320 -0.000 0.000 0.268 378 K C -0.536 176.121 176.600 0.094 0.000 1.062 378 K CA 0.476 56.757 56.287 -0.010 0.000 0.769 378 K CB -1.312 31.153 32.500 -0.059 0.000 1.274 378 K HN 0.247 nan 8.250 nan 0.000 0.478 379 W N 0.000 121.294 121.300 -0.010 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.340 57.345 -0.009 0.000 1.226 379 W CB 0.000 29.455 29.460 -0.009 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535